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    Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. Int. Ed. - 2024. - Vol. 63, Is. 7. - Ст. e202318401, DOI 10.1002/anie.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 1433-7851. - ISSN 1521-3773
   Перевод заглавия: Реализация постоянной нулевой сжимаемости в широком диапазоне давлений в Cu2GeO4 с помощью микроскопической стратегии ортогонального плетения
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ~0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
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Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. - 2024. - Vol. 136, Is. 7. - Ст. e202318401, DOI 10.1002/ange.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 0044-8249. - ISSN 1521-3757
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ≈0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
}
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Zero-thermal-quenching broadband yellow-emitting Bi3+-activated phosphors based on metal to metal charge transfer / K. Chen, P. Gao, Z. Zhang [et al.] // J. Alloys Compd. - 2024. - Vol. 986. - Ст. 174112, DOI 10.1016/j.jallcom.2024.174112. - Cited References: 52. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Key R & D Projects in Hunan Province (2021SK2047 and 2022NK2044), the Wangcheng Science and Technology Plan (KJ221017) and the Science and Technology Innovation Program of Hunan Province (2022WZ1022). The work was supported by the Ministry of Science and Higher Education of the Russian Federation as part of World-class Research Center program: "Advanced Digital Technologies", contract no. 075-15-2020-935. Superior Youth Project of the Science Research Project of Hunan Provincial Department of Education (22B0211) . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Bi3+-activated phosphors -- Yellow-emitting -- MMCT -- Zero-thermal-quenching -- WLED
Аннотация: Bi3+-activated phosphors have been proven to have potential applications foreground in white light-emitting diodes (WLED), plant growth lamps and temperature sensing. Therefore, it is urgent to exploit high-efficiency Bi3+-activated phosphors. Herein, a novel broadband yellow-emitting phosphor Ba2GdGaO5:Bi3+ with high internal quantum efficiency (IQE = 77%) was obtained based on metal to metal charge transfer (MMCT) between Bi3+ ground state and Gd3+ excited states. The photoluminescence excitation (PLE) spectrum and photoluminescence (PL) spectrum range from 225 nm to 400 nm and 400 nm to 700 nm, respectively, which can avoid the reabsorption phenomenon efficiently. Besides, Ba2GdGaO5:Bi3+ has superior thermal stability and it shows zero-thermal-quenching at 150 °C. The K+ doping hardly changes the thermal stability and can improve the PL intensity to 133.1% when the K+ concentration is 2%. Finally, a phosphor-convert WLED (pc-WLED) was simply synthesized by Ba2GdGaO5:Bi3+ and BaMgAl10O17:Eu2+ (BAM:Eu2+) phosphors. The doping of Eu3+ can significantly enhance the color rendering index (CRI, from 88.1 to 91.5) and reduce the correlated color temperature (CCT, from 4911 K to 4014 K). The above experimental results demonstrated that the phosphor has great application prospect in WLED.

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Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, PR China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha, 410128, PR China
World-Class Research Center “Advanced Digital Technologies”, University of Tyumen, Tyumen 625003, Russia

Доп.точки доступа:
Chen, K.; Gao, P.; Zhang, Z.; Ma, Y.; Luo, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Zh.; Xia, M.
}
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    Two organic-inorganic manganese(II) halide hybrids containing protonated N,N’-dialkylthioureas with efficient green-emission / N. N. Golovnev, M. A. Gerasimova, I. A. Ostapenko [et al.] // J. Mol. Struct. - 2023. - Vol. 1277. - Ст. 134851, DOI 10.1016/j.molstruc.2022.134851. - Cited References: 42. - The reported study was funded by RFBR according to the research project № 19-52-80003. X-ray data from single crystals and powders were obtained with the analytical equipment of Krasnoyarsk Center of collective use of SB RAS . - ISSN 0022-2860
   Перевод заглавия: Два металорганических галогенида марганца(II), содержащие протонированные N,N'-диалкилтиомочевины с эффективным зеленым излучением
Кл.слова (ненормированные):
Zero-dimensional hybrid manganese(II) halides -- N,N′-alkylthioureas -- Synthesis -- Structure -- Photoluminescence -- Quantum yield -- X-ray diffraction
Аннотация: Luminescent (C5H13N2S)2[MnBr4] (1) and (C7H17N2S)2[MnBr4] (2) (C5H12N2S = N,N′-diethylthiourea, C7H16N2S = N,N′-diisopropylthiourea) were prepared via solvothermal method, and the structures of these compounds have been resolved using X-ray single crystal diffraction. The structures consist of electrostatically bound MnBr42− anions and organic C5H13N2S+ and C7H17N2S+ cations. The intermolecular N−H···Br and N−H···S hydrogen bonds additionally stabilize crystal structures of 1-2. Upon excitation over broadband covering the range 265 to 515 nm, these compounds show green emission peaking at 526 nm for 1 and 522 nm for 2, which is assigned to the 4T1→ 6A1 electronic transition of Mn2+ from isolated within the crystal structures MnBr42− tetrahedra. The photoluminescence quantum yield (PLQY) of powder 1 is 97 ± 7% for excitation at 440 nm and that of powder 2 is 83 ± 7% for excitation at 365 nm. The high PLQY indicates the absence of noticeable concentration quenching at shortest Mn···Mn distance of 8.11 and 8.73 Å between Mn2+ ions within the structures of 1 and 2. The high-performance photoluminescence of 0D (C5H13N2S)2[MnBr4] and (C7H17N2S)2[MnBr4] compounds demonstrated promising applications in photonics.

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Держатели документа:
Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russia

Доп.точки доступа:
Golovnev, Nicolay N.; Gerasimova, Marina A.; Ostapenko, Ivan A.; Zolotov, Andrey O.; Molokeev, M. S.; Молокеев, Максим Сергеевич
}
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    Achieving excellent thermostable red emission in singly Mn2+-doped near zero thermal expansion (NZTE) material Li2Zn3(P2O7)2 / Q. Liu, P. Dang, G. Zhang [et al.] // J. Mater. Chem. C. - 2023. - Vol. 11, Is. 31. - P. 10684-10693, DOI 10.1039/D3TC01683H. - Cited References: 62. - This work wasfinancially supported by the National Science and Technology Major Project (2022YFB3503800), the Projects for Science and Technology Development Plan of Jilin Province (20210402046GH), the National Natural Science Foundation of China (NSFC No. 51932009, 51929201, 52072349, 52172166), the Natural Science Foundation of Zhejiang Province (LR22E020004), the Project funded by China Postdoctoral Science Foundation (2022TQ0365), and the Ministry of Science and High Education of Russian Federation (Project No. FSRZ2023-0006), M.S. Molokeev and S.P. Polyutov acknowledge the support by the Ministry of Science and High Education of Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Достижение превосходной термостабильной красной эмиссии в однократно легированном Mn2+ материале с почти нулевым тепловым расширением (NZTE) Li2Zn3(P2O7)2
Аннотация: The design of thermostable phosphor is still a pivotal challenge in pc-WLED applications. Herein, an efficient strategy is proposed to design excellent thermostable red emission in singly Mn2+-doped near zero thermal expansion (NZTE) material Li2Zn3(P2O7)2. Under the excitation of 412 nm wavelength, the emission could be tuned from 636 to 672 nm by increasing the Mn2+ doping level via synthetic effect among crystal field, the exchange coupling interaction in Mn-Mn dimers and energy transfer in different luminescence centers. The PL intensity of LZPO:Mn2+ maintains 97% at 150 °C and 94% at 200 °C of initial intensity at the room temperature. During the heat process, the LZPO presents near zero thermal expansion, which contributes to the nearly unaffected PL intensity. The traps assist energy transfer to luminescent center is also compensated for the emission loss. This work not only offers a perspective idea for elucidating the correlation between crystal structure and optical properties, but also opens a new way in line with that of designing excellent thermostable luminescent materials based on NZTE materials in self-reduction system.

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Держатели документа:
State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun 130022, P. R. China
School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, P. R. China
Faculty of Materials Science and Chemistry, China University of Geoscience, Wuhan 430074, P. R. China
International Research Center of Spectroscopy and Quantum Chemistry — IRC SQC, Siberian Federal University, Krasnoyarsk, 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Zhejiang Institute, China University of Geosciences, Hangzhou, 311305, P. R. China

Доп.точки доступа:
Liu, Qin; Dang, Peipei; Zhang, Guodong; Molokeev, M. S.; Молокеев, Максим Сергеевич; Polyutov, Sergey; Lian, Hongzhou; Cheng, Ziyong; Li, Guogang; Lin, Jun
}
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    Integration of negative, zero and positive linear thermal expansion makes borate optical crystals light transmission temperature-independent / X. Jiang, N. Wang, L. Dong [et al.] // Mater. Horizons. - 2022. - Vol. 9, Is. 8. - P. 2207-2214, DOI 10.1039/d2mh00273f. - Cited References: 50. - The authors acknowledge Zhuohong Yin for useful discussions and Anqi Dai from Guangzhou Design Institute for image processing. This work was supported by the National Scientific Foundations of China (Grants 11974360 and 51872297), the Young Elite Scientist Sponsorship Program by CAST (YESS), Key deployment projects of Rare Earth Research Institute (Grant ZDRW-CN-2021-3), and the CAS Project for Young Scientists in Basic Research (Grants YSBR-024) . - ISSN 2051-6347
   Перевод заглавия: Суммирование отрицательного, нулевого и положительного линейного теплового расширения делает светопропускание оптических кристаллов бората независимым от температуры
Кл.слова (ненормированные):
Lattice vibrations -- Light transmission -- Chemical component -- Harmful effects -- HEAT cool -- Heat expansion -- Linear thermal expansions -- Optical crystals -- Physico-chemical mechanisms -- Temperature independents -- Thermal excitation -- Zero thermal expansion -- Thermal expansion
Аннотация: Negative and zero thermal expansion (NTE and ZTE) materials are widely adopted to eliminate the harmful effect from the “heat expansion and cool contraction” effect and frequently embrace novel fundamental physicochemical mechanisms. To date, the manipulation of NTE and ZTE materials has mainly been realized by chemical component regulation. Here, we propose another method by making use of the anisotropy of thermal expansion in noncubic single crystals, with maximal tunability from the integration of linear NTE, ZTE and positive thermal expansion (PTE). We demonstrate this concept in borate optical crystals of AEB2O4 (AE = Ca or Sr) to make the light transmission temperature-independent by counterbalancing the thermal expansion and thermo-optics coefficient. We further reveal that such a unique thermal expansion behavior in AEB2O4 arises from the synergetic thermal excitation of bond stretching in ionic [AEO8] and rotation between covalent [BO3] groups. This work has significant implications for understanding the thermal excitation of lattice vibrations in crystals and promoting the functionalization of anomalous thermal expansion materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
University of the Chinese Academy of Sciences, Beijing, 100049, China
School of Science, Jiangsu University of Science and Technology, Zhenjiang, 212100, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
School of Materials Science and Engineering, TKL of Metal and Molecule-Based Material Chemistry, Nankai University, Tianjin, 300350, China

Доп.точки доступа:
Jiang, X.; Wang, N.; Dong, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, S.; Liu, Y.; Guo, S.; Li, W.; Huang, R.; Wu, S.; Li, L.; Lin, Z.
}
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    Ligand engineering triggered efficiency tunable emission in zero-dimensional manganese hybrids for white light-emitting diodes / Q. Ren, J. Zhang, Y. Mao [et al.] // Nanomaterials. - 2022. - Vol. 12, Is. 18. - Ст. 3142, DOI 10.3390/nano12183142. - Cited References: 38. - This work was supported by the Natural Science Foundation of Shanxi Province (No. 20210302124054), National Natural Science Foundation of China (No. 21871167), Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (No. 2021L262), 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (No.2021XSY040), and funded by RFBR according to the research project No. 19−52−80003 . - ISSN 2079-4991
   Перевод заглавия: Лигандная инженерия триггерной эффективности перестраиваемой люминесценции в нульмерных гибридах марганца для белых диодов
Кл.слова (ненормированные):
zero-dimensional manganese bromides -- steric configurations -- tunable emission -- white light-emitting diodes
Аннотация: Zero-dimensional (0D) hybrid manganese halides have emerged as promising platforms for the white light-emitting diodes (w-LEDs) owing to their excellent optical properties. Necessary for researching on the structure-activity relationship of photoluminescence (PL), the novel manganese bromides (C13H14N)2MnBr4 and (C13H26N)2MnBr4 are reported by screening two ligands with similar atomic arrangements but various steric configurations. It is found that (C13H14N)2MnBr4 with planar configuration tends to promote a stronger electron-phonon coupling, crystal filed effect and concentration-quenching effect than (C13H26N)2MnBr4 with chair configuration, resulting in the broadband emission (FWHM = 63 nm) to peak at 539 nm with a large Stokes shift (70 nm) and a relatively low photoluminescence quantum yield (PLQY) (46.23%), which makes for the potential application (LED-1, Ra = 82.1) in solid-state lighting. In contrast, (C13H26N)2MnBr4 exhibits a narrowband emission (FWHM = 44 nm) which peaked at 515 nm with a small Stokes shift (47 nm) and a high PLQY of 64.60%, and the as-fabricated white LED-2 reaches a wide colour gamut of 107.8% National Television Standards Committee (NTSC), thus highlighting the immeasurable application prospects in solid-state display. This work clarifies the significance of the spatial configuration of organic cations in hybrids perovskites and enriches the design ideas for function-oriented low-dimensional emitters.

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Держатели документа:
Key Laboratory of Magnetic Molecules and Magnetic Information Materials (Ministry of Education), School of Chemistry and Material Science, Shanxi Normal University, Taiyuan, 030031, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Key Laboratory of Interface Science and Engineering in Advanced Material (Ministry of Education), College of Chemistry Chemical Engineering, Taiyuan University of Technology, Taiyuan, 030024, China

Доп.точки доступа:
Ren, Q.; Zhang, J.; Mao, Y.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, G.; Zhang, X. -M.
}
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    Zero-Dimensional Organic Copper(I) Iodide Hybrid with High Anti-Water Stability for Blue-Light-Excitable Solid-State Lighting / B. Su, J. Jin, Y. Peng [et al.] // Adv. Opt. Mater. - 2022. - Vol. 10, Is. 12. - Ст. 2102619, DOI 10.1002/adom.202102619. - Cited References: 55. - This work was supported by the National Natural Science Foundation of China (Nos.: 51961145101 and 51972118), Guangzhou Science & Technology Project (202007020005), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(2017BT01×137). This work was also funded by RFBR according to the research Project No.19-52-80003 . - ISSN 2195-1071
   Перевод заглавия: Нульмерный металлорганический гибрид йодида меди(I) с высокой водостойкостью для ламп, возбуждаемых синим светом
Кл.слова (ненормированные):
anti-water stability -- copper(I) iodide cluster -- light-emitting diodes -- photoluminescence -- zero-dimensional metal halides
Аннотация: The discovery of rare-earth free luminescent materials with blue-light-excitable characteristic is of great importance for solid-sate lighting applications. Herein, a Cu(I)-based 0D luminescent hybrid (1,3-dppH2)2Cu4I8∙H2O is synthesized by a facile solution method, and it shows the orange-red emission peaking at 625 nm upon 460 nm excitation. The structure-related luminescence mechanism has been elaborated by experimental and theoretical investigations. Moreover, the emission intensity remains unchanged even after continuous water treatment for 60 days due to the improved structural stability originating from intermolecular π–π interaction between organic cations. A warm white light-emitting diode (LED) device with the color rendering index of 91.4% has been fabricated by combining the 440 nm LED chip, green-emitting Lu3Al5O12:Ce3+, and (1,3-dppH2)2Cu4I8∙H2O. This work provides a new design route towards 0D cuprous halide materials and will initiate more exploration of their intrinsic luminescence mechanism.

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Держатели документа:
The State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, China
School of Physics and Optoelectronics, South China University of Technology, Guangzhou, 510641, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation

Доп.точки доступа:
Su, B.; Jin, J.; Peng, Y.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yang, X.; Xia, Z.
}
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    Machine learning analysis and discovery of zero-dimensional ns2 metal halides toward enhanced photoluminescence quantum yield / M. S. Molokeev, B. B. Su, A. S. Aleksandrovsky [et al.] // Chem. Mat. - 2022. - Vol. 34, Is. 2. - P. 537-546, DOI 10.1021/acs.chemmater.1c02725. - Cited References: 66. - This work is supported by the National Natural Science Foundation of China (51961145101 and 51972118), International Cooperation Project of National Key Research and Development Program of China (2021YFE0105700), Guangzhou Science and Technology Project (202007020005), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project no. 19-52-80003 . - ISSN 0897-4756. - ISSN 1520-5002
   Перевод заглавия: Машинное обучение и открытие нульмерных ns2 металлогалогенидов для увеличения квантового выхода фотолюминесценции

РУБ Chemistry, Physical + Materials Science, Multidisciplinary
Рубрики:
RANDOM FOREST
   CRYSTAL-STRUCTURE
   TIN BROMIDE
   CLASSIFICATION
Аннотация: The dependence of photoluminescence quantum yield (PLQY) on the crystal structure of existing zero-dimensional ns2 metal halides is analyzed with the help of principal component analysis and random forest methods. The primary role of the distance between metal ions in different compounds is revealed, and the influence of other structural features such as metal-halogen distance and the distortion of metal-halogen polyhedrons are quantified. Accordingly, the two previously unknown Sb3+-based zero-dimensional metal halides were synthesized to verify the obtained model. Experimental studies of the two compounds demonstrated good agreement with the predictions, and the PLQY of (C10H16N)2SbCl5 is found to be 96.5%. Via machine learning analysis, we demonstrate that concentration quenching is the main factor that determines PLQY for all s2 ion metal halides, which will accelerate the discovery of new luminescence metal halides.

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Держатели документа:
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangdong Prov Key Lab Fiber Laser Mat & Appl Tec, Sch Mat Sci & Engn, Guangzhou 510641, Peoples R China.
RAS, KSC, SB, Lab Coherent Opt,Kirensky Inst Phys,Fed Res Ctr, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Kemerovo State Univ, Dept Res & Dev, Kemerovo 650000, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Su, Binbin; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Golovnev, Nicolay N.; Plyaskin, M. E.; Пляскин, Михаил Е.; Xia, Zhiguo
}
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10.

    Coordination units of Mn2+ modulation toward tunable emission in zero-dimensional bromides for white light-emitting diodes / G. J. Zhou, J. L. Ding, X. X. Jiang [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 6. - P. 2095-2102, DOI 10.1039/d1tc05680h. - Cited References: 57. - The present work was supported by the Natural Science Foundation of China (21871167), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), the Beijing Natural Science Foundation (No. 2214068) and funded by RFBR according to the research project no. 19-52-80003 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Модуляция координационных блоков с Mn2+ для управляемой люминесценции в нульмерных бромидах для белых светодиодов

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
HALIDE PEROVSKITE NANOCRYSTALS
RECENT PROGRESS
DOPING MN2+
Аннотация: Organic–inorganic metal halides have become a multifunctional platform for manipulating photoluminescence due to highly efficient and tunable emissions, especially for lead-free Mn2+-based halides. Herein, the zero-dimensional (0D) bromides of (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 with different coordination environments were designed and synthesized by a solvent evaporation method. They exhibit green and red broadband emission peaks at 528 nm and 627 nm with high photoluminescence quantum yields of 86.83% and 61.91%, respectively, which are attributed to the d–d transition (4T1(G) → 6A1(S)) of [MnBr4]2− tetrahedral and [Mn3Br12]6− octahedral units. The cases emphasize the effect of organic ligands on the intrinsic emissions of Mn2+ ions, thereby revealing the luminescence mechanism of Mn2+ ions in 0D isolated structures through the Tanabe–Sugano (TS) energy diagram. Thanks to their bright and stable emissions, the fabricated white light-emitting diode (LED) based on (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 provides an outstanding color rendering index (Ra) of 90.8 at a correlated color temperature (CCT) of 3709 K, along with the CIE chromaticity coordinates of (0.3985, 0.3979) and a luminous efficacy of 51.2 lm W−1. This work aims at clarifying the relationship between the coordination units of Mn2+ and tunable emissions, and in particular, proposes a new strategy to explore phosphors excited by blue light for white LEDs.

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Держатели документа:
Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Taiyuan 030006, Peoples R China.
Chinese Acad Sci, China Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Taiyuan Univ Technol, Coll Chem & Chem Engn, Key Lab Interface Sci & Engn Adv Mat, Minist Educ, Taiyuan 030024, Shanxi, Peoples R China.

Доп.точки доступа:
Zhou, Guojun; Ding, Jialiang; Jiang, Xingxing; Zhang, Jian; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ren, Qiqiong; Zhou, Jun; Li, Shili; Zhang, Xian-Ming
}
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11.

    Unveiling the uncommon blue-excitable broadband yellow emission from self-trapped excitons in a zero-dimensional hybrid tellurium-based double perovskite / Y. Mao, J. Zhang, Q. Ren [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 46. - P. 17638-17645, DOI 10.1039/d2tc03150g. - Cited References: 56. - This work was supported by the Natural Science Foundation of Shanxi Province (No. 20210302124054), the National Natural Science Foundation of China (No. 21871167), the Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (No. 2021L262), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (No. 2021XSY040), and funded by RFBR according to the research project no. 19-52-80003 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Обнаружение необычного широкополосного желтого излучения автолокализованных экситонов при накачке синим светом в нульмерном гибридном галогениде теллура
Аннотация: Low-dimensional metal halides with ns2 lone-pair electrons have been recognized as new generation luminescent emitters for various optoelectronic applications. However, 5s2 configuration tellurium halides have not received substantial attention despite their fascinating photoluminescence (PL) properties. Here, a hybrid tellurium-based double perovskite of (C20H20P)2TeCl6 is developed, in which the [TeCl6]2− octahedra are completely surrounded by [C20H20P]+ organic cations to form a unique zero-dimensional (0D) “host–guest” structure. An uncommon broadband yellow emission peaking at 570 nm with ultra-broad excitation from ultraviolet to blue light is excavated, which originates from the triplet self-trapped exciton (STE) emission of Te4+. Moreover, the 5s2 electronic transition mechanism of Te4+ is systematically revealed in depth, benefiting from the temperature-dependent fluorescence dynamic analysis and auxiliary theoretical calculations. It is concluded that the distortion degree of the [TeCl6]2− octahedron comprehensively affects the full width at half-maximum (FWHM) (positive correlation), Stokes shift (negative correlation) and PL intensity (negative correlation) with increasing temperatures. This work sheds new light on the PL behaviour of Te4+ and opens up a feasible avenue for blue-excitable broadband emissions in low-dimensional organic–inorganic hybrid double perovskites.

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Держатели документа:
Key Laboratory of Magnetic Molecules and Magnetic Information Materials (Ministry of Education), School of Chemistry and Material Science, Shanxi Normal University, Taiyuan, 030031, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
College of Chemistry & Chemical Engineering, Key Laboratory of Interface Science and Engineering in Advanced Material, Ministry of Education, Taiyuan University of Technology, Taiyuan, 030024, China

Доп.точки доступа:
Mao, Y.; Zhang, J.; Ren, Q.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, G.; Zhang, X. -M.
}
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12.

Shustin, M. S.
Effect of strong intersite Coulomb interaction on the topological properties of a superconducting nanowire / M. S. Shustin, S. V. Aksenov // Phys. Solid State. - 2022. - Vol. 64, Is. 13. - P. 2047-2053, DOI 10.21883/PSS.2022.13.53972.23s. - Cited References: 55. - This study was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory and the Krasnoyarsk Regional Fund of Science, projects nos. 20-42-243001 and 20-42-243005. M.S.S. thanks the Foundation for the Advancement of Theoretical Physics and Mathematics ”BASIS“. S.V.A. is grateful to the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools, project No. MK-1641.2020.2 . - ISSN 1063-7834. - ISSN 1090-6460
Кл.слова (ненормированные):
superconducting nanowires -- Majorana zero modes -- strong electron correlations
Аннотация: For superconducting nanowire with the pairing of extended s-type symmetry, Rashba spin-orbit interaction in a magnetic field, the influence of strong intersite charge correlations on single-particle Majorana excitations is analyzed. This problem is investigated on the basis of the density matrix renormalization group numerical method. It is shown that with an increase in the repulsion intensity of electrons located at the neighboring sites, two subbands emerge in the lower Hubbard band of the open system. Based on calculations of the Majorana polarization and degeneracy of the entanglement spectrum, it was found that a topologically nontrivial phase with one edge state survives at the edge of each of the subbands where the concentration of electrons or holes is minimal.

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Публикация на русском языке Шустин, Максим Сергеевич. Влияние сильного межузельного кулоновского взаимодействия на топологические свойства сверхпроводящей нанопроволоки [Текст] / М. С. Шустин, С. В. Аксенов // Физ. тверд. тела. - 2021. - Т. 63 Вып. 11. - С. 1758-1765

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Aksenov, S. V.; Аксенов, Сергей Владимирович; Шустин, Максим Сергеевич
}
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13.

    Zn3GaB6O12As and Zn4P6N12S: Isotropic zero thermal expansion materials based on the "cage-restricting" model / Y. Liu, X. Jiang, M. S. Molokeev [et al.] // Chem. Mater. - 2022. - Vol. 34, Is. 22. - P. 9915-9922, DOI 10.1021/acs.chemmater.2c01947. - Cited References: 41. - This work was supported by the National Scientific Foundation of China (grant nos 12274425, 51872297, 11974360, and 51890864) and Fujian Institute of Innovation (FJCXY18010201) in CAS. X.X.J. acknowledges the support from Youth Talent Promotion Project from China Association for Science and Technology and the CAS Project for Young Scientists in Basic Research (grant YSBR-024) . - ISSN 0897-4756
   Перевод заглавия: Zn3GaB6O12As и Zn4P6N12S: изотропные материалы с нулевым тепловым расширением на основе модели «ограничения клетки»
Кл.слова (ненормированные):
Coefficient-of-thermal expansion -- Engineering fields -- Isotropics -- Material-based -- Molecular engineering -- Scientific fields -- Size invariants -- Temperature range -- Thermal expansion behavior -- Zero thermal expansion
Аннотация: With the capability to keep the size invariant along all dimensions over a certain temperature range, isotropic zero thermal expansion (ZTE) materials have been attracting wide interest in many scientific and engineering fields. Herein, based on the “cage-restricting” model for the ZTE materials with β-sodalite-like structures, we design and synthesize two new isotropic ZTE materials, Zn3GaB6O12As (ZGBA) and Zn4P6N12S (ZPNS), from the molecular engineering strategies of enhancing the cage-restricting force and of increasing the rigidity of β-sodalite cages, respectively. ZGBA and ZPNS exhibit isotropic ZTE behaviors in the temperature range from 20 to 300 K, with the coefficients of thermal expansion 1.18(17)/MK and 1.37(17)/MK, respectively, both of which are lowered by ∼30–20% in comparison with their template compound Zn4B6O12S (ZBS). The mechanisms of improved isotropic ZTE in ZGBA and ZPNS are unraveled by lattice dynamic analysis and temperature-dependent crystal structure evolution. This study paves new avenues to enhance the ZTE behavior in the materials with cage-like structures and has great implication on the exploration of isotropic ZTE materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Liu, Y.; Jiang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, X.; Lin, Z.
}
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14.

Triplet-triplet energy transfer from Bi3+to Sb3+in zero-dimensional indium hybrids via a B-site co-doping strategy toward white-light emission / Q. Ren, J. Zhang, M. S. Molokeev [et al.] // Inorg. Chem. Front. - 2022. - Vol. 9, Is. 22. - P. 5960-5968, DOI 10.1039/d2qi01631a. - Cited References: 60. - This work was supported by the Natural Science Foundation of Shanxi Province (No. 20210302124054), the National Natural Science Foundation of China (No. 21871167), the Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (No. 2021L262), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (No. 2021XSY040), and funded by RFBR according to the research project No. 19-52-80003 . - ISSN 2052-1553
Кл.слова (ненормированные):
Co-doping -- Doping strategies -- Lightemitting diode -- Lone pair -- Low dimensional -- Photoluminescence properties -- Triplet-triplet energy transfer -- White light emission -- Widely tunable -- Zero-dimensional -- Metal halides
Аннотация: Low-dimensional metal halides have emerged as promising platforms for the development of new-generation phosphor-converted light emitting diodes (pc-LEDs), in which zero-dimensional (0D) hybrids with lone-pair ns2 states, in particular, show unprecedented competitiveness owing to their fascinating photoluminescence (PL) properties. Herein, we designed a novel 0D indium hybrid, (C20H20P)2InCl5, and proposed a co-doping strategy to incorporate Bi3+ (6s2) and Sb3+ (5s2) ions into this indium hybrid. Widely tunable emissions from blue to red are achieved, which are assigned to the triplet self-trapped excitons (STEs) (3P1 → 1S0) of Bi3+ (476 nm) and Sb3+ (658 nm), respectively. Importantly, an uncommon triplet–triplet energy transfer from Bi3+ to Sb3+ contributes to tunable dual emissions, and enables a single-phase cool white-light emission under ultraviolet (UV) excitation. Moreover, the energy transfer mechanism is discussed clearly by fluorescence photon dynamic analysis and DFT calculations. This work provides a deeper insight into triplet–triplet energy transfer, as well as presents a new model system for tuning the PL behaviours of ns2 configuration dopants.

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Держатели документа:
Key Laboratory of Magnetic Molecules and Magnetic Information Materials (Ministry of Education), School of Chemistry and Material Science, Shanxi Normal University, Taiyuan, 030031, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
College of Chemistry & Chemical Engineering, Key Laboratory of Interface Science and Engineering in Advanced Material, Ministry of Education, Taiyuan University of Technology, Shanxi, Taiyuan, 030024, China

Доп.точки доступа:
Ren, Q.; Zhang, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, G.; Zhang, X. -M.
}
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15.

    Sequential and reversible phase transformations in zero-dimensional organic-inorganic hybrid Sb-based halides towards multiple emissions / B. Li, J. Jin, M. Yin [et al.] // Angew. Chem. Int. Ed. - 2022. - Vol. 61, Is. 49. - Ст. e202212741, DOI 10.1002/anie.202212741. - Cited References: 35. - This work was supported by the National Natural Science Foundation of China (Grants No. 22171040 and 51961145101), and the Fundamental Research Funds for the Central Universities, China (No. N2105006) . - ISSN 1433-7851
   Перевод заглавия: Последовательные и обратимые фазовые превращения в нульмерных органо-неорганических гибридных галогенидах на основе Sb для множественных эмиссий
Кл.слова (ненормированные):
Anti-Counterfeiting -- Luminescence -- Metal Halides -- Phase Transformation
Аннотация: Zero-dimensional (0D) metal halides have drawn increasing attention due to the attractive structure dependent photoluminescence (PL) properties. Here, we report two new 0D organic–inorganic hybrid Sb-based halides, (MTP)6SbBr6Sb2Br9⋅H2O (MTP=Methyltriphenylphosphonium, crystal 1) and (MTP)2SbBr5 (crystal 2), featuring a reversible structural phase transformation and tunable orange and red emissions upon dehydration and rehydration of H2O molecules. Intriguingly, a subsequent heat treatment further enables the formation of glassy state (MTP)2SbBr5 (glass 3) with near-infrared luminescence, moreover, a sequential reverse phase transformation from glass 3 to crystal 2 and 1 is triggered by acetonitrile and water vapor stepwise. The anti-counterfeiting demo based on the tunable and reversible PL switching is finally achieved and thus the phase structure engineering in 0D metal halides expands their multiple applications in optical fields.

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Держатели документа:
Department of Chemistry, College of Sciences, Northeastern University, Liaoning, Shenyang, 110819, China
School of Physics and Optoelectronics, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou, 510641, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Li, B.; Jin, J.; Yin, M.; Zhang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Z.; Xu, Y.
}
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16.

    Manipulation of Cl/Br transmutation in zero-dimensional Mn2+-based metal halides toward tunable photoluminescence and thermal quenching behaviors / G. J. Zhou, Z. Y. Liu, M. S. Molokeev [et al.] // J. Mater. Chem. C. - 2021. - Vol. 9, Is. 6. - P. 2047-2053, DOI 10.1039/d0tc05137c. - Cited References: 56. - The present work was financially supported by the Natural Science Foundation of China (21871167), and 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), and funded by RFBR according to the research project no. 19-52-80003 . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Манипуляции перестановок Cl/Br в нульмерных галогенидах металлов на основе Mn2+ для настраиваемой фотолюминесценции и ослабления термического тушения

РУБ Materials Science, Multidisciplinary + Physics, Applied

Аннотация: Low-dimensional-networked metal halides are attractive for the screening of emitters applied in solid-state lighting and displays, but the lead toxicity and poor stability are obstacles that must be overcome in industrial applications. Herein, we aim at the discovery of bright and stable photoluminescence in zero-dimensional (0D) Mn2+-based metal halides. By manipulation of Cl/Br transmutation, the nature of the halogen can be confirmed as a pivotal factor to tune the PL behaviors, and the optimum Mn2+ emission with a high PLQY of 99.8% and a short lifetime of 0.372 ms can be achieved in (C24H20P)2MnBr4. The thermal quenching behaviors have been discussed in depth, indicating that the synergistic effect of good chemical stability of organic groups, a long Mn⋯Mn distance of 10.447 Å and a relatively large activation energy (ΔE = 0.277 eV) provides a platform for achieving excellent thermal stability in (C24H20P)2MnBr4. Moreover, the as-fabricated white LED device with a high luminous efficacy of 118.9 lm W−1 and a wide color gamut of 105.3% National Television System Committee (NTSC) shows that (C24H20P)2MnBr4 can be employed as a desirable narrow-band green emitter for LED displays. This work provides a new understanding of fine tailoring halogens, and proposes a feasible approach to achieving high thermal stability emitters toward the targeted practical applications.

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Держатели документа:
Shanxi Normal Univ, Sch Chemist & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Linfen 041004, Shanxi, Peoples R China.
Huazhong Univ Sci & Technol, Wuhan Natl Lab Optoelect, Wuhan 430074, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangzhou 510641, Peoples R China.
South China Univ Technol, Inst Opt Commun Mat, Guangzhou 510641, Peoples R China.

Доп.точки доступа:
Zhou, Guojun; Liu, Zhiyang; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xiao, Zewen; Xia, Zhiguo; Zhang, Xian-Ming
}
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17.

Near zero thermal expansion in metal matrix composites based on intermediate valence systems: Al/SmB6 / D. A. Serebrennikov, A. A. Bykov, A. L. Trigub [et al.] // Results Phys. - 2021. - Vol. 21. - Ст. 103843, DOI 10.1016/j.rinp.2021.103843. - Cited References: 45. - This work was supported by the Russian Foundation for Basic Research , grant 18-32-00583 mol_a and by the State assignment of Russia , project FZWM-2020-0008. We are grateful to V.N. Leitsin for his support in the experimental studies . - ISSN 2211-3797
Кл.слова (ненормированные):
Metal-matrix composites (MMCs) -- Intermediate valence systems -- Negative thermal expansion -- Invar alloys
Аннотация: This work is focused on the fabrication and characterization of a new type of composite invar materials combining near-zero thermal expansion and functional properties that are important for applications. This is accomplished through the use of particles of SmB6, an intermediate valence system with negative thermal expansion, embedded in Al matrix. The composite based on SmB6-21 vol% was fabricated by hot pressing and was characterized by XRD, optical/electron microscopy, X-ray computed tomography and capacitive dilatometry. The study of thermal expansion revealed that the sample exhibits invar behaviour up to ~60 K with a zero value of the coefficient of thermal expansion near 45 K. In comparison to pure aluminum, the temperature range has increased by about 20 K. A quantitative analysis of dilatometric experimental data performed on the basis of widely used theoretical models showed that the thermal expansion of the Al/SmB6 composite was well reproduced within the Turner model.

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Держатели документа:
REC “Functional Nanomaterials”, Immanuel Kant Baltic Federal University, Kaliningrad, 236016, Russian Federation
Petersburg Nuclear Physics Institute, Gatchina, 188300, Russian Federation
NRC «Kurchatov Institute», Moscow, 123182, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Vladimir State University, Vladimir, 600000, Russian Federation

Доп.точки доступа:
Serebrennikov, D. A.; Bykov, A. A.; Trigub, A. L.; Kolyshkin, N. A.; Freydman, A. L.; Фрейдман, Александр Леонидович; Aborkin, A. V.; Tovpinets, A. O.; Clementyev, E. S.; Goikhman, A. Y.
}
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18.

    Luminescent zero-dimensional hybrid lead thiohalide nanostructures for high quantum yield and broadband excitation / N. N. Golovnev, A. S. Aleksandrovsky, M. A. Gerasimova [et al.] // ACS Appl. Nano Mat. - 2021. - Vol. 4, Is. 4. - P. 3654-3663, DOI 10.1021/acsanm.1c00162. - Cited References: 55. - This work is supported by the RFBR according to the research project No. 19-52-80003. This work is also supported by the National Natural Science Foundation of China (51961145101). V.M. thanks Russian Foundation for Basic Research (project number 19-03-00043) for funding. The use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged. The authors thank JSCC RAS for providing computational resources . - ISSN 2574-0970
   Перевод заглавия: Наноструктуры люминесцентных нульразмерных гибридных тиогалогенов свинца для высокого квантового выхода и широкополосного спектра возбуждения
Кл.слова (ненормированные):
Zero-dimensional hybrid metal halide -- Luminescence -- Quantum yield -- Mechanochemical synthesis -- X-ray diffraction -- Dimethylthiourea
Аннотация: Luminescent trans-[Pb(DMTU-S)4Cl2] (DMTU: N,N′-dimethylthiourea) was designed and prepared via either mechanochemical or solvothermal methods, and the structures of DMTU and trans-[Pb(DMTU-S)4Cl2] have been resolved using X-ray single-crystal diffraction. Upon excitation over broadband covering the range from 450 to 250 nm, trans-[Pb(DMTU-S)4Cl2] shows yellow-green emission peaking at 549 nm with a spectral width of 110 nm, which is assigned to the triplet–singlet transition of Pb2+ ions within distorted heterogeneous S4Cl2 octahedra. The broadband excitation comprised singlet–singlet transitions of Pb2+ ions and energy transfer from orbitals involving those of organic ligands. Simultaneous analysis of the luminescent bandwidth and Stokes shift gives for Pb2+ ions in S4Cl2 octahedra the value of the Huang–Rhys parameter S = 4.25 and the energy of phonon involved in the formation of the luminescence spectrum of the order of 90 meV. Quantum yield as high as 91% is detected for excitation at 365 nm. This high quantum yield indicates the absence of noticeable concentration quenching at an average distance of 9.4 Å between the Pb2+ ions within the structure of trans-[Pb(DMTU)4Cl2]. The weak spin–orbit intersystem crossing is deduced from a high photoluminescence quantum yield (PLQY) value. Time dependent-density functional theory (TD-DFT) calculations of the nanocluster indicate the red shift of absorption bands in Pb(DMTU)4Cl2 with respect to parent DMTU. The high-performance photoluminescence and stability demonstrated promising applications in photonics.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russian Federation
The State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Technology, South China University of Technology, Guangzhou, 510641, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center, KSC, SB, RAS, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo 650000, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Gerasimova, M. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Mironov, V. A.; Demina, A. V.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич
}
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19.

    Broadband light emitting zero-dimensional antimony and bismuth-based hybrid halides with diverse structures / C. K. Deng, S. Q. Hao, K. J. Liu [et al.] // J. Mater. Chem. C. - 2021. - Vol. 9, Is. 44. - P. 15942-15948, DOI 10.1039/d1tc04198c. - Cited References: 52. - This work was supported by Beijing Municipal Natural Science Foundation (2182080) and the National Natural Science Foundation of China (51972021 and 51702329). The work was partly supported by the Fundamental Research Funds for the Central Universities (FRF-IDRY-19-005) and by the RFBR according to the research project No. 19-52-80003. S. H. and C. W. (DFT calculations) acknowledge support from the Department of Energy, Office of Science Basic Energy Sciences under Grant DE-SC0014520. Access to QUEST, the supercomputing resources facilities at Northwestern University, is also acknowledged . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Широкополосное излучение от нульмерных гибридных галогенидов на основе сурьмы и висмута с разнообразной структурой

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
CRYSTAL-STRUCTURE
   LONE-PAIR
   EMISSION
   PEROVSKITES
   TIN
   LUMINESCENCE
Аннотация: Low-dimensional organic–inorganic metal halides have recently attracted extensive attention because of their various structures and distinguished photoelectric properties. Herein, we report a series of new zero-dimensional organic–inorganic hybrid metal halides: (TMEDA)3Bi2Cl12·H2O, (TMEDA)3Bi2Br12·H2O, (TMEDA)3Sb2Br12·H2O, and (TMEDA)5Sb6Cl28·2H2O [TMEDA = N,N,N′·trimethylethylenediamine]. (TMEDA)3M2X12·H2O (M = Bi or Sb, X = Cl or Br) crystallizes in the monoclinic space group P21/n, and (TMEDA)5Sb6Cl28·2H2O crystallizes in the orthorhombic space group Pnma. (TMEDA)3M2X12 possesses a zero-dimensional structure with the metal halide ions of [MBr6]3− isolated by the organic TMEDA2+ cations. Interestingly, the (TMEDA)5Sb6Cl28·2H2O structure consists of a combination of corner-connected octahedra [Sb4Cl18]6− and edge-shared [Sb2Cl10]4−, which is quite rare. The light emission of all these compounds was measured, and (TMEDA)3Sb2Br12·H2O exhibits the most intense luminescence. Upon 400 nm ultraviolet light excitation, (TMEDA)3Sb2Br12·H2O exhibited strong broadband yellow emission centered at 625 nm with a full-width at half-maximum of ∼150 nm originating from self-trapped excitons. This work suggests the possibility of new types of hybrid halides by introducing different metal centers and probing the structural evolution and photoluminescent properties, serving as a reference for the relationship between structure and luminescent performance and demonstrating their potential use as phosphors in light-emitting diodes.

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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing Municipal Key Lab New Energy Mat & Techno, Beijing 100083, Peoples R China.
Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
RAS, SB, Lab Crystal Phys, Kirensky Inst Phys,Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Linfen 041004, Shanxi, Peoples R China.

Доп.точки доступа:
Deng, Chenkai; Hao, Shiqiang; Liu, Kunjie; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wolverton, Christopher; Fan, Liubing; Zhou, Guojun; Chen, D.a.; Zhao, Jing; Liu, Quanlin; Beijing Municipal Natural Science FoundationBeijing Natural Science Foundation [2182080]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51972021, 51702329]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [FRF-IDRY-19-005]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]; Department of Energy, Office of Science Basic Energy SciencesUnited States Department of Energy (DOE) [DE-SC0014520]
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20.

    Unraveling the ultrafast self-assembly and photoluminescence in zero-dimensional Mn2+-based halides with narrow-band green emissions / G. Zhou, Q. Ren, M. S. Molokeev [et al.] // ACS Appl. Electron. Mater. - 2021. - Vol. 3, Is. 9. - P. 4144-4150, DOI 10.1021/acsaelm.1c00606. - Cited References: 37. - This work is supported by the Natural Science Foundation of China (no. 21871167) and the 1331 project of Shanxi Province and funded by RFBR according to the research project no. 19-52-80003 . - ISSN 2637-6113
   Перевод заглавия: Открытие сверхбыстрой самосборки и фотолюминесценции в галогенидах на основе Mn2+ с нулевой размерностью и узкополосной зеленой эмиссией
Кл.слова (ненормированные):
zero-dimensional Mn2+-based halides -- ultrafast self-assembly -- photoluminescence -- white LEDs -- solid-state displays
Аннотация: The discovery of narrow-band luminescent materials remains an immense challenge to optimize the performance of white light-emitting diodes (LEDs). So far, the zero-dimensional (0D) Mn2+-based halides with near-unity narrow-band emissions have emerged as a class of promising phosphors in solid-state displays, but the related large-scale synthesis strategies have not been proposed and evaluated. Herein, we report an in situ synthetic process of 0D Mn2+-based halides and utilize (C20H20P)2MnBr4 as a case to investigate the photoluminescence characteristics and the structural essence of ultrafast self-assembly. The bright green emission peak at 523 nm with a full width at half maximum of 48 nm for (C20H20P)2MnBr4 is attributed to the d–d transition (4T1–6A1) of tetrahedrally coordinated [MnBr4]2– centers, and the fabricated white LED device shows a wide color gamut of 103.7% National Television System Committee (NTSC) standard. Remarkably, the experimental and theoretical results indicate that there are hydrogen bonding of C–H···Br and weak van der Waals interactions between [C20H20P]+ and [MnBr4]2–, resulting in the root for the realization of ultrafast self-assembly in 0D Mn2+-based halides. This work reveals a feasible and general synthesis method for preparing 0D Mn2+-based halides, thereby providing a possibility for their industrial application in solid-state displays.

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Держатели документа:
Key Laboratory of Magnetic Molecules and Magnetic Information Materials (Ministry of Education), School of Chemistry and Material Science, Shanxi Normal University, Linfen, 041004, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
State Key Lab. of Luminescent Materials and Devices and Institute of Optical Communication Materials, South China University of Technology, Guangzhou, 510641, China
Coll. of Chem. and Chem. Eng., Key Lab. of Interface Sci. and Eng. in Adv. Mat., Min. of Education, Taiyuan University of Technology, Shanxi, Taiyuan, 030024, China

Доп.точки доступа:
Zhou, G.; Ren, Q.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Y.; Zhang, J.; Zhang, X. -M.
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