Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Gerasimova M. A., Molokeev M. S., Plyaskin M. E., Baronin M. E.
Заглавие : Photoluminescence of pefloxacindi-ium manganese(II) and zinc(II) tetrahalides
Место публикации : J. Mol. Struct. - 2022. - Vol. 1248. - Ст.131468. - ISSN 00222860 (ISSN), DOI 10.1016/j.molstruc.2021.131468
Примечания : Cited References: 42. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-43-240007. Authors thank the Centre for Equipment Joint User of School of Petroleum and Natural Gas Engineering of Siberian Federal University, Institute of Chemistry and Chemical Technology SB RAS for their technical support
Аннотация: Mn2+-based hybrid materials have become the hotspot of current research studies owing to their high photoluminescence quantum yield (PLQY), low-cost, environmental friendliness and stability. For the first time, we report the hydrothermal synthesis of two lead-free zero-dimensional luminescent organic-inorganic hybrid compounds, PefH2[MnBr4] (1) and PefH2[MnCl4] (2) (Pef = pefloxacin). They were characterized by elemental analysis, TG-DSC, single-crystal and powder XRD. Compounds 1–2 exhibit a distorted tetrahedral geometry around the manganese(II) metal center, which is isolated from the same centers by bulky pefloxacindi-ium (PefH22+) ions with a Mn···Mn distance of 7.3 Å. Their structures are stabilized by N—H···O, O—H···X (X = Br, Cl), C—H···O and C—H···X hydrogen bands and π–π stacking interaction. Thermal decomposition starts at T › 230°С for 1 and T › 210°С for 2 and proceeds for several stages. Upon UV excitation compounds exhibit a bright green emission with a moderate PLQY of 45% for 1 and 30% for 2. The influence of the halide ion and metal ion on the photoluminescence properties of isostructural compounds PefH2[MX4] (M = Mn, Zn and X = Br, Cl) is discussed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Deng, Chenkai, Hao, Shiqiang, Liu, Kunjie, Molokeev M. S., Wolverton, Christopher, Fan, Liubing, Zhou, Guojun, Chen, D.a., Zhao, Jing, Liu, Quanlin
Заглавие : Broadband light emitting zero-dimensional antimony and bismuth-based hybrid halides with diverse structures
Коллективы : 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]
Место публикации : J. Mater. Chem. C. - 2021. - Vol. 9, Is. 44. - P.15942-15948. - ISSN 2050-7526, DOI 10.1039/d1tc04198c. - ISSN 2050-7534(eISSN)
Примечания : 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
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou G., Ren Q., Molokeev M. S., Zhou Y., Zhang J., Zhang X. -M.
Заглавие : Unraveling the ultrafast self-assembly and photoluminescence in zero-dimensional Mn2+-based halides with narrow-band green emissions
Место публикации : ACS Appl. Electron. Mater. - 2021. - Vol. 3, Is. 9. - P.4144-4150. - ISSN 26376113 (ISSN), DOI 10.1021/acsaelm.1c00606
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Su B., Song G., Molokeev M. S., Golovnev N. N., Lesnikov M. K., Lin Z., Xia Z.
Заглавие : Role of metal-chloride anions in photoluminescence regulations for hybrid metal halides
Место публикации : J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 7. - P.1918-1925. - ISSN 19487185 (ISSN), DOI 10.1021/acs.jpclett.1c00182
Примечания : Cited References: 40. - This work is supported by the National Natural Science Foundation of China (51961145101 and 51972118), the Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science & 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
Аннотация: Organic–inorganic hybrid metal halides with emissive organic cations are of great interest due to their structural diversity and interesting photophysical properties. Here, we assemble emissive organic cations (EnrofloH22+) with different metal–chloride anions (Pb2Cl62– to Bi2Cl104– to SnCl62–) to form the new single crystal phases, and thus the photoluminescence properties of the metal halides, including Stokes shift, full width at half-maximum (FWHM), and photoluminescence quantum yield (PLQY) have been studied accordingly. (EnrofloH2)SnCl6·H2O, as an example, possesses narrow FWHM and high PLQY, which are caused by the strong π–π stacking and inter- and intramolecular hydrogen bonds interactions. Compared with EnrofloH22+ cation in solution, the interactions generate a restraining effect and increase the rigid degree of EnrofloH22+ cation in the bulk single crystals. Our work clarifies the photophysical properties of the EnrofloH22+ organic cations by constructing the inter- and intramolecular interactions and boosts the further study of organic–inorganic hybrid metal halides materials with different luminescence mechanisms.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Huang J., Su B., Song E., Molokeev M. S., Xia Z.
Заглавие : Ultra-broad-band-excitable Cu(I)-based organometallic halide with near-unity emission for light-emitting diode applications
Место публикации : Chem. Mater. - 2021. - Vol. 33, Is. 12. - P.4382-4389. - ISSN 08974756 (ISSN), DOI 10.1021/acs.chemmater.1c00085
Примечания : Cited References: 43. - This research was supported by the National Natural Science Foundation of China (Grant Nos. 51961145101 and 51972118), the Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science and Technology Project (202007020005), International Cooperation Project of National Key Research and Development Program of China (2021YFE0105700), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). The reported study was also funded by RFBR according to research project no. 19-52-80003
Аннотация: Low-dimensional hybrid metal halides demonstrate broad-band emission and high photoluminescence quantum yield (PLQY) acting as excellent candidates for a new generation of luminescent materials in lighting fields. However, most luminescent metal halides can only be excited by ultraviolet radiation, and the discovery of high-efficient emitters with broad-band excitation characteristics, especially upon efficient blue light irradiation, is a challenge. Herein, a zero-dimensional (0D) Cu(I)-based organometallic halide (18-crown-6)2Na2(H2O)3Cu4I6 (CNCI) was prepared with a green emission band centered at 536 nm and a near-unity PLQY (91.8%) upon excitation of 450 nm. Importantly, the ultrabroad excitation band covering a 300-500 nm range was observed in CNCI, and the luminescence mechanism has been discussed in detail. A white light-emitting diode (WLED) was fabricated with high luminous efficiency of 156 lm/W and a high color rendering index of 89.6. This work provides guidance for designing high-performance luminescent metal halides with suitable excitation characteristics and also promotes the application prospects of such materials in WLED fields.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Su, Binbin, Aleksandrovsky A. S., Golovnev, Nicolay N., Plyaskin M. E., Xia, Zhiguo
Заглавие : Machine learning analysis and discovery of zero-dimensional ns2 metal halides toward enhanced photoluminescence quantum yield
Место публикации : Chem. Mat. - 2022. - Vol. 34, Is. 2. - P.537-546. - ISSN 0897-4756, DOI 10.1021/acs.chemmater.1c02725. - ISSN 1520-5002(eISSN)
Примечания : 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
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev, Nicolay N., Gerasimova, Marina A., Ostapenko, Ivan A., Zolotov, Andrey O., Molokeev M. S.
Заглавие : Two organic-inorganic manganese(II) halide hybrids containing protonated N,N’-dialkylthioureas with efficient green-emission
Место публикации : J. Mol. Struct. - 2023. - Vol. 1277. - Ст.134851. - ISSN 0022-2860 (ISSN), DOI 10.1016/j.molstruc.2022.134851
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou G., Wang Y., Mao Y., Guo C., Zhang J., Molokeev M. S., Xia Z., Zhang X.-M.
Заглавие : Temperature/component-dependent luminescence in lead-free hybrid metal halides for temperature sensor and anti-counterfeiting
Колич.характеристики :9 с
Место публикации : Adv. Funct. Mater. - 2024. - Ст.2401860. - Article in press. - ISSN 1616301X (ISSN), DOI 10.1002/adfm.202401860. - ISSN 16163028 (eISSN)
Примечания : Cited References: 89. - G.J.Z. and Y.T.W. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (No.52202177, 22271211), Fundamental Research Program of Shanxi Province (No.20210302124054), Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (No.2021L262), 1331 Project of Shanxi Province, Postgraduate Innovation Project of Shanxi Province (No.2023KY462), and supported by the Ministry of Science and High Education of Russian Federation (No.FSRZ-2023-0006). The authors would like to thank Prof. Haijun Jiao, Leibniz-Institut für Katalyse e.V., Germany, for the theoretical support on the electron-transition mechanism
Аннотация: Hybrid metal halides (HMHs) have emerged as a promising platform for optically functional crystalline materials, but it is extremely challenging to thoroughly elucidate the electron transition coupled to additional ligand emission. Herein, to discover sequences of lead-free HMHs with distinct optically active metal cations are aimed, that is, Sb3+ (5s2) with the lone-pair electron configuration and In3+ (4d10) with the fully-filled electron configuration. (Me2NH2)4MCl6·Cl (Me = −CH3, M = Sb, In) exhibits the superior temperature/component-dependent luminescence behaviors resulting from the competition transition between triplet-states (Tn-S0) self-trapped excitons (STEs) of inorganic units and singlet-state (S1-S0) of organic cations, which is manipulated by the optical activity levels of [SbCl6]3− and [InCl6]3−. The bonding differences between Sb3+/In3+ and Cl− in terms of electronic excitation and hybridization are emphasized, and the different electron-transition mechanisms are established according to the PL spectra at the extreme temperature of 5 to 305 K and theoretical calculations. By fine-tuning the B-site Sb3+/In3+ alloying, the photoluminescence quantum yield (PLQY = 81.5%) and stability are optimized at 20% alloying of Sb3+. This research sheds light on the rules governing PL behaviors of HMHs, as well as exploring the optical-functional application of aviation temperature sensors and access-control systems.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li B., Jin J., Yin M., Zhang X., Molokeev M. S., Xia Z., Xu Y.
Заглавие : Sequential and reversible phase transformations in zero-dimensional organic-inorganic hybrid Sb-based halides towards multiple emissions
Место публикации : Angew. Chem. Int. Ed. - 2022. - Vol. 61, Is. 49. - Ст.e202212741. - ISSN 14337851 (ISSN), DOI 10.1002/anie.202212741
Примечания : 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)
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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Su B., Jin J., Peng Y., Molokeev M. S., Yang X., Xia Z.
Заглавие : Zero-Dimensional Organic Copper(I) Iodide Hybrid with High Anti-Water Stability for Blue-Light-Excitable Solid-State Lighting
Место публикации : Adv. Opt. Mater. - 2022. - Vol. 10, Is. 12. - Ст.2102619. - ISSN 21951071 (ISSN), DOI 10.1002/adom.202102619
Примечания : 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
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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ren Q., Zhang J., Molokeev M. S., Zhou G., Zhang X. -M.
Заглавие : Triplet-triplet energy transfer from Bi3+to Sb3+in zero-dimensional indium hybrids via a B-site co-doping strategy toward white-light emission
Место публикации : Inorg. Chem. Front. - 2022. - Vol. 9, Is. 22. - P.5960-5968. - ISSN 20521553 (ISSN), DOI 10.1039/d2qi01631a
Примечания : 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
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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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li M., Zhou J., Molokeev M. S., Jiang X., Lin Z., Zhao J., Xia Z.
Заглавие : Lead-Free Hybrid Metal Halides with a Green-Emissive [MnBr4] Unit as a Selective Turn-On Fluorescent Sensor for Acetone
Место публикации : Inorg. Chem. - 2019. - Vol. 58, Is. 19. - P.13464-13470. - ISSN 00201669 (ISSN) , DOI 10.1021/acs.inorgchem.9b02374
Примечания : Cited References: 38. - This work is supported by the National Natural Science Foundation of China (Nos. 51722202 and 51972118), Natural Science Foundations of Beijing (2172036), the Fundamental Research Funds for the Central Universities (FRF-TP-18-002C1), and the Guangdong Provincial Science & Technology Project (No. 2018A050506004).
Аннотация: Organic-inorganic hybrid metal halides with zero-dimensional (0D) structure has emerged as a new class of light-emitting materials. Herein, a new lead-free compound (C9NH20)2MnBr4 has been discovered and a temperature-dependent phase transition has been identified for two phases (space group P21/c and C2/c) in which individual [MnBr4]2- anions connect with organic cations, (C9NH20 +) (1-buty-1-methylpyrrolidinium+), forming periodic structure with 0D blocks. A green emission band, peaking at 528 nm with a high photoluminescence quantum efficiency (PLQE) of 81.08%, has been observed at room temperature, which is originated from the 4T1(G) to 6A1 transition of tetrahedrally coordinated Mn2+ ions, as also elaborated by density functional theory calculation. Accordingly, a fast, switchable, and highly selective fluorescent sensor platform for different organic solvents based on the luminescence of (C9NH20)2MnBr4 has been developed. We believe that the hybrid metal halides with high PLQE and the exploration of these as a fluorescence sensor will expand the applications scope of bulk 0D materials for future development.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li, Mingze, Zhou, Jun, Zhou, Guojun, Molokeev M. S., Zhao, Jing, Morad, Viktoriia, Kovalenko, Maksym, V, Xia, Zhiguo
Заглавие : Hybrid Metal Halides with Multiple Photoluminescence Centers
Место публикации : Angew. Chem. Int. Edit. - 2019. - Vol. 58, Is. 51. - P.18670-18675. - ISSN 1433-7851, DOI 10.1002/anie.201911419. - ISSN 1521-3773(eISSN)
Примечания : Cited References: 42. - This work is supported by the National Natural Science Foundation of China (Nos. 51722202 and 51972118), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004) and by European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No. [819740], project SCALE-HALO).
Предметные рубрики: LIGHT EMISSION
PEROVSKITES
BR
Аннотация: Very little is known about the realm of solid‐state metal halide compounds comprising two or more halometalate anions. Such compounds would be of great interest if their optical and electronic properties could be rationally designed. Herein, we report a new example of metal halide cluster‐assembled compound (C9NH20)9[Pb3Br11](MnBr4)2, featuring distinctly different anionic polyhedra, namely, a rare lead halide cluster [Pb3Br11]5− and [MnBr4]2−. In accordance with its multinary zero‐dimensional (0D) structure, this compound is found to contain two distinct emission centers, 565 nm and 528 nm, resulting from the formation of self‐trapped excitons and 4T1‐6A1 transition of Mn2+ ions, respectively. Based on the high durability of (C9NH20)9[Pb3Br11](MnBr4)2 upon light and heat, as well as high photoluminescence quantum yield (PLQY) of 49.8 % under 450 nm blue light excitation, white light‐emitting diodes (WLEDs) are fabricated, showcasing its potential in backlight application.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Kovaleva E. A., Popova M. I., Kholtobina A. S., Mikhaleva N. S., Visotin M. A., Fedorov A. S.
Заглавие : DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН , Russian Science Foundation [16-13-00060]; Russian Foundation for Basic Research [RFBR 16-32-60003 mol_a_dk]
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P.93-96. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2016.12.054. - ISSN 1873-4766(eISSN)
Примечания : Cited References:16. - This work was supported by the Russian Science Foundation, Project no. 16-13-00060. N.S.M. thanks the Russian Foundation for Basic Research, project RFBR 16-32-60003 mol_a_dk, for the financial support of ZrIINF3/INF, TiIINF3/INF and NbIINF3/INF electronic structure calculations
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE
Ключевые слова (''Своб.индексиров.''): transition metal trihalides--magnetic properties--thermoelectric--conversion--density functional theory
Аннотация: Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal3) (Zr, Ti and Nb iodides, Mo, Ru, Ti and Zr bromides and Ti or Zr chlorides) are investigated. These structures consist of transition metal atoms chains surrounded by halides atoms. Chains are connected to each other by weak interactions. All TMHal3 compounds were found to be conductive along chain axis except of MoBr3 which is indirect gap semiconductor. It was shown that NbI3 and MoBr3 have large magnetic moments on metal atoms (1.17 and 1.81 µB, respectively) but other TMHal3 materials have small or zero magnetic moments. For all structures ferromagnetic and anti-ferromagnetic phases have almost the same energies. The causes of these properties are debated.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Isaenko L. I., Kesler V. G., Molokeev M. S., Zhurkov S. A.
Заглавие : Synthesis and structural properties of cubic G0-Rb2KMoO3F3 oxyfluoride
Место публикации : Ceram. Int.: Elsevier, 2012. - Vol. 38, Is. 3. - P.2455-2459. - ISSN 0272-8842, DOI 10.1016/j.ceramint.2011.11.013
Примечания : Cited References: 23. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34).
Предметные рубрики: PHASE-TRANSITIONS
FERROELECTRIC K3WO3F3
(NH4)(3)MOO3F3
TEMPERATURE
PEROVSKITE
ELPASOLITE
CRYSTALS
BEHAVIOR
High temperature
Melt solidification
Micromorphologies
Melt solidification
Microstructure-final
Oxyfluorides
Space Groups
Oxyfluorides
X ray methods
Ключевые слова (''Своб.индексиров.''): powders: solid state reaction--microstructure-final--x-ray methods--alkali oxides--halides
Аннотация: High-temperature G0 polymorph of Rb2KMoO3F3 has been prepared by melt solidification. Micromorphology and chemical properties of the final product were evaluated by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The elpasolite-related crystal structure of G0-Rb2KMoO3F3 has been refined by Rietveld method at T = 298 K (space group Fm-3m, a = 8.92446(8) Å, V = 710.76(1) Å3; RB = 3.55%). Ferroelectric G1-Rb2KMoO3F3 polymorph, earlier reported at T˂328 K, is not found at T = 298 K.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Zamkova N. G., Sofronova S. N.
Заглавие : The structural properties of RbMnX3 (X=F, Cl, Br) halides
Разночтения заглавия :авие SCOPUS: The structural properties of RbMnX3 (X = F, Cl, Br) halides
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2003. - Vol. 96, Is. 4. - P747-756. - ISSN 1063-7761, DOI 10.1134/1.1574547
Примечания : Cited References: 15
Предметные рубрики: POLARIZATION
SYSTEMS
Ключевые слова (''Своб.индексиров.''): crystals--formability--hydrostatic pressure--ions--phase transitions--polarization--rubidium compounds--cubic structures--hexagonal structures--quadrupole polarizabilities--structural properties--halogen compounds
Аннотация: The results of nonempirical calculation of energies of three polytypes (cubic, two-layer hexagonal, and six-layer hexagonal) are given for RbMnX3 (X=F, Cl, Br) crystals. The calculation is performed using an ionic crystal model with regard for the deformability and the dipole and quadrupole polarizabilities of ions. The behavior of these crystals under the action of hydrostatic pressure is studied. It is demonstrated that, at normal pressure, the RbMnCl3 and RbMnBr3 crystals have a six-layer hexagonal structure. At pressures above 11 kbar, RbMnCl3 passes to a phase with a cubic structure; RbMnBr3 at pressures above 90 kbar passes to a phase with a two-layer hexagonal structure. The RbMnF3 crystal under normal conditions has a cubic structure and experiences no phase transformations under the effect of pressure. The obtained results are in satisfactory agreement with the known experimental data. (C) 2003 MAIK "Nauka/Interperiodica".
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li, Mingze, Molokeev M. S., Zhao, Jing, Xia, Zhiguo
Заглавие : Optical functional units in zero-dimensional metal halides as a paradigm of tunable photoluminescence and multicomponent chromophores
Место публикации : Adv. Opt. Mater. - 2020. - Vol. 8, Is. 8. - Ст.1902114. - ISSN 2195-1071, DOI 10.1002/adom.201902114
Примечания : Cited References: 38. - This work was supported by the National Natural Science Foundation of China (Nos. 51961145101, 51722202, and 51972118), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and this work was also funded by RFBR according to the Research Project No. 19-52-80003
Предметные рубрики: PEROVSKITES
LUMINESCENCE
ABSORPTION
EMISSION
Аннотация: Zero-dimensional (0D) organic–inorganic hybrid luminescent metal halides have many promising optoelectronic applications; however, the single building unit in the 0D framework restricts their multimode optical control and photoluminescence tuning. Thus, it remains urgent but challenging to rationally design distinct anionic polyhedral with different optical functions and further expand this family by an equivalent cation substitution and halogen replacement. Herein, (C9NH20)9[Pb3X11](MX4)2 (X = Br and Cl, M = Mn, Fe, Co, Ni, Cu, and Zn) is successfully synthesized verifying the rationality of the design philosophy, and the optical characterizations demonstrate the effects of X‐position anions and M‐position cations on luminescence process. Intriguingly, both [Pb3X11]5− and [MX4]2− perform as inorganic building units in this 0D system and optically active centers, in which the former leads to high‐efficiency broad‐band yellow/green emission originating from self‐trapped excitons and the as‐observed multicomponent chromophores are derived from the absorption of the latter in the visible light region. The present work highlights the importance of different optical functional units showing synergistic effects on the physical properties and inspires future studies to explore multifunctional application of 0D luminescent metal halides.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Liu, Zhiyang, Huang, Jinglong, Molokeev M. S., Xiao, Zewen, Ma, Chonggeng, Xia, Zhiguo
Заглавие : Unraveling the near-unity narrow-band green emission in zero-dimensional Mn2+-based metal halides: a case study of (C10H16N)2Zn1–xMnxBr4 solid solutions
Место публикации : J. Phys. Chem. Lett. - 2020. - Vol. 11, Is. 15. - P.5956-5962. - ISSN 1948-7185, DOI 10.1021/acs.jpclett.0c01933
Примечания : Cited References: 32. - This work was supported by the National Natural Science Foundations of China (Grant No. 51972118, 51961145101, and 51722202), Fundamental Research Funds for the Central Universities (D2190980), Guangzhou Science & Technology Project (202007020005), the Guangdong Provincial Science & Technology Project (No. 2018A050506004), 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. 19-5280003. C. Ma acknowledges the support from the Innovation and Entrepreneurship Programs for Returned Overseas Chinese Scholars offered by Chongqing Bureau of Human Resources and Social Security (CX2019055). Z. Xiao acknowledges the financial support from the Thousand Young Talents Program of China, the Startup Fund of Huazhong University of Science and Technology, and the Director Fund of Wuhan National Laboratory for Optoelectronics
Предметные рубрики: Organic-inorganic hybrid
Light emission
White
Br
Аннотация: Zero-dimensional (0D) Mn2+-based metal halides are potential candidates as narrow-band green emitters, and thus it is critical to provide a structural understanding of the photophysical process. Herein, we propose that a sufficiently long Mn–Mn distance in 0D metal halides enables all Mn2+ centers to emit spontaneously, thereby leading to near-unity photoluminescence quantum yield. Taking lead-free (C10H16N)2Zn1–xMnxBr4 (x = 0–1) solid solution as an example, the Zn/Mn alloying inhibits the concentration quenching that is caused by the energy transfer of Mn2+. (C10H16N)2MnBr4 exhibits highly thermal stable luminescence even up to 150 °C with a narrow-band green emission at 518 nm and a full width at half maximum of 46 nm. The fabricated white light-emitting diode device shows a high luminous efficacy of 120 lm/W and a wide color gamut of 104% National Television System Committee standard, suggesting its potential for liquid crystal displays backlighting. These results provide a guidance for designing new narrow-band green emitters in Mn2+-based metal halides.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Liu, Zhiyang, Molokeev M. S., Xiao, Zewen, Xia, Zhiguo, Zhang, Xian-Ming
Заглавие : Manipulation of Cl/Br transmutation in zero-dimensional Mn2+-based metal halides toward tunable photoluminescence and thermal quenching behaviors
Место публикации : J. Mater. Chem. C. - 2021. - Vol. 9, Is. 6. - P.2047-2053. - ISSN 2050-7526, DOI 10.1039/d0tc05137c. - ISSN 2050-7534(eISSN)
Примечания : 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
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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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li, Mingze, Li, Yawen, Molokeev M. S., Zhao, Jing, Na, Guangren, Zhang, Lijun, Xia, Zhiguo
Заглавие : Halogen substitution in zero-dimensional mixed metal halides toward photoluminescence modulation and enhanced quantum yield
Место публикации : Adv. Opt. Mater. - 2020. - Vol. 8, Is. 16. - Ст.2000418. - ISSN 2195-1071, DOI 10.1002/adom.202000418
Примечания : Cited References: 34. - M.L., Y.L. contributed equaly to this work. This work was supported by the National Natural Science Foundation of China (51961145101, 51972118, and 51722202), Fundamental Research Funds for the Central Universities (FRFTP-18-002C1), the Guangdong Provincial Science &Technology Project (2018A050506004), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01 x 137). This work was also funded by RFBR according to the research project No. 19-52-80003. The work at Jilin University is supported by the National Natural Science Foundation of China (Grant No. 61722403 and 11674121) and Jilin Province Science and Technology Development Program (Grant No. 20190201016JC). Calculations were performed in part at the high performance computing center of Jilin University.
Предметные рубрики: WHITE-LIGHT EMISSION
PEROVSKITES
EXCITONS
Аннотация: Zero‐dimensional (0D) organic−inorganic hybrid metal halides haveunprecedented degrees of freedom for structural tunability and photoluminescence modulation. Here, the 0D isomorphic hybrid metal mixed halides (C9NH20)9Pb3Zn2Br19(1−x )Cl19x (x = 0–1) with continuous halogen contents control, exhibiting tunable emission and enhancement of photoluminescence quantum yield (PLQY) are reported. The competitive bromine to chlorine substitution process in (C9NH20)9Pb3Zn2Br19(1−x )Cl19x occurs first in [ZnBr4−x Clx ]2− tetrahedron before the [Pb3Br11−x Clx ]5− trimer. The increasing Cl content in samples from x = 0 to 1 results in an expected blue shift of emission peak from 565 to 516 nm, and meanwhile a strikingly room temperature PL quantum yield increase from 8% to 91%. Combined experimental characterizations and theoretical calculations indicate that the blue shift of interband transition energy is responsible for the emission peak shift. Moreover, with the increasing Cl content, the enhanced electron−phonon interaction and the weakened thermal‐assisted nonradiative recombination result in more efficient radiative transition channels and ultimately enhanced PLQY. The impact of halogen substitution on electronic structures and optical properties in 0D hybrid metal halides is emphasized in this work as a new strategy to promote the future development of new luminescent materials.
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