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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Wang, Yuanjing, Tang, Wenyu, Zhang, Chuang, Molokeev M. S., Ming, Hong, Zhou, Yayun, Peng, Shuai, Song, Enhai, Zhang, Qinyuan
Заглавие : Structure-based machine learning enables discovery of Mn4+-activated red-light fluorides for ultrawide-gamut mini-light-emitting diodes
Колич.характеристики :11 с
Место публикации : Adv. Funct. Mater. - 2024. - Vol. 34, Is. 14. - Ст.2313490. - ISSN 1616301X (ISSN), DOI 10.1002/adfm.202313490. - ISSN 16163028 (eISSN)
Примечания : Cited References: 61. - This research was financially supported by the National Key R& D Program of China (Grant No. 2022YFB3503800) and the National Natural Science Foundation of China (Grant Nos. 52202170 and 52322208). This research was supported by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center's project No. 89-DON (3)
Аннотация: Mn4+-activated fluorides with a saturated red color and sharp line emission are ideal for applications in the light-emitting diodes (LEDs) backlight for displays. However, the emissions attributed to 2E→4A2 parity and spin-forbidden transitions limit the design and adjustments of emission wavelength and chromaticity coordinates. Herein, machine learning algorithms are used to build a wavelength-prediction model for Mn4+-activated fluorides. The model precisely identifies the key structural features that affect wavelengths and discovers target materials. The predicted candidate Cs2NaAlF6:Mn4+ (CNAF) with a long-wavelength zero-phonon-line emission at 628 nm exhibits a redshift in comparison with other reported Mn4+-activated fluorides and commercial K2SiF6:Mn4+, but maintains narrow spectral emission with full-width half maximum (FWHM) of 11.2 nm. The redshift and narrow spectra result in a color purity of 99.7% and Commission Internationale de L'Eclairage (CIE) chromaticity coordinate of (0.7032,0.2967) that is close to the pure red-light point of Recommendation BT. 2020 (Rec. 2020). Moreover, CNAF is prepared as a transparent red-light film, and the device fabricated using the blue-light mini-LEDs, green quantum-dot film, and CNAF film exhibits a wide color-gamut of 121.5% National Television Standards Committee (NTSC) or 90.6% Rec. 2020, suggesting that CNAF has potential for wide-color-gamut displays.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Bogdanov E. V., Laptash N. M.
Заглавие : Chemical pressure as an effective tool for tuning the structural disordering and barocaloric efficiency of complex fluorides (NH4)3MF7 (M: Sn, Ti, Ge, Si)
Колич.характеристики :18 с
Место публикации : J. Phys. D: Appl. Phys. - 2024. - Vol. 57, Is. 17. - Ст.175301. - ISSN 00223727 (ISSN), DOI 10.1088/1361-6463/ad211b. - ISSN 13616463 (eISSN)
Примечания : Cited References: 39. - The study was supported by a Grant from the Russian Science Foundation No. 23-22-00115, https://rscf.ru/project/23-22-00115/
Аннотация: Double fluoride salts (NH4)3M4+F7 (M4+: Sn, Ti, Ge, Si) demonstrate a high efficiency of using chemical pressure as a tool for control and tuning structural ordering/disordering, sensitivity to hydrostatic pressure, successions of the phase transitions, etc and, as a result, for purposeful variation within a wide range of parameters of barocaloric effect (BCE). The conventional and inverse BCEs near the triple points were found on the T − p phase diagrams, combination of which can be used to construct original cooling cycle in narrow temperature and pressure ranges. Reconstructive transformation between two cubic phases, Pm3-m ↔ Pa3-, realized in (NH4)3SnF7 at atmospheric pressure and in (NH4)3TiF7 at p ˃ 0.4 GPa are characterized by rather low thermal hysteresis, δT0 = 1 K, and a great entropy change, ΔSBCE = 110–152 J (kg · K)−1, depending on the size of the central atom. At above 300–350 K, a contribution to BCE associated with the regular thermal expansion of the crystal lattice becomes comparable to entropy and temperature changes under pressure in the region of the phase transitions. An analysis of the absolute, relative and integral barocaloric characteristics of (NH4)3M4+F7 compounds showed their high competitiveness with respect to other barocaloric materials considered as promising solid-state refrigerants.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ming H., Zhou Ya., Molokeev M. S., Zhang Ch., Huang L., Wang Yu., Sun H.-T., Song E., Zhang Q.
Заглавие : Machine-learning-driven discovery of Mn4+-doped red-emitting fluorides with short excited-state lifetime and high efficiency for mini light-emitting dIode displays
Колич.характеристики :11 с
Место публикации : ACS Mater. Lett. - 2024. - Vol. 6. - P.1790-1800. - ISSN 26394979 (eISSN), DOI 10.1021/acsmaterialslett.4c00263
Примечания : Cited References: 39. - This work was financially supported by the National Key Research and Development Program of China (No. 2022YFB3503800), National Natural Science Foundation of China (Grants Nos. 52202170 and 52322208), Natural Science Foundation of Guangdong Province (No. 2022A1515140032) and Distinguished Youth Foundation of Guangdong Scientific Committee (No. 2023B1515020059). This work was also supported by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center’s Project No. 89-DON (3). H. Ming acknowledges the fellowship support from the China Scholarship Council (CSC No. 202206150038)
Аннотация: The discovery of high-efficiency Mn4+-activated fluoride red phosphors with short excited-state lifetimes (ESLs) is urgent and crucial for high-quality, wide-color-gamut display applications. However, it is still a great challenge to design target phosphors with both short ESL and high luminescence efficiency. Herein, we propose an efficient machine learning approach based on a small dataset to establish the ESL prediction model, thereby facilitating the discovery of new Mn4+-activated fluorides with short ESLs. Such a model can not only accurately predict the ESLs of Mn4+ in fluorides but also quantify the impact of structure features on ESLs, therefore elucidating the “structure-lifetime” correlations. Guided by the correlations, two new Mn4+-doped tetramethylammonium (TMA)-based hybrid fluorides (TMA)2BF6:Mn4+ (B = Sn or Hf) with both short ESLs (τ ≤ 3.7 ms) and high quantum efficiencies (internal QEs ˃ 92%, external QEs ˃ 55%) have been discovered successfully. A prototype displayer with excellent performance (∼124% National Television Standards Committee (NTSC) color gamut) is assembled by employing a (TMA)2SnF6:Mn4+-based white Mini-LED backlight module, demonstrating its practical prospects in high-quality displays. This work not only brings promising candidates for Mn4+-doped fluoride phosphors but also provides a valuable reference for accelerating the discovery of new promising phosphors.
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Вид документа : Однотомное издание
Шифр издания :
Автор(ы) : Flerov I. N., Bogdanov E. V., Gorev M. V.
Заглавие : Barocaloric effect in ferroelastic fluorides and oxyfluorides
Колич.характеристики :23 pp.
Место публикации : Barocaloric effects in the solid-state. Materials and methods/ ed. P. Lloveras: IOP Publishing, 2023. - Chapt. 4. - P.4-1-4-23. - , DOI 10.1088/978-0-7503-4690-0ch4
Примечания : Cited References: 68
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bogdanov E. V., Pogoreltsev E. I., Gorev M. V., Mel'nikova S. V., Molokeev M. S., Laptash N. M., Flerov I. N.
Заглавие : Effect of the size of the central atom on the stability of crystalline phases in solid solutions (NH4)3TixSn1-xF7
Колич.характеристики :8 с
Место публикации : J. Solid State Chem. - 2023. - Vol. 328. - Ст.124373. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2023.124373. - ISSN 1095726X (eISSN)
Примечания : Cited References: 20. - The study was supported by a grant from the Russian Science Foundation № 23-22-00115, https://rscf.ru/project/23-22-00115/X-ray and dilatometric data and SEM images were obtained using the equipment of the Krasnoyarsk Regional Center for Collective Use of the Federal Research Center — Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences. We are grateful to Dr. A.V. Shabanov for examination of the SEM images
Аннотация: The effect of a change in internal pressure as a result of partial substitution of the central atom on the realization and stability of the initial and distorted crystalline phases in (NH4)3TixSn1-xF7 solid solutions has been studied. It was found that at a Ti concentration in the range of x = 0.15–0.40, the reconstructive transition Pm-3m ↔ Pa-3 is transformed into a sequence of phase transitions Pm-3m ↔ P4/mbm ↔ P4/mnc ↔ Pa-3. In the (NH4)3Ti0.15Sn0.85F7 solid solution, the first-order phase transition between two cubic phases at T0 = 352 K is characterized by a significant volume jump δ(ΔV/V0) ≈ 1 %, comparable with that in (NH4)3SnF7. An increase of the Ti concentration leads to a strong decrease in the stability of the Pm-3m cubic phase: the first tetragonal P4/mbm phase appears in (NH4)3Ti0.4Sn0.6F7 at T0 = 400 K, which proves the existence of the predicted high-temperature cubic phase in (NH4)3TiF7. In solid solutions, a decrease in birefringence and entropy of phase transitions was observed in comparison with the initial compounds with Sn and Ti as central atoms. The role of critical parameters (unit cell volume, temperature, external pressure) in the formation of cubic and distorted phases is discussed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Bogdanov E. V., Laptash N. M.
Заглавие : The role of chemical pressure in the formation of the structure and barocaloric properties of complex fluorides and oxyfluorides
Колич.характеристики :14 с
Место публикации : Crystallogr. Rep. - 2023. - Vol. 68, Is. 5. - P.765-778. - ISSN 10637745 (ISSN), DOI 10.1134/S1063774523600485. - ISSN 1562689X (eISSN)
Примечания : Cited References: 67
Аннотация: The role of chemical pressure as an effective tool in the processes of formation of initial and distorted (as a result of structural transformations) phases, thermodynamic properties, and direct and inverse barocaloric effects in some complex oxyfluorides and fluorides with octahedral, tetrahedral, and spherical anion and cation groups in the structure has been studied. It is found that, due to the small temperature hysteresis and high baric sensitivity of materials, the maximum values of absolute and integral barocaloric characteristics can be implemented at low pressures. Correspondingly, the temperature range of reversibility of thermodynamic cycles based on fluorides/oxyfluorides as solid-state coolants can be expanded.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bogdanov E. V., Gorev M. V., Flerov I. N.
Заглавие : Effect of deuteration on the barocaloric properties of complex vanadates (NH4)3VOxF6−x (x: 1, 2)
Место публикации : Solid State Sci. - 2022. - Vol. 133. - Ст.107022. - ISSN 12932558 (ISSN), DOI 10.1016/j.solidstatesciences.2022.107022
Примечания : Cited References: 28
Аннотация: We report on the analysis of intensive and extensive barocaloric properties and their sensitivity to deuteration of complex oxyfluorides (NH4)3VOxF6−x (x: 1, 2) undergoing a similar sequence of structural phase transitions. Due to the high sensitivity to hydrostatic pressure and the strong disordering of six-coordinated anionic fluoro-oxygen species, (NH4)3VO2F4 and (ND4)3VO2F4 crystals demonstrate the highest barocaloric efficiency at low pressure, p = 0.1 GPa, during the phase transition from the initial cubic phase: barocaloric coefficients reach large values |ΔSBCE|/p ≈ 400 J/(kg K GPa) and ΔTAD/p ≈ 80 K/GPa. Anionic, [VOF5] → [VO2F4], and cationic, [ND4] → [NH4] substitutions are accompanied by a decrease in the disorder of structural units in the cubic phase, which leads to a decrease in changes in entropy and temperature under pressure. The contribution of thermal expansion of the crystal lattice to the total intensive and extensive barocaloric effects is large and amounts to about 30–40%.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorev M. V., Molokeev M. S., Kartashev A. V., Pogoreltsev E. I., Mel'nikova S. V., Laptash N. M., Flerov I. N.
Заглавие : Investigation of thermal properties and structure of complex fluoride K3ZrF7
Место публикации : J. Fluor. Chem. - 2021. - Vol. 241. - Ст.109677. - ISSN 00221139 (ISSN), DOI 10.1016/j.jfluchem.2020.109677
Примечания : Cited References: 44. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS"
Аннотация: X-ray, calorimetric and dilatometric studies of K3ZrF7 revealed the existence of the phase transition Fm-3m ↔ R-3m at T0 = 320 K. The structural model assumes a disorder of a pentagonal bipyramid ZrF7 with the following ratio of equivalent orientation positions in the initial and distorted phases: 12 to 6. A good agreement was found between the experimental and model-calculated changes in strain and entropy during the phase transition. A comparative analysis of entropy and structural parameters of related fluorides K3ZrF7 - (NH4)2KZrF7 - (NH4)3ZrF7 was performed. The anomalous behavior of thermodynamic properties in the range 140−230 K is not typical for phase transitions and is accompanied by a significant change in the entropy of the crystal lattice.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bogdanov E. V., Molokeev M. S., Gorev M. V., Kartashev A. V., Laptash N. M., Flerov I. N.
Заглавие : Phase transition in RbCdZrF7: Structure and thermal properties
Место публикации : J. Fluor. Chem. - 2021. - Vol. 245. - Ст.109748. - ISSN 00221139 (ISSN), DOI 10.1016/j.jfluchem.2021.109748
Примечания : Cited References: 30. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS"
Аннотация: X-ray, calorimetric and dilatometric studies of RbCdZrF7 revealed the existence of the second order phase transition Cmcm - P21/m at T0 = 200 K. The structure of the initial and distorted phases is ordered. The phase transition is associated with displacements of fluorine atoms, which leads to minor rotations of the CdF7 and ZrF7 pentagonal bipyramids. A small change in entropy, 0.1R, is characteristic of displacive-type transformations. An anomalously high susceptibility of the transition temperature to hydrostatic pressure was found.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Yu. V., Laptash N. M., Krylov A. S., Vonog V., Vtyurin A. N.
Заглавие : Structural phase transition in (NH4)3GeF7– Raman spectroscopy data
Место публикации : Crystals. - 2021. - Vol. 11, Is. 5. - Ст.506. - ISSN 20734352 (ISSN), DOI 10.3390/cryst11050506
Примечания : Cited References: 22. - This research was partially funded by RFBR and DFG, project No. 21-52-12018
Аннотация: We obtained Raman spectra of (NH4)3GeF7 crystals with a wide range of frequencies (10–3400 cm−1) and temperatures (8–300 K), including phase transition, which was accompanied by a symmetry increase with a temperature decrease. The internal vibrations of the GeF62− group were classified by the positional symmetry method. Considerable transformations of the Raman spectra were observed at the lower frequency range of lattice vibrations and the ranges of the internal vibrations of the ammonium ions. In contrast, the internal modes of the GeF62− groups changed only slightly due to their resonance splitting in the multiplied unit cell, which agreed well with the proposed phase transition mechanism induced by ammonium group ordering.
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