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  1. Article ; Online: Crystal-liquid duality enhanced dynamical stability of hybrid perovskites.

    Chen, Xuan-Yan / Zhao, Bai-Qing / Liu, Zheng / Wei, Su-Huai / Zhang, Xie

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 27, Page(s) 17787–17792

    Abstract: The organic molecules in hybrid perovskites can easily rotate within the inorganic lattice at room temperature, leading to a crystal-liquid duality. The liquid-like behavior of the organic molecules is commonly believed to play a critical role in the ... ...

    Abstract The organic molecules in hybrid perovskites can easily rotate within the inorganic lattice at room temperature, leading to a crystal-liquid duality. The liquid-like behavior of the organic molecules is commonly believed to play a critical role in the dynamical stability, but the microscopic mechanism remains unclear. Furthermore, the presence of dynamically rotating molecules raises concerns regarding the reliability of assessing the stability of hybrid perovskites based on simple yet commonly used descriptors such as the Goldschmidt tolerance factor. Here we assess the finite-temperature phonons of hybrid perovskites by mapping
    Language English
    Publishing date 2023-07-12
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp01541f
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Engineering Carrier Dynamics in Halide Perovskites by Dynamical Lattice Distortion.

    Zhao, Bai-Qing / Li, Yulu / Chen, Xuan-Yan / Han, Yaoyao / Wei, Su-Huai / Wu, Kaifeng / Zhang, Xie

    Advanced science (Weinheim, Baden-Wurttemberg, Germany)

    2023  Volume 10, Issue 33, Page(s) e2300386

    Abstract: The electronic structure of halide perovskites is central to their carrier dynamics, enabling the excellent optoelectronic performance. However, the experimentally resolved transient absorption spectra exhibit large discrepancies from the commonly ... ...

    Abstract The electronic structure of halide perovskites is central to their carrier dynamics, enabling the excellent optoelectronic performance. However, the experimentally resolved transient absorption spectra exhibit large discrepancies from the commonly computed electronic structure by density functional theory. Using pseudocubic CsPbI
    Language English
    Publishing date 2023-10-09
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2808093-2
    ISSN 2198-3844 ; 2198-3844
    ISSN (online) 2198-3844
    ISSN 2198-3844
    DOI 10.1002/advs.202300386
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Dual-Defect Engineering Strategy Enables High-Durability Rechargeable Magnesium-Metal Batteries.

    Chen, Fuyu / Zhao, Bai-Qing / Huang, Kaifeng / Ma, Xiu-Fen / Li, Hong-Yi / Zhang, Xie / Diao, Jiang / Yue, Jili / Huang, Guangsheng / Wang, Jingfeng / Pan, Fusheng

    Nano-micro letters

    2024  Volume 16, Issue 1, Page(s) 184

    Abstract: Rechargeable magnesium-metal batteries (RMMBs) are promising next-generation secondary batteries; however, their development is inhibited by the low capacity and short cycle lifespan of cathodes. Although various strategies have been devised to enhance ... ...

    Abstract Rechargeable magnesium-metal batteries (RMMBs) are promising next-generation secondary batteries; however, their development is inhibited by the low capacity and short cycle lifespan of cathodes. Although various strategies have been devised to enhance the Mg
    Language English
    Publishing date 2024-04-29
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2642093-4
    ISSN 2150-5551 ; 2150-5551
    ISSN (online) 2150-5551
    ISSN 2150-5551
    DOI 10.1007/s40820-024-01410-8
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: H

    Ma, Xiu-Fen / Zhao, Bai-Qing / Liu, Hongyu / Tan, Jing / Li, Hong-Yi / Zhang, Xie / Diao, Jiang / Yue, Jili / Huang, Guangsheng / Wang, Jingfeng / Pan, Fusheng

    Advanced science (Weinheim, Baden-Wurttemberg, Germany)

    2024  , Page(s) e2401005

    Abstract: Mg-ion batteries (MIBs) are promising next-generation secondary batteries, but suffer from sluggish ... ...

    Abstract Mg-ion batteries (MIBs) are promising next-generation secondary batteries, but suffer from sluggish Mg
    Language English
    Publishing date 2024-04-06
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2808093-2
    ISSN 2198-3844 ; 2198-3844
    ISSN (online) 2198-3844
    ISSN 2198-3844
    DOI 10.1002/advs.202401005
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Computational Screening of Promising Deep-Ultraviolet Light Emitters.

    Xu, Xun / Liang, Han-Pu / Huang, Qiu-Shi / Liu, Zheng / Zhao, Bai-Qing / Xu, Si-Yuan / Li, Chuan-Nan / Zhou, Zi-Kai / Li, Jinshan / Wei, Su-Huai / Zhang, Xie

    Journal of the American Chemical Society

    2024  Volume 146, Issue 18, Page(s) 12864–12876

    Abstract: Deep-ultraviolet (DUV) light sources are technologically highly important, but DUV light-emitting materials are extremely rare; AlN and its alloys are the only materials known so far, significantly limiting the chemical and structural spaces for ... ...

    Abstract Deep-ultraviolet (DUV) light sources are technologically highly important, but DUV light-emitting materials are extremely rare; AlN and its alloys are the only materials known so far, significantly limiting the chemical and structural spaces for materials design. Here, we perform a high-throughput computational search for DUV light emitters based on a set of carefully designed screening criteria relating to the sophisticated electronic structure. In this way, we successfully identify 5 promising material candidates that exhibit comparable or higher radiative recombination coefficients than AlN, including BeGeN
    Language English
    Publishing date 2024-04-26
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.4c03711
    Database MEDical Literature Analysis and Retrieval System OnLINE

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