Electron traps and energy storage: modeling a bright path to the future.

IF 1.3 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2023-12-01 Epub Date: 2023-11-23 DOI:10.1107/S205252062301003X
Renaldo T Moura
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引用次数: 0

Abstract

By employing time-dependent density functional theory for solid-state chemistry, the research presented by Andrii Shyichuk [Acta Cryst. (2023), B67, 437-449] significantly contributes to the understanding of electron/hole traps in doped materials.

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电子陷阱和能量储存:模拟通往未来的光明之路。
Andrii Shyichuk [Acta crystal。](2023), B67, 10.1107/S2052520623007709]有助于理解掺杂材料中的电子/空穴陷阱。
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来源期刊
Acta crystallographica Section B, Structural science, crystal engineering and materials
Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
3.60
自引率
5.30%
发文量
0
期刊介绍: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.
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