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Theoretical description of diverse materials (metal, metal oxide, carbide, sulfide, phosphide) in various forms (nanostructures, supported nanostructures, surfaces) and their applications with a focus on energy production, conversion and storage. The current research focuses on the heterogeneous catalysts for production of fuels from greenhouse gases (carbon dioxide, methane), electrocatalysts involved in fuel cells which convert the chemical energy to electricity and battery materials for storage of electricity. Density functional calculations, kinetic modeling and sensitivity analysis are employed to obtain a fundamental understanding of how the materials function and provide guidance for design of advanced catalysts using the machine-learning based methods.
Theoretical description of diverse materials (metal, metal oxide, carbide, sulfide, phosphide) in various forms (nanostructures, supported nanostructures, surfaces) and their applications with a focus on energy production, conversion and storage. The current research focuses on the heterogeneous catalysts for production of fuels from greenhouse gases (carbon dioxide, methane), electrocatalysts involved in fuel cells which convert the chemical energy to electricity and battery materials for storage of electricity. Density functional calculations, kinetic modeling and sensitivity analysis are employed to obtain a fundamental understanding of how the materials function and provide guidance for design of advanced catalysts using the machine-learning based methods.
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论文共 395 篇作者统计合作学者相似作者
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Nature Catalysisno. 1 (2024): 98-109
ACS CATALYSISno. 3 (2024): 1653-1662
The journal of physical chemistry lettersno. 29 (2023): 6556-6563
EES Catalysisno. 1 (2023): 17-25
JOURNAL OF PHYSICAL CHEMISTRY Cno. 2 (2023): 907-918
Journal of the American Chemical Society (2023)
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ACS CATALYSISno. 21 (2023): 14268-14276
ACS CENTRAL SCIENCEno. 1 (2023): 27-35
Yu-Chung Lin,Xiaoyang Liu, Gavin Onghai,Aniket Raut,Yiwei Fang,Yifan Yin,Shi Fu, Haoyan Fang,Kuan-Che Feng,Xuelong Wang,Ping Liu,Tai-De Li,
MACROMOLECULESno. 19 (2023): 8039-8046
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