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个人简介
Dr. Patrick Sit is interested in applying state-of-the-art first-principles (ab initio) simulation methods and developing novel computational methodologies to study fundamental reaction processes in energy and environmentally-related problems. Current interests include:
Density functional theory and first-principles (ab initio) molecular dynamics study and development of catalysts for energy storage and conversion.
Stability and surface reactions of the hybrid inorganic-organic perovskite materials.
Graphite intercalation compounds in dual-ion batteries.
Redox chemistry of transition metal-containing compounds.
Ab initio molecular dynamics study of structural and dynamical properties of liquid systems.
Development of novel first-principles methodologies towards more accurate and efficient study of redox and electron-transfer processes
Density functional theory and first-principles (ab initio) molecular dynamics study and development of catalysts for energy storage and conversion.
Stability and surface reactions of the hybrid inorganic-organic perovskite materials.
Graphite intercalation compounds in dual-ion batteries.
Redox chemistry of transition metal-containing compounds.
Ab initio molecular dynamics study of structural and dynamical properties of liquid systems.
Development of novel first-principles methodologies towards more accurate and efficient study of redox and electron-transfer processes
研究兴趣
论文共 81 篇作者统计合作学者相似作者
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Zhancong Liang,Liyuan Zhou,Kunpeng Chen,Ying-Hsuan Lin, Alvin.C.K. Lai, Patrick.K.H. Lee,Patrick.H.L. Sit,Ran Yin,Chak K. Chan
Atmospheric Environmentpp.120559, (2024)
Cell Reports Physical Scienceno. 9 (2023): 101555-101555
RESULTS IN ENGINEERING (2023): 101134-101134
The Science of the total environment (2023): 162200-162200
JOURNAL OF PHYSICAL CHEMISTRY Cno. 27 (2023): 13266-13275
ENVIRONMENTAL SCIENCE-ATMOSPHERESno. 9 (2023): 1296-1305
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