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Bio
近五年来,主要从事理论化学与能源催化交叉领域的理论研究。开发理论模拟计算方法并将其应用于能源相关的重要电化学反应其中包括反应机理研究、材料性质预测和先进功能材料的设计。例如,应用第一性原理显式溶剂模拟,研究固液界面结构和化学反应;应用统计热力学方法计算电化学反应的自由能位垒;利用多尺度模拟方法,对一系列重要的电化学反应机理进行了研究,其中包括二氧化碳电还原、氧气电还原和氢气电还原等。
Research Interests
Papers共 241 篇Author StatisticsCo-AuthorSimilar Experts
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Nature Catalysispp.1-11, (2024)
ACS NANOno. 15 (2024): 10642-10652
Mengyan Cao,Liang Xu, Yujie Guo, Yixin Li,Qiu Fang,Yuan Liu,Rui Bai,Jiacheng Zhu,Yurui Gao,Tao Cheng, Jifang Li,Xuefeng Wang,
Small (Weinheim an der Bergstrasse, Germany)pp.e2400498-e2400498, (2024)
Yiwen Su, Liang Xu,Yingjie Sun,Wenyi Guo,Xianzhong Yang,Yuhan Zou, Meng Ding,Qihui Zhang,Changpeng Qiao,Shixue Dou,Tao Cheng,Jingyu Sun
SMALLno. 11 (2024): e2308209-e2308209
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024): 123561
Batteriesno. 6 (2024)
Xinpeng Li,Menghao Li,Yue Liu,Yulin Jie,Wanxia Li,Yawei Chen,Fanyang Huang,Yuchen Zhang, Tahir Muhammad Sohail,Shiyang Wang, Xingbao Zhu,Tao Cheng,
Journal of the American Chemical Societyno. 25 (2024): 17023-17031
Liping Du, Qiwei Zhou, Qingqing He,Yan Liu, Yueqi Shen, Huijun Lv, Lingling Sheng,Tao Cheng,Hao Yang, Li Wan,Yuan Fang,Weihua Ning
Advanced Functional Materials (2024)
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