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How water molecules occupying the active site of a single-atom catalyst affect the electrochemical reduction of carbon dioxide Journal article
Zhao,Jia, Liu,Di, Wei,Fenfei, Ip,Weng Fai, Pan,Hui, Lin,Sen. How water molecules occupying the active site of a single-atom catalyst affect the electrochemical reduction of carbon dioxide[J]. Nano Research, 2023, 16(7), 9091-9098.
Authors:  Zhao,Jia;  Liu,Di;  Wei,Fenfei;  Ip,Weng Fai;  Pan,Hui; et al.
Favorite | TC[WOS]:15 TC[Scopus]:12  IF:9.5/9.0 | Submit date：2023/08/03
Ab Initio Molecular Dynamics  Density Functional Theory  Electrocatalytic Co2 Reduction  Single-atom Catalysis  Solvent Effect  
Unravelling the dissolution dynamics of silicate minerals by deep learning molecular dynamics simulation: A case of dicalcium silicate Journal article
Yunjian Li, Hui Pan, Zongjin Li. Unravelling the dissolution dynamics of silicate minerals by deep learning molecular dynamics simulation: A case of dicalcium silicate[J]. CEMENT AND CONCRETE RESEARCH, 2023, 165, 107092.
Authors:  Yunjian Li;  Hui Pan;  Zongjin Li
Favorite | TC[WOS]:9 TC[Scopus]:9  IF:10.9/14.4 | Submit date：2023/04/03
Ab Initio Molecular Dynamics Simulations  Deep Neural Network Potential  Dicalcium Silicate  Dissolution  Thermodynamics And Kinetics