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Ab initio mechanism revealing for tricalcium silicate dissolution Journal article
Nature Communications, 2022,Volume: 13,Issue: 1
Authors:  Li, Yunjian;  Pan, Hui;  Liu, Qing;  Ming, Xing;  Li, Zongjin
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/05/13
Ab initio metadynamics simulations on the formation of calcium silicate aqua complexes prior to the nuleation of calcium silicate hydrate Journal article
Cement and Concrete Research, 2022,Volume: 156
Authors:  Li, Yunjian;  Pan, Hui;  Li, Zongjin
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/05/13
Ab Initio Metadynamics Simulations  Calcium Silicate Hydrate (C-s-h)  Hydration  Ligand Substitution Mechanisms  Pre-nucleation  
Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations Journal article
Cement and Concrete Research, 2022,Volume: 152
Authors:  Li, Yunjian;  Ai, Haoqiang;  Lo, Kin Ho;  Kong, Youchao;  Pan, Hui;  Li, Zongjin
Favorite |  | TC[WOS]:2 TC[Scopus]:3 | Submit date:2022/03/04
Adsorption Mechanism  Ca3sio5  First-principles Calculations  Hydration  Interface