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Diffusional Isotope Effect Based on the Transition-State Theory of Interstitial Mechanism in Solids 期刊论文
ACS Earth and Space Chemistry, 2023, 卷号: 7, 页码: 28–40
作者:  Xuefang Li;  Yining Zhang;  Yun Liu
Adobe PDF(3270Kb)  |  收藏  |  浏览/下载：157/0  |  提交时间：2023/05/16
Interstitial Diffusion, Isotope Effect, Transition-state Theory, First-principles Calculations, Helium Diffusion, Forsterite  
New insights into mercury removal mechanism on CeO(2)based catalysts: A first-principles study 期刊论文
Frontiers of Environmental Science & Engineering, 2018, 卷号: 12, 期号: 2, 页码: 1-9
作者:  Ling Li;  Yu He;  Xia Lu
Adobe PDF(372Kb)  |  收藏  |  浏览/下载：185/0  |  提交时间：2019/05/17
Elemental Mercury Removal  surface Adsorption  ceria  first-principles Calculations  
Phase transition and thermodynamic properties of YAg alloy from first-principles calculations 期刊论文
Computational Materials Science, 2015, 卷号: 102, 页码: 21-26
作者:  Chunying Pu;  Dawei Zhou;  Yuling Song;  Zhuo Wang;  Feiwu Zhang;  Zhiwen Lu
Adobe PDF(1840Kb)  |  收藏  |  浏览/下载：142/0  |  提交时间：2019/09/04
Phase Transition  first-principles Calculations  thermodynamic Properties