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Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Theoretical investigation on structure, mechanical performance and oxidation resistance of the boron-doped PyC interphase in SiCf/ SiC composites 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2024, 卷号: 44, 期号: 5, 页码: 3074-3083
作者:  Liu, Mei;  Zhang, Siyan;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Ceramic matrix composites (CMCs)  Ab-initio molecular dynamics (AIMD)  Pyrolytic carbon (PyC)  Interphase  
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
收藏  |  浏览/下载：100/0  |  提交时间：2022/09/16
Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Direct Atomic Observation of Reversible Orientation Switch in Monoatomic-Layered Gold Membrane Conducted by Dynamic Vortex 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 页码: 8
作者:  Chen, Chunjin;  Wang, Xuelu;  Hao, Shuhui;  Du, Kui
收藏  |  浏览/下载：107/0  |  提交时间：2022/09/16
reversible switch  spin splitting dynamic vortex  TEM  AIMD