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Spinel inversion-induced magnetic coupling transitions at antiphase boundaries 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 223, 页码: 47-55
作者:  Chen, Shanshan;  Sun, Ziyi;  Jin, Qianqian;  Yan, Xuexi;  Gao, Chunyang;  Tao, Ang;  Jiang, Yixiao;  Yao, Tingting;  Chen, Chunlin;  Ma, Xiuliang;  Ye, Hengqiang
收藏  |  浏览/下载：5/0  |  提交时间：2025/04/27
Antiphase boundary  Cation distribution  Magnetic coupling  Transmission electron microscopy  First-principles calculations  
Thermodynamics-based sealing method for anodized aluminum used in semiconductor processing apparatuses 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 216, 页码: 241-259
作者:  Wang, Yuhang;  Zhao, Yang;  Wang, Shaogang;  Chen, Ji;  Zhang, Tao;  Wang, Fuhui
收藏  |  浏览/下载：7/0  |  提交时间：2025/04/27
Semiconductor  Thermodynamic calculations  Anodized aluminum  Sealing method  Design principle  
Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys 期刊论文
ACTA MATERIALIA, 2025, 卷号: 285, 页码: 17
作者:  Xiao, Jianwei;  Gao, Junjie;  Li, Songwei;  Wang, Rui;  Deng, Chuang;  Zhu, Yuntian;  Wu, Zhaoxuan
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Mg rare earth alloys  Deformation twinning  Nucleation mechanism  Density-functional theory calculations  
A first-principles study of band structure modulation at TiO2 heterogeneous interfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 247, 页码: 8
作者:  Li, Shuai;  Li, Peng;  Jiang, Yixiao;  Li, Xiang;  Zhang, Sheng;  Sun, Ziyi;  Yao, Tingting;  Chen, Chunlin
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
First-principles calculations  Superlattice thickness  Heterogeneous interfaces  Band structures modulation  TiO2  
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：7/0  |  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：5/0  |  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：3/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Nb-doped coherent TiO2/LaAlO3 interfaces: Segregation mechanism and improved photocatalytic performance 期刊论文
ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11
作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting;  Tao, Ang;  Yan, Xuexi;  Gao, Chunyang;  Yang, Zhiqing;  Chen, Chunlin;  Liu, Gang;  Ma, Xiu-Liang;  Ye, Hengqiang
收藏  |  浏览/下载：6/0  |  提交时间：2025/04/27
Coherent interfaces  Elemental doping  Photocatalytic  Transmission electron microscopy  First-principles calculations  TiO2  
Nb-doped coherent TiO2/LaAlO3 interfaces: Segregation mechanism and improved photocatalytic performance 期刊论文
ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11
作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting;  Tao, Ang;  Yan, Xuexi;  Gao, Chunyang;  Yang, Zhiqing;  Chen, Chunlin;  Liu, Gang;  Ma, Xiu-Liang;  Ye, Hengqiang
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Coherent interfaces  Elemental doping  Photocatalytic  Transmission electron microscopy  First-principles calculations  TiO2  
Molecular dynamics simulations of the shear and tensile mechanical properties of rare-earth metal erbium based on deep-learning potential 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 41, 页码: 11
作者:  Xue, Hong-Tao;  Chang, Zhen;  Li, Juan;  Yang, Yan-Hong;  Ren, Jun-Qiang;  Zhang, Yong;  Tang, Fu-Ling;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Deep-learning potential  Molecular dynamic simulations  First-principles calculations  Rare-earth erbium  Basal/prismatic interfaces  Shear and tensile deformations