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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：3/0  |  提交时间：2025/04/27
Antiphase boundary  Cation distribution  Magnetic coupling  Transmission electron microscopy  First-principles 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：1/0  |  提交时间：2025/04/27
First-principles calculations  Superlattice thickness  Heterogeneous interfaces  Band structures modulation  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  
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：2/0  |  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：1/0  |  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  
Magnetic-Electrical Synergetic Control of Non-Volatile States in Bilayer Graphene-CrOCl Heterostructures 期刊论文
ADVANCED MATERIALS, 2024, 页码: 9
作者:  Cao, Shimin;  Zheng, Runjie;  Wang, Cong;  Ma, Ning;  Chen, Mantang;  Song, Yuanjun;  Feng, Ya;  Hao, Tingting;  Zhang, Yu;  Wang, Yaning;  Gu, Pingfan;  Watanabe, Kenji;  Taniguchi, Takashi;  Liu, Yang;  Xie, X. C.;  Ji, Wei;  Ye, Yu;  Han, Zheng;  Chen, Jian-Hao
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
2D magnets  capacitance measurement  first-principles calculations  graphene  van der Waals heterostructures  
High-throughput screening of transition metal phthalocyanine electrocatalysts for oxygen reduction reactions 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 88, 页码: 850-857
作者:  Wang, Shitao;  Meng, Kun;  Qin, Lei;  Wu, Yongzhi;  Wei, Yan;  Rong, Ju;  Sui, Yudong;  Yu, Xiaohua;  Yang, Yongqiang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
First-principles calculations  High-throughput screening  Transition metal phthalocyanines  Oxygen reduction reactions  
High-throughput screening of transition metal phthalocyanine electrocatalysts for oxygen reduction reactions 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 88, 页码: 850-857
作者:  Wang, Shitao;  Meng, Kun;  Qin, Lei;  Wu, Yongzhi;  Wei, Yan;  Rong, Ju;  Sui, Yudong;  Yu, Xiaohua;  Yang, Yongqiang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
First-principles calculations  High-throughput screening  Transition metal phthalocyanines  Oxygen reduction reactions  
Surface corrosion behavior of (3-(Ni,Pt)Al coating: α-Al2O3 decohesion-induced failure mechanism 期刊论文
APPLIED SURFACE SCIENCE, 2024, 卷号: 669, 页码: 12
作者:  Jiang, Yiming;  Li, Shuai;  Huang, Di;  Bao, Zebin;  Wang, Jiemin;  Zhu, Shenglong;  Wang, Fuhui
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Pt-modified aluminide coating  alpha-Al 2 O 3 decohesion  Impurity segregation  Embrittlement  First-principles calculations  
Surface corrosion behavior of (3-(Ni,Pt)Al coating: α-Al2O3 decohesion-induced failure mechanism 期刊论文
APPLIED SURFACE SCIENCE, 2024, 卷号: 669, 页码: 12
作者:  Jiang, Yiming;  Li, Shuai;  Huang, Di;  Bao, Zebin;  Wang, Jiemin;  Zhu, Shenglong;  Wang, Fuhui
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Pt-modified aluminide coating  alpha-Al 2 O 3 decohesion  Impurity segregation  Embrittlement  First-principles calculations