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浏览/检索结果: 共243条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 Spinel inversion-induced magnetic coupling transitions at antiphase boundaries 期刊论文  OAI收割 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   |  收藏  |  浏览/下载：1/0  |  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  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 247, 页码: 8 作者:  Li, Shuai;  Li, Peng;  Jiang, Yixiao;  Li, Xiang;  Zhang, Sheng   |  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  OAI收割 ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11 作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting   |  收藏  |  浏览/下载：1/0  |  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  OAI收割 ACTA MATERIALIA, 2025, 卷号: 282, 页码: 11 作者:  Li, Xiang;  Jiang, Yixiao;  Jin, Qianqian;  Qin, Fei;  Yao, Tingting   |  收藏  |  浏览/下载：1/0  |  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  OAI收割 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   |  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  OAI收割 ADVANCED MATERIALS, 2024, 页码: 9 作者:  Cao, Shimin;  Zheng, Runjie;  Wang, Cong;  Ma, Ning;  Chen, Mantang   |  收藏  |  浏览/下载：1/0  |  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  OAI收割 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   |  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  OAI收割 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   |  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   A comparative first-principles study on the physical properties of Gd2Zr2O7 weberite and pyrochlore 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 245, 页码: 7 作者:  Liu, Chenguang;  Gao, Rongrong;  Xia, Yue;  Xia, Xiaoyi;  Shi, Tan   |  收藏  |  浏览/下载：69/0  |  提交时间：2024/10/08 Weberite  Pyrochlore  First principles calculations  Physical properties   Surface corrosion behavior of (3-(Ni,Pt)Al coating: α-Al2O3 decohesion-induced failure mechanism 期刊论文  OAI收割 APPLIED SURFACE SCIENCE, 2024, 卷号: 669, 页码: 12 作者:  Jiang, Yiming;  Li, Shuai;  Huang, Di;  Bao, Zebin;  Wang, Jiemin   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Pt-modified aluminide coating  alpha-Al 2 O 3 decohesion  Impurity segregation  Embrittlement  First-principles calculations