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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  
Formation mechanism of TiC twin during densification of SiCf/ Ti2AlNb composites 期刊论文
MATERIALS LETTERS, 2024, 卷号: 375, 页码: 4
作者:  Jiang, Jiachen;  Wang, Yumin;  Yang, Lina;  Hu, Jianan;  Zhang, Xu;  Jia, Qiuyue;  Zhang, Yuming;  Kong, Xu;  Zhang, Guoxing;  Yang, Qing;  Yang, Rui
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Metallic composites  Interfaces  Crystal structure  Diffusion  
Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study 期刊论文
PHYSICA B-CONDENSED MATTER, 2024, 卷号: 688, 页码: 9
作者:  Yang, Tao;  Yu, Wei-Yuan;  Xue, Hong-Tao;  Yang, Yan-Hong;  Tang, Fu-Ling;  Zhang, Yong;  Ren, Jun-Qiang;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Rare-earth Al alloys  Substitution formation energy  gamma-Al/gamma '-Al3Sc phase interfaces  Interfacial segregation  First-principles calculation  
Modulating band alignment at the 3D metal/semiconductor interface of liquid metal-embraced semiconductor photoelectrodes for water splitting 期刊论文
SCIENCE CHINA-MATERIALS, 2024, 卷号: 67, 期号: 6, 页码: 1804-1811
作者:  Chen, Xiangtao;  Zhen, Chao;  Qiu, Jianhang;  Li, Na;  Jia, Nan;  Liu, Gang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
metal-embraced photoelectrodes  3D interfaces  Ohmic contact  water splitting  
Time-dependent high-pressure CO2-induced corrosion and mechanical degradation in lightweight fly-ash cement/P110 steel system 期刊论文
CORROSION SCIENCE, 2024, 卷号: 231, 页码: 18
作者:  Wang, Shuliang;  Wang, Shidong;  Wen, Zidan;  Yao, Mengjun;  Wu, Mingyu
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Steel  Concrete  CO2 corrosion  Interfaces  Rust  
Recoverable tuning of lattice mismatch and strength in ultrastable-nanostructured Cu/Ag spinodoid alloys 期刊论文
ACTA MATERIALIA, 2024, 卷号: 269, 页码: 11
作者:  Yang, Sheng-Nan;  Xie, Hui;  Guan, Huai;  Jin, Hai -Jun
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Spinodoid alloys  Dealloying  Electrodeposition  Semi-coherent interfaces  Thermal stability  Strength  Hardness  
Thermally induced reaction and transient hardening of miscible spinodoid alloys 期刊论文
ACTA MATERIALIA, 2024, 卷号: 265, 页码: 12
作者:  Guan, Huai;  Xie, Hui;  Li, Cui-Hong;  Jin, Hai-Jun
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Spinodoid alloys  Thermal stability  Hardening  Diffusion  Coherent and semicoherent interfaces