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Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 221, 页码: 36-45
作者:  Su, Qiwen;  Chen, Lei;  Yin, Lichang;  Zhao, Jingxiang
收藏  |  浏览/下载：8/0  |  提交时间：2025/04/27
Co electroreduction  Multicarbon products  2D metal dichlorides  Cl vacancy  DFT computations  
Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications 期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2025, 卷号: 190, 页码: 11
作者:  Rahman, Attaur;  Abid, Aqsa;  Haneef, Muhammad;  Amin, Bin;  Elmasry, Yasser
收藏  |  浏览/下载：6/0  |  提交时间：2025/04/27
Double perovskite halide oxides  Optoelectronic  Photocatalytic applications  Density functional theory  Mechanical properties  Direct band gap  
Exploring 1,3,4-Oxadiazole derivatives of 3,4-Dihydroxyphenylacetic acid as potent α-glucosidase inhibitors: Synthesis, structure-activity relationship, molecular docking, and DFT studies 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2025, 卷号: 1327, 页码: 11
作者:  Khan, Hammad;  Jan, Faheem;  Aqsa;  Ullah, Qudrat;  Alasmari, Abdullah F.;  Alasmari, Fawaz;  Khan, Ajmal;  Ullah, Saeed;  Alam, Aftab;  Al-Harrasi, Ahmed;  Khan, Momin;  Ali, Shaukat
收藏  |  浏览/下载：7/0  |  提交时间：2025/04/27
Oxadiazole  & Acy  3,4-dihydroxyphenylacetic acid  Spectroscopy  Molecular docking and DFT  -glucosidase  
The atomic formation mechanism of GP zones in Al-Cu alloys: Insights from cluster expansion coupled with Monte Carlo simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 252, 页码: 11
作者:  Fan, Weiqi;  Gong, Tongzhao;  Hao, Weiye;  Chen, Yun;  Chen, Xing-Qiu
收藏  |  浏览/下载：6/0  |  提交时间：2025/04/27
GP zones  Al-cu alloys  Cluster expansion  Monte Carlo simulation  Vacancy  Magnesium  
Deep-Learning Potential Molecular Dynamics Study on Nanopolycrystalline Al-Er Alloys: Effects of Er Concentration, Grain Boundary Segregation, and Grain Size on Plastic Deformation 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2025, 页码: 12
作者:  Chang, Zhen;  Feng, Li;  Xue, Hong-Tao;  Yang, Yan-Hong;  Ren, Jun-Qiang;  Tang, Fu-Ling;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载：8/0  |  提交时间：2025/04/27
The Fe-N system: crystal structure prediction, phase stability, and mechanical properties 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 251, 页码: 12
作者:  Bao, Ergen;  Zhao, Jinbin;  Gao, Qiang;  Shahid, Ijaz;  Ma, Hui;  Luo, Yixiu;  Liu, Peitao;  Sun, Yan;  Chen, Xing-Qiu
收藏  |  浏览/下载：5/0  |  提交时间：2025/04/27
First-principles  Fe-N compounds  Mechanical properties  Hardness  
Growth mechanism and product formation of Micro-arc oxide film layers on aluminum matrix composites: An analytical experimental and computational simulation study 期刊论文
APPLIED SURFACE SCIENCE, 2025, 卷号: 684, 页码: 12
作者:  Ma, Guofeng;  Li, Zhanpeng;  Zhao, Xiaorong;  Wang, Ziyao;  Sun, Shineng;  Yang, Yanhong;  Sun, Yuan;  Wang, Shiyang;  Ren, Shengtao;  Kou, Ronghui
收藏  |  浏览/下载：7/0  |  提交时间：2025/04/27
Micro-arc oxidation  Density functional theory  Growth mechanism  17% SiCp/ 2009 AMC  
Highly efficient layered Ir sub-nanoclusters for antibacterial application 期刊论文
NANO RESEARCH, 2025, 卷号: 18, 期号: 3, 页码: 8
作者:  Yang, Lini;  Zhu, Pengbo;  Li, Tao;  Jiao, Yueyue;  Cai, Xiangbin;  Liang, Jialan;  Zhang, Hexin;  Wang, Ning;  Chen, Xiaowen;  Liu, Hongyang
收藏  |  浏览/下载：6/0  |  提交时间：2025/04/27
defect-rich graphene  Ir catalyst  sub-nanocluster  peroxidase-like activity  antibacterial application  
NIR-triggering cobalt single-atom enzyme switches off-to-on for boosting the interactive dynamic effects of multimodal phototherapy 期刊论文
NATURE COMMUNICATIONS, 2025, 卷号: 16, 期号: 1, 页码: 17
作者:  Dai, Hao;  Han, Ali;  Wang, Xijun;  Zhu, Peng;  Wang, Dingsheng;  Wang, Yuguang
收藏  |  浏览/下载：16/0  |  提交时间：2025/04/27
NIR-triggering cobalt single-atom enzyme switches off-to-on for boosting the interactive dynamic effects of multimodal phototherapy 期刊论文
NATURE COMMUNICATIONS, 2025, 卷号: 16, 期号: 1, 页码: 17
作者:  Dai, Hao;  Han, Ali;  Wang, Xijun;  Zhu, Peng;  Wang, Dingsheng;  Wang, Yuguang
收藏  |  浏览/下载：18/0  |  提交时间：2025/04/27