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Transitional structure of {0001} twin in a deformed p-type (Bi,Sb)2Te3 alloy: a direct experimental basis for understanding the twinning mechanism 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 47, 页码: 32578-32583
作者:  Ren, Jie;  Guo, Wenbin;  Han, Fuzhou;  Wang, Qichen;  Cao, Yi;  Li, Songbin;  Li, Geping;  Ali, Muhammad;  Hu, Jianan;  Yuan, Fusen;  Zhang, Yingdong
收藏  |  浏览/下载：2/0  |  提交时间：2024/01/07
Ultrasmall SnFe2O4 nanoparticles anchored on N-doped carbon nanofibers for ultralight and high-performance microwave absorption 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 45, 页码: 30832-30837
作者:  Guan, Guangguang;  Li, Xiaoqiang;  Li, Yao;  Tong, Siyi;  Xiang, Jun;  Zhang, Kaiyin
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/07
Effects of temperature on microstructures of MSA-type electroplating solution: a coarse-grained molecular dynamics simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 41, 页码: 28272-28281
作者:  Li, Teng;  Liang, Ce;  Yu, Kaifeng;  Li, Jichen;  Lin, Chengjiang;  Li, Hongfei;  Xu, Yongzi;  Cai, Shanshan;  Zhu, Qingsheng;  Huang, Qingrong;  Xing, Wei;  Duan, Xiaozheng
收藏  |  浏览/下载：9/0  |  提交时间：2024/01/07
Insight into the Fe atom-FeS cluster synergistic catalysis mechanism for the oxygen evolution reaction in NiS2-based electrocatalysts 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 41, 页码: 28326-28335
作者:  Zhang, Changhong;  Zhang, Lulu;  Meng, Kun;  Yang, Yongqiang;  Hou, Chengyi;  Ming, Sen;  Rong, Ju;  Yan, Wei;  Zhang, Yannan;  Yu, Xiaohua
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/08
Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion 期刊论文
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:  Li, Yongle;  Xu, Feng;  Hou, Long;  Sun, Luchao;  Su, Haijun;  Li, Xi;  Ren, Wei
收藏  |  浏览/下载：15/0  |  提交时间：2024/01/07
Molecular dynamics  Atomic cluster expansion  Fe-Co Alloy  Density functional theory  Phase transition  Force field  
Theoretical insights into the stability of buckled tetragonal graphene and the prediction of novel carbon allotropes 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 18, 页码: 13116-13125
作者:  Cheng, Chao;  Zhang, Xin;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：3/0  |  提交时间：2024/01/07
A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 18, 页码: 11030-11038
作者:  Zhi, ShuaiKe;  Lian, Zan;  Si, ChaoWei;  Jan, Faheem;  Yang, Min;  Li, Bo
收藏  |  浏览/下载：106/0  |  提交时间：2022/07/01
Revealing the role of HBr in propane dehydrogenation on CeO2(111) via DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 16, 页码: 9718-9726
作者:  Jan, Faheem;  Lian, Zan;  Zhi, Shuaike;  Yang, Min;  Si, Chaowei;  Li, Bo
收藏  |  浏览/下载：97/0  |  提交时间：2022/07/01
Two-dimensional layered MSi2N4 (M = Mo, W) as promising thermal management materials: a comparative study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
作者:  Shen, Chen;  Wang, Lei;  Wei, Donghai;  Zhang, Yixuan;  Qin, Guangzhao;  Chen, Xing-Qiu;  Zhang, Hongbin
收藏  |  浏览/下载：89/0  |  提交时间：2022/07/01
Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 11
作者:  Cheng, Renfei;  Hu, Tao;  Wang, Zuohua;  Yang, Jinxing;  Dai, Ruqiao;  Wang, Weizhen;  Cui, Cong;  Liang, Yan;  Zhang, Chao;  Li, Cuiyu;  Wang, Hailong;  Lu, Hongxia;  Yang, Zhiqing;  Zhang, Hongwang;  Wang, Xiaohui
收藏  |  浏览/下载：152/0  |  提交时间：2021/11/22