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First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces 期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 71, 页码: 43412-43419
作者:  Zhang, Xin;  Sun, Shenghui;  Wang, Shaoqing
收藏  |  浏览/下载:10/0  |  提交时间:2021/03/15
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:  Liu, J.;  Du, X.;  Li, J.
收藏  |  浏览/下载:10/0  |  提交时间:2021/03/15
Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding 期刊论文
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12
作者:  Zhang, Qihua;  Smalley, Adam;  Zhu, Zhengdan;  Xu, Zhijian;  Peng, Cheng
收藏  |  浏览/下载:52/0  |  提交时间:2020/12/21
Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study 期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:  Li, Yamin;  Chen, Yinping;  Liu, Hongjun
收藏  |  浏览/下载:20/0  |  提交时间:2020/12/18
Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study 期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:  Li Yamin;  Chen Yinping;  Liu Hongjun
收藏  |  浏览/下载:13/0  |  提交时间:2022/03/01
Vibrational Entropy Stabilizes Distorted Half-Heusler Structures 期刊论文
CHEMISTRY OF MATERIALS, 2020, 卷号: 32
作者:  Guo, Shuping;  Anand, Shashwat;  Zhang, Yongsheng;  Snyder, G. Jeffrey
收藏  |  浏览/下载:2/0  |  提交时间:2020/10/29
Influence of Temperature on Mechanical Properties of Nanocrystalline 316L Stainless Steel Investigated via Molecular Dynamics Simulations 期刊论文
Materials, 2020, 卷号: 12, 期号: 13, 页码: 2803
作者:  Husain, Abdelrahim;  Peiqing La(喇培清);  Yuehong Zheng(郑月红);  Jie Sheng(盛捷)
收藏  |  浏览/下载:10/0  |  提交时间:2021/02/10
High-Valence Nickel Single-Atom Catalysts Coordinated to Oxygen Sites for Extraordinarily Activating Oxygen Evolution Reaction 期刊论文
ADVANCED SCIENCE, 2020, 卷号: 7, 期号: 5, 页码: 8
作者:  Li, Yaguang;  Wu, Zhong-Shuai;  Lu, Pengfei;  Wang, Xiao;  Liu, Wei
收藏  |  浏览/下载:56/0  |  提交时间:2021/02/02
Predicting equilibrium intramolecular isotope distribution within a large organic molecule by the cutoff calculation 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2020, 卷号: 269, 页码: 292-302
作者:  He YY(何雨旸);  Bao HM;  Liu Y
收藏  |  浏览/下载:57/0  |  提交时间:2020/03/11
Dual-Metal Interbonding as the Chemical Facilitator for Single-Atom Dispersions 期刊论文
ADVANCED MATERIALS, 2020
作者:  Zhou, Yao;  Song, Erhong;  Chen, Wei;  Segre, Carlo U.;  Zhou, Jiadong
收藏  |  浏览/下载:126/0  |  提交时间:2020/12/16


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