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Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
Authors:  Cheng, Chao;  Wang, Shaoqing
Favorite  |  View/Download:19/0  |  Submit date:2022/10/08
Fourier projection method  molecular dynamics  anharmonic vibration  thermal conductivity  
Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
Authors:  Guan, Yue;  Li, Xiaodan;  Hu, Qingmiao;  Zhao, Dandan;  Zhang, Lin
Favorite  |  View/Download:17/0  |  Submit date:2022/09/16
First principle calculations  2D materials  Heterojunction  Electronic structure  Electric field  Photovoltaic applications  
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
Authors:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
Favorite  |  View/Download:15/0  |  Submit date:2022/09/16
Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
Favorite  |  View/Download:22/0  |  Submit date:2022/09/16
MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
Favorite  |  View/Download:15/0  |  Submit date:2022/09/16
MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Cucumber (Cucumis sativus L.) Leaf Extract as a Green Corrosion Inhibitor for Carbon Steel in Acidic Solution: Electrochemical, Functional and Molecular Analysis 期刊论文
MOLECULES, 2022, 卷号: 27, 期号: 12, 页码: 18
Authors:  Feng, Lijuan;  Zhang, Shanshan;  Hao, Long;  Du, Hongchen;  Pan, Rongkai;  Huang, Guofu;  Liu, Haijian
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carbon steel  extract  green corrosion inhibitor  quantum chemical calculation  
Exploring Hf-Ta-O precipitation upon ablation of Hf-Ta-Si-C coating on C/C composites 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 6, 页码: 2586-2596
Authors:  Tong, Mingde;  Chen, Chunjin;  Fu, Qiangang;  Feng, Tao;  Hou, Wanbo;  Zhang, Jiaping;  Sun, Jia;  Zhou, Lei
Favorite  |  View/Download:26/0  |  Submit date:2022/07/01
Ultrahigh temperature ceramics  Precipitation  Ablation  Coating  
Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives 期刊论文
ADVANCED ENERGY MATERIALS, 2022, 页码: 29
Authors:  Olsson, Emilia;  Yu, Jiale;  Zhang, Haiyan;  Cheng, Hui-Ming;  Cai, Qiong
Favorite  |  View/Download:24/0  |  Submit date:2022/07/14
anodes  density functional theory  lithium-ion batteries  materials design  molecular dynamics  potassium-ion batteries  sodium-ion batteries  
Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method 期刊论文
CARBON, 2022, 卷号: 191, 页码: 350-361
Authors:  Long, X. H.;  Setyawan, W.;  Tai, K. P.;  Liu, Y.;  Yu, M. S.;  Wang, Z. Q.;  Gao, N.;  Wang, X. L.
Favorite  |  View/Download:29/0  |  Submit date:2022/07/01
Molecular dynamics  Graphite  Atomic implantation  Radiation defects  Bending properties  
Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene 期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 4, 页码: 2183-2187
Authors:  Kong, Lingyi;  Chen, Zhe;  Cai, Qinghai;  Yin, Lichang;  Zhao, Jingxiang
Favorite  |  View/Download:20/0  |  Submit date:2022/07/14
CO reduction  Electrocatalysis  Multi-carbon products  Density functional theory  2D black phosphorene