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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
Authors:  Zhang, Xin;  Sun, Shenghui;  Wang, Shaoqing
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Seamlessly Splicing Metallic SnxMo1-xS2 at MoS2 Edge for Enhanced Photoelectrocatalytic Performance in Microreactor 期刊论文
ADVANCED SCIENCE, 2020, 卷号: 7, 期号: 24, 页码: 8
Authors:  Shao, Gonglei;  Lu, Yizhen;  Hong, Jinhua;  Xue, Xiong-Xiong;  Huang, Jinqiang;  Xu, Zheyuan;  Lu, Xiangchao;  Jin, Yuanyuan;  Liu, Xiao;  Li, Huimin;  Hu, Sheng;  Suenaga, Kazu;  Han, Zheng;  Jiang, Ying;  Li, Shisheng;  Feng, Yexin;  Pan, Anlian;  Lin, Yung-Chang;  Cao, Yang;  Liu, Song
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chemical vapor deposition  covalent bonds  heteroatom doping  metal–  semiconductor heterostructures  photoelectrocatalytic performance  
First-principles investigation on the bonding mechanism between graphyne and the (111) surface of Cu, Ag and Au 期刊论文
Materials Research Express, 2020, 卷号: 7, 期号: 6
Authors:  Sun,Shenghui;  Zhang,Xin;  Wang,Shaoqing
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first-principles calculation  graphyne-metal interface  adsorption type  lattice mismatch  bonding mechanism  
Atomic bonding and electronic stability of the binary sigma phase 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 811, 页码: 8
Authors:  Liu, Wei;  Lu, Xiao-Gang;  Hu, Qing-Miao;  Wang, Hao;  Liu, Yi;  Boulet, Pascal;  Record, Marie-Christine
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sigma phase  atomic bonding  electronic stability  DOS  ELF  first-principles calculations  
Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
Authors:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin;  Inoue, Kazutoshi;  Akagi, Kazuto;  Ikuhara, Yuichi
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Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature  
Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
Authors:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin;  Inoue, Kazutoshi;  Akagi, Kazuto;  Ikuhara, Yuichi
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Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature  
Amino group functionalized SiO2@graphene oxide for efficient removal of Cu(II) from aqueous solutions 期刊论文
CHEMICAL ENGINEERING RESEARCH & DESIGN, 2019, 卷号: 145, 页码: 235-244
Authors:  Li, Min;  Feng, Jian;  Huang, Kun;  Tang, Si;  Liu, Ruihua;  Li, Huan;  Ma, Fuye;  Meng, Xiaojing
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Graphene oxide  Silica gel  Adsorption  Cu(II)  
Deformation induced twinning and phase transition in an interstitial intermetallic compound niobium boride 期刊论文
ACTA MATERIALIA, 2019, 卷号: 165, 页码: 459-470
Authors:  Jiang, Binbin;  Chen, Chunjin;  Wang, Xuelu;  Wang, Hao;  Wang, Weizhen;  Ye, Hengqiang;  Du, Kui
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Twinning  Phase transition  Stacking faults  Interstitial compound  Scanning transmission electron microscopy  
The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods 期刊论文
ELSEVIER SCIENCE SA, 2017, 卷号: 726, 页码: 173-178
Authors:  Ma, Huannan;  Mi, Guofa;  Cheng, Xiyue;  Liu, Chen;  Li, Dianzhong;  Li, Yiyi;  Xu, Lei;  Chen, Xing-Qiu;  Xu, L (reprint author), Henan Polytech Univ, Sch Mat Sci & Engn, Jiaozuo 454000, Peoples R China.;  Chen, XQ (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci SYNL, IMR, Shenyang 110016, Liaoning, Peoples R China.;  Cheng, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter FJIRSM, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China.
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Layered Rare Earth Borocarbide  Electronic Structure  Ideal Strength  First-principle Calculations  
Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2 期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2016, 卷号: 99, 期号: 8, 页码: 2693-2698
Authors:  Liu, B;  Petersen, B;  Zhang, YW;  Wang, JY;  Weber, WJ;  Liu, B (reprint author), Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.;  Weber, WJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.;  Weber, WJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.;  Wang, JY (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
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Max Phases  Layered Crystal Structures  Density Functional Theory  Carbides