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First-principles study on the atomic structure of two-dimensional molybdenum boride 期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 3
Authors:  Ma,Linlin;  Cheng,Chao;  Zhang,Xin;  Wang,Shaoqing
Favorite  |  View/Download:7/0  |  Submit date:2022/07/01
2D molybdenum boride  binding energy  chemical bonding  atomic structure stability  low-dimensional material  
Molecular dynamics investigation on tilt grain boundary energies of beta-titanium and tungsten at high temperature 期刊论文
Materials Research Express, 2021, 卷号: 8, 期号: 11
Authors:  He,Hong;  Ma,Shangyi;  Wang,Shaoqing
Favorite  |  View/Download:16/0  |  Submit date:2022/01/27
molecular dynamics simulation  grain boundary energy  beta-titanium  tungsten  
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
Favorite  |  View/Download:73/0  |  Submit date:2021/02/02
first-principles calculation  graphyne-metal interface  adsorption type  lattice mismatch  bonding mechanism