First-principles study on the adsorption structure and electrical properties of P2S5-adsorbed Li S(110) surface

2021 ◽  
pp. 121851
Author(s):  
Fenning Zhao ◽  
Hongtao Xue ◽  
Chengdong Wei ◽  
Zhou Li ◽  
Fuling Tang
Keyword(s):  
Electrical Properties ◽  
First Principles ◽  
Adsorption Structure ◽  
First Principles Study

scholarly journals The electrical properties and modulation of g-C3N4/β-As and g-C3N4/β-Sb heterostructures: a first principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (66) ◽  
pp. 38724-38729
Author(s):  
Bo Liang ◽  
Yongchao Rao ◽  
Xiangmei Duan
Keyword(s):  
Density Functional Theory ◽  
Electrical Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
First Principles Study

The electronic properties of the g-C3N4/β-As and g-C3N4/β-Sb heterojunctions are investigated via density functional theory.

First Principles Study of the Adsorption Structure of Ethylene on Ge(001) Surface

2010 ◽  
Vol 114 (5) ◽  
pp. 2200-2207 ◽  
Author(s):  
X. L. Fan ◽  
C. C. Sun ◽  
Y. F. Zhang ◽  
W. M. Lau
Keyword(s):  
First Principles ◽  
Adsorption Structure ◽  
First Principles Study
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