Structural and Magnetic Properties of 3d Transition-Metal-Atom Adsorption on Perfect and Defective Graphene: A Density Functional Theory Study

ChemPhysChem ◽  
2013 ◽  
Vol 14 (15) ◽  
pp. 3483-3488 ◽  
Author(s):  
Tingting Zhang ◽  
Liyan Zhu ◽  
Shijun Yuan ◽  
Jinlan Wang
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Transition Metal ◽  
Metal Atom ◽  
Density Functional ◽  
Transition Metal Atom ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Structural And Magnetic Properties ◽  
Defective Graphene

Steady semiconducting properties of monolayer PtSe2 with non-metal atom and transition metal atom doping

2020 ◽  
Vol 22 (10) ◽  
pp. 5765-5773 ◽  
Author(s):  
Xu Zhao ◽  
Ranzhuo Huang ◽  
Tianxing Wang ◽  
Xianqi Dai ◽  
Shuyi Wei ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Metal Atom ◽  
Density Functional ◽  
Transition Metal Atom ◽  
Functional Theory ◽  
Semiconducting Properties

Based on density functional theory, the electronic structure and magnetic properties of monolayer PtSe2 doped with different atoms were studied.

Sign in / Sign up

Export Citation Format

Share Document