First-principles studies on surface electronic structure and stability of LiFePO4

2009 ◽  
Vol 476 (1-2) ◽  
pp. 462-465 ◽  
Author(s):  
Xiaofang Ouyang ◽  
Molin Lei ◽  
Siqi Shi ◽  
Cuilan Luo ◽  
Desheng Liu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Structure And Stability ◽  
Surface Electronic Structure

Methane Activation on Single-Atom Ir-doped Metal Nanoparticles from First-principles

2021 ◽  
Author(s):  
Yugang Ren ◽  
Xiaojing Liu ◽  
Zhaojun Zhang ◽  
Xiangjian Shen
Keyword(s):  
Electronic Structure ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
First Principles ◽  
Methane Activation ◽  
Single Atom ◽  
Surface Electronic Structure

The breaking of the C-H bond of CH4 is of great importance and one of the most efficient strategies in heterogeneous catalysis is to alter surface electronic structure by doping...

Sign in / Sign up

Export Citation Format

Share Document