First-principles study of χ3-borophene for charge-modulated switchable CO2 capture

2020 ◽  
Vol 22 (16) ◽  
pp. 8864-8869
Author(s):  
Wenwei Luo ◽  
Hewen Wang ◽  
Zhiqiang Wang ◽  
Gang Liu ◽  
Sanqiu Liu ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Co2 Capture ◽  
First Principles ◽  
High Selectivity ◽  
High Capacity ◽  
First Principles Study

χ3-Borophene is a new promising charge-modulated switchable CO2 capture material with high capacity, high selectivity, and excellent electrical conductivity.

scholarly journals Mo2C as a high capacity anode material: a first-principles study

2016 ◽  
Vol 4 (16) ◽  
pp. 6029-6035 ◽  
Author(s):  
Deniz Çakır ◽  
Cem Sevik ◽  
Oğuz Gülseren ◽  
Francois M. Peeters
Keyword(s):  
Electrical Conductivity ◽  
Anode Material ◽  
First Principles ◽  
Open Circuit Voltage ◽  
High Capacity ◽  
Open Circuit ◽  
Ion Diffusion ◽  
First Principles Study ◽  
Fast Ion

Its good electrical conductivity, fast ion diffusion, good average open-circuit voltage and theoretical capacity suggest that the Mo2C monolayer can be utilized as a promising anode material.

First-Principles Study of Electrocatalytically Reversible CO2 Capture on Graphene-like C3 N

ChemPhysChem ◽  
2018 ◽  
Vol 19 (20) ◽  
pp. 2788-2795 ◽  
Author(s):  
Gangqiang Qin ◽  
Qianyi Cui ◽  
Weihua Wang ◽  
Ping Li ◽  
Aijun Du ◽  
...  
Keyword(s):  
Co2 Capture ◽  
First Principles ◽  
First Principles Study

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

2020 ◽  
Vol 509 ◽  
pp. 145392 ◽  
Author(s):  
Chaozheng He ◽  
Ran Wang ◽  
Dan Xiang ◽  
Xiuyuan Li ◽  
Ling Fu ◽  
...  
Keyword(s):  
Metal Atom ◽  
Co2 Capture ◽  
First Principles ◽  
First Principles Study ◽  
Co2 Capture Capacity ◽  
Capture Capacity

First-principles study of high-capacity hydrogen storage on graphene with Li atoms

2012 ◽  
Vol 73 (2) ◽  
pp. 245-251 ◽  
Author(s):  
Weiwei Zhou ◽  
Jingjing Zhou ◽  
Jingqin Shen ◽  
Chuying Ouyang ◽  
Siqi Shi
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
High Capacity ◽  
First Principles Study

First-Principles Study of Novel Conversion Reactions for High-Capacity Li-Ion Battery Anodes in the Li–Mg–B–N–H System

2011 ◽  
Vol 115 (33) ◽  
pp. 16681-16687 ◽  
Author(s):  
Tim H. Mason ◽  
Xiangfeng Liu ◽  
J. Hong ◽  
J. Graetz ◽  
E. H. Majzoub
Keyword(s):  
First Principles ◽  
High Capacity ◽  
Li Ion Battery ◽  
First Principles Study ◽  
Li Ion
Sign in / Sign up

Export Citation Format

Share Document