scholarly journals Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamics

2013 ◽  
Vol 15 (43) ◽  
pp. 19049 ◽  
Author(s):  
Volker Haigis ◽  
François-Xavier Coudert ◽  
Rodolphe Vuilleumier ◽  
Anne Boutin
Keyword(s):  
Molecular Dynamics ◽  
First Principles ◽  
Metal Organic Framework ◽  
Structure And Dynamics ◽  
Metal Organic ◽  
Organic Framework ◽  
First Principles Molecular Dynamics

Experimental and first-principles study of a metal–organic framework with sulfur embedding cathode for enhanced performance lithium–sulfur battery

2018 ◽  
Vol 2 (8) ◽  
pp. 1828-1836 ◽  
Author(s):  
Yan Feng ◽  
Yuliang Zhang ◽  
Guixiang Du ◽  
Jingbo Zhang ◽  
Xiaohui Qu
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Metal Organic Framework ◽  
Cobalt Metal ◽  
Lithium Sulfur Battery ◽  
First Principles Study ◽  
Metal Organic ◽  
Sulfur Battery ◽  
Lithium Sulfur ◽  
Organic Framework

A cobalt metal–organic framework, CoMOF–S, as host cathode material to immobilize sulfur for Li–S batteries was prepared in this study.

Sign in / Sign up

Export Citation Format

Share Document