First-Principles Study of Orthorhombic and Xerogel-V2O5 As Mg (and Multi-valent) Battery Cathode Materials

2016 ◽  
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
First Principles Study

The potential application of black and blue phosphorene as cathode materials in rechargeable aluminum batteries: a first-principles study

2019 ◽  
Vol 21 (13) ◽  
pp. 7021-7028 ◽  
Author(s):  
Xiang Xiao ◽  
Mingyong Wang ◽  
Jiguo Tu ◽  
Shuqiang Jiao
Keyword(s):  
Cathode Material ◽  
Cathode Materials ◽  
First Principles ◽  
Industrial Application ◽  
Potential Application ◽  
Aluminum Ion ◽  
First Principles Study ◽  
Blue Phosphorene

Developing a suitable cathode material for rechargeable aluminum-ion batteries (AIBs) is currently recognized as a key challenge in pushing AIBs from lab-level to industrial application.

A first-principles study of the preventive effects of Al and Mg doping on the degradation in LiNi0.8Co0.1Mn0.1O2 cathode materials

2017 ◽  
Vol 19 (3) ◽  
pp. 1762-1769 ◽  
Author(s):  
Kyoungmin Min ◽  
Seung-Woo Seo ◽  
You Young Song ◽  
Hyo Sug Lee ◽  
Eunseog Cho
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Mg Doping ◽  
First Principles Study ◽  
Preventive Effects

Effects of Al and Mg doping on the prevention of degradation phenomena in Li(Ni0.8Co0.1Mn0.1)O2 cathode materials.

scholarly journals First-principles study of rare-earth-doped cathode materials Li2MnO3 in Li-ion batteries

2019 ◽  
Vol 68 (13) ◽  
pp. 138201
Author(s):  
Lu-Min Zheng ◽  
Shu-Ying Zhong ◽  
Bo Xu ◽  
Chu-Ying Ouyang
Keyword(s):  
Rare Earth ◽  
Cathode Materials ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Rare Earth Doped

scholarly journals First principles study of electrocatalytic behavior of olivine phosphates with mixed alkali and mixed transition metal atoms

RSC Advances ◽  
2020 ◽  
Vol 10 (49) ◽  
pp. 29175-29180
Author(s):  
Arup Chakraborty ◽  
Sooraj Kunnikuruvan ◽  
David Zitoun ◽  
Dan T. Major
Keyword(s):  
Transition Metal ◽  
Cathode Materials ◽  
First Principles ◽  
Catalytic Performance ◽  
First Principles Study ◽  
Mixed Alkali ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Mixed Transition

Li transition metal olivine phosphates are proposed as good cathode materials and electrocatalysts for OER. This first principles study provides new insights into the catalytic performance of olivine phosphates with mixed alkali, mixed transition metal, and Li vacancies.

First-principles study on doping effect of Sn in BiF 3 as cathode materials for Li-ion battery

2016 ◽  
Vol 16 (1) ◽  
pp. 12-19 ◽  
Author(s):  
Zhenhua Yang ◽  
Shuncheng Tan ◽  
Yunqing Huang ◽  
Xianyou Wang ◽  
Yong Pei
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Doping Effect ◽  
Li Ion Battery ◽  
First Principles Study ◽  
Li Ion

Cu- and Fe-hexacyanoferrate as cathode materials for Potassium ion battery: A First-principles study

2017 ◽  
Vol 687 ◽  
pp. 244-249 ◽  
Author(s):  
Ehsan Targholi ◽  
S. Morteza Mousavi-Khoshdel ◽  
Mohmmadsafi Rahmanifara ◽  
M.Z.A. Yahya
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Potassium Ion ◽  
First Principles Study
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