Ab initio study of doping effects on LiMnO2 and Li2MnO3 in OLO cathode for Li ion batteries

2013 ◽  
Keyword(s):  
Ab Initio ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Doping Effects ◽  
Li Ion

scholarly journals Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
A. Rajkamal ◽  
E. Mathan Kumar ◽  
V. Kathirvel ◽  
Noejung Park ◽  
Ranjit Thapa
Keyword(s):  
Ab Initio ◽  
Anode Material ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Carbon Structure ◽  
Si Doped ◽  
Li Ion

Ab initio study of the operating mechanisms of tris(trimethylsilyl) phosphite as a multifunctional additive for Li-ion batteries

2017 ◽  
Vol 355 ◽  
pp. 154-163 ◽  
Author(s):  
Dong Young Kim ◽  
Hosang Park ◽  
Woon Ih Choi ◽  
Basab Roy ◽  
Jinah Seo ◽  
...  
Keyword(s):  
Ab Initio ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Multifunctional Additive ◽  
Li Ion

Ab initio study of doping effects on LiMnO2 and Li2MnO3 cathode materials for Li-ion batteries

2015 ◽  
Vol 3 (16) ◽  
pp. 8489-8500 ◽  
Author(s):  
Fantai Kong ◽  
Roberto C. Longo ◽  
Min-Sik Park ◽  
Jaegu Yoon ◽  
Dong-Hee Yeon ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Phase Stability ◽  
Cathode Materials ◽  
Density Functional ◽  
Electronic Conductivity ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Functional Theory ◽  
Doping Effects ◽  
Li Ion

The influence of 10 cationic (Mg, Ti, V, Nb, Fe, Ru, Co, Ni, Cu and Al) and 2 anionic (N and F) dopants on the phase stability, redox potential, ionic and electronic conductivity of both Li2MnO3 and LiMnO2 phases have been investigated using density functional theory.

Li2FePO4F and its metal-doping for Li-ion batteries: an ab initio study

RSC Advances ◽  
2014 ◽  
Vol 4 (91) ◽  
pp. 50195-50201 ◽  
Author(s):  
Fengmei Yang ◽  
Weiwei Sun ◽  
Yuhan Li ◽  
Haiyan Yuan ◽  
Zhiyong Dong ◽  
...  
Keyword(s):  
Ab Initio ◽  
Cathode Materials ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Metal Doping ◽  
Li Ion ◽  
Discharge Potential

The substitution of Co for Fe in Pnma-Li2FePO4F i.e. Li2Fe1−xCoxPO4F (x = 1/8, 2/8, 3/8, 4/8, 5/8, 6/8, 7/8) are stable enough as new cathode materials and with the concentration of Co increases the discharge potential of the materials can increase.

Effects of Al-doping on the properties of Li–Mn–Ni–O cathode materials for Li-ion batteries: an ab initio study

2013 ◽  
Vol 1 (32) ◽  
pp. 9273 ◽  
Author(s):  
Arezoo Dianat ◽  
Nicola Seriani ◽  
Manfred Bobeth ◽  
Gianaurelio Cuniberti
Keyword(s):  
Ab Initio ◽  
Cathode Materials ◽  
Li Ion Batteries ◽  
Ab Initio Study ◽  
Al Doping ◽  
Li Ion
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