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

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

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

Phase stability of Li–Mn–O oxides as cathode materials for Li-ion batteries: insights from ab initio calculations

2014 ◽  
Vol 16 (23) ◽  
pp. 11233-11242 ◽  
Author(s):  
R. C. Longo ◽  
F. T. Kong ◽  
Santosh KC ◽  
M. S. Park ◽  
J. Yoon ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Phase Stability ◽  
Cathode Materials ◽  
Chemical Potential ◽  
Li Ion Batteries ◽  
Li Ion ◽  
O Phase

The Li–Mn–O phase diagram as a function of the chemical potential of Li and O and the pH.

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