Ab initio study of the structure, force fields, and vibrational spectra of alkali metal tellurites

1999 ◽  
Vol 40 (3) ◽  
pp. 358-367
Author(s):  
V. G. Solomonik ◽  
A. V. Marenich
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Force Fields ◽  
Ab Initio Study

Ab initio study of a 2D h-BAs monolayer: a promising anode material for alkali-metal ion batteries

2019 ◽  
Vol 21 (33) ◽  
pp. 18328-18337 ◽  
Author(s):  
Nabil Khossossi ◽  
Amitava Banerjee ◽  
Younes Benhouria ◽  
Ismail Essaoudi ◽  
Abdelmajid Ainane ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Anode Material ◽  
Metal Ion ◽  
Superior Performance ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Alkali Metal Ion ◽  
Key Steps ◽  
Selection Of

The selection of a suitable two dimensional anode material is one of the key steps in the development of alkali metal ion batteries to achieve superior performance with an ultrahigh rate of charging/discharging capability.

From butadiene to polyacetylene: An ab initio study on the vibrational spectra of polyenes

1992 ◽  
Vol 96 (2) ◽  
pp. 982-996 ◽  
Author(s):  
Manfred Kofranek ◽  
Hans Lischka ◽  
Alfred Karpfen
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Ab Initio Study
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