Understanding of Correlation between Li Diffusion and Local Environments in Solid Electrolyte Based on Kinetic Energy Barriers As Local Structure Variations By First Principles Calculation

2019 ◽  
Keyword(s):  
Kinetic Energy ◽  
Solid Electrolyte ◽  
First Principles ◽  
Local Structure ◽  
First Principles Calculation ◽  
Energy Barriers ◽  
Local Environments

Local structure analysis of Sb, Bi, and Ag dopant atoms in Mg2Si semiconductor by x-ray absorption spectroscopy and first-principles calculation

2021 ◽  
Vol 130 (24) ◽  
pp. 245105
Author(s):  
Mamoru Kitaura ◽  
Shinta Wantanabe ◽  
Toshiaki Ina ◽  
Motoharu Imai ◽  
Haruhiko Udono ◽  
...  
Keyword(s):  
Structure Analysis ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
Local Structure ◽  
First Principles Calculation ◽  
X Ray ◽  
Dopant Atoms ◽  
X Ray Absorption

First principles calculation of Li2+2xZn1-xSiO4 (x = 0.125–0.5) as solid electrolyte for lithium-ion battery

2021 ◽  
Vol 371 ◽  
pp. 115767
Author(s):  
Shihao Feng ◽  
Zhixing Wang ◽  
Huajun Guo ◽  
Xinhai Li ◽  
Guochun Yan ◽  
...  
Keyword(s):  
Solid Electrolyte ◽  
Lithium Ion Battery ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Calculation

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra

scholarly journals First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

2021 ◽  
Vol 27 (6) ◽  
Author(s):  
Wen-Guang Li ◽  
Yun-Dan Gan ◽  
Zhi-Xin Bai ◽  
Ming-Jian Zhang ◽  
Fu-Sheng Liu ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
First Principles ◽  
First Principles Calculation
Sign in / Sign up

Export Citation Format

Share Document