Results 251 to 260 of about 121,447 (265)

Designing substrates for silicene and germanene: First-principles calculations

Physical Review B, 2016
Michael Weinert, Zhicheng Zhong, M X Chen   +2 more
exaly  

First-Principles Calculations 2

2020
openaire   +1 more source

Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations

ACS Applied Materials & Interfaces, 2015
Yizhou Zhu, Yifei Mo, Xingfeng He
exaly  

Chemistry: First-Principles Calculations

Science, 2006
openaire   +1 more source

Electronic structure and stability of Mg–Ce intermetallic compounds from first-principles calculations

Journal of Alloys and Compounds, 2007
Ping Peng, J S Liu
exaly  

First‐Principles Calculations of Lithium‐Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO2

Advanced Materials, 2013
Craig Fisher, Akihide Kuwabara, Taro Hitosugi   +2 more
exaly  

First-principles density functional calculations for Mg alloys: A tool to aid in alloy development

Scripta Materialia, 2010
Dongwon Shin, Chris Wolverton
exaly  

First-principles calculations of the ultralow thermal conductivity in two-dimensional group-IV selenides

Physical Review B, 2018
Olle Eriksson, Wen Yin, Tao Bo
exaly  

Defects in boron carbide: First-principles calculations and CALPHAD modeling

Acta Materialia, 2012
Arkapol Saengdeejing, J E Saal, Venkateswara Rao Manga   +2 more
exaly  

Stability of (Ti, M)C (M = Nb, V, Mo and W) carbide in steels using first-principles calculations

Acta Materialia, 2012
Jae Hoon Jang, Dong-Woo Suh, Chang-Hoon Lee   +2 more
exaly