Firstprinciplecalculations相关论文
TiO2是一种宽禁带半导体材料，在光催化方面有着非常重要的应用。当H2O或者有机分子吸附在TiO2表面上时，由近紫外光激发的电子空穴对......
Computational Simulation of Novel 2D Materials and Reaction Mechanism of Electroreduction of CO2 and
With the vast development of computer science and technology and the invention of various computational algorithms,based......
Theoretical Investigation on the Structural Stability and Electronics Properties of 3C-SiC Nanocryst
Theoretical Investigation on the Structural Stability and Electronics Properties of 3C-SiC Nanocrystals Ya-Ting Wang and......
