Data from: Calculation on surface energy and electronic properties of CoS2

负责人：

关键词：

cobalt disulfide;density function theory;Surface energy;thermodynamical stability;Electronic structure

DOI：

doi:10.5061/dryad.wh70rxwhv

摘要：

e calculated with a sulfur environment using first-principles based thermodynamics. It is founded that surfaces with metal atoms at their outermost layer ar