2 papers
cond-mat.mtrl-sci2018
First-principle prediction of the existence of C64-graphyne and its nitrogen and boron substitutions
Hui Li, Zihua Xin, Junxian Liu +2
By using of the first-principles calculations based on density functional theory, a novel monolayer planar structure named C64-graphyne is predicted. Tetratomic and hexatomic rings…
cond-mat.mtrl-sci2014
Electronic properties and stability of three new kinds of single-atom-thick SIC graphyne sheets
Xiao Yan, Zihua Xin, M. Yu +3
Three new single-atom-thick silicon-carbon stable systems have been found by using of SCED-LCAO and DFT methods. An important position, named bone position, is proposed in these st…