国家/地区 China（8）
关键词 FIRSTPRINCIPLES STUDY（8）
出版物
出版时间 2015（2） 2017（2） 2018（2）
机构
作者 JIA Y（2） SUN Q（2）

Versatile mechanical properties of novel g-SiCx monolayers from graphene to silicene: a first-principles study

NANOTECHNOLOGY

LU XK, XIN TY, ZHANG Q, XU Q, WEI TH, WANG YX

First-principles study of Cu adsorption on vacancy-defected/Au-doped graphene

MODERN PHYSICS LETTERS B

LIU Y, AN LB, GONG L

Half-metal behaviour mediated by self-doping of topological line defect combining with adsorption of 3d transition-metal atomic chains in graphene

JOURNAL OF PHYSICS DAPPLIED PHYSICS

ZHU ZL, CHEN WG, SUN Q, JIA Y

The spin-charge transport properties for a graphene-based molecular junction: A first-principles study

ORGANIC ELECTRONICS

CAO LM, LI XB, LIU GA, LIU ZR, ZHOU GH

Defect-induced selective oxidation of graphene: A first-principles study

APPLIED SURFACE SCIENCE

XING YH, LU PF, WANG J, YANG JP, CHEN YP

First-principles study on the hydrogenation of the O-2 on TiN4 embedded graphene

ACTA PHYSICA SINICA

LU ZS, LI Y, CHENG YJ, LI S, ZHANG XL, XU GL, YANG ZX

Single vacancy defects diffusion at the initial stage of graphene growth: A first-principles study

PHYSICS LETTERS A

DU HB, JIA Y, SUN Q, GUO ZX

First-principles study on S and N doping graphene/SnS2 heterostructure for lithium-ion battery

CHEMICAL PHYSICS LETTERS

WANG CY, ZHANG XR, QIAN Y, WU HP, KAN EJ