国家/地区 China（11）
关键词 FIRSTPRINCIPLE（11）
出版物 APPLIED SURFACE SCI.（4）
出版时间 2018（11）
机构 HARBIN INST .（2）
作者 RAFIQUE M（2） SHUAI Y（2） WANG H（2）

First-principles study on the structures and electronic properties of graphene-supported Ni-n (n=1-6) clusters

MOLECULAR SIMULATION

SONG W, WANG JL, WANG B, HU WP, WANG Y

Design rules of heteroatom-doped graphene to achieve high performance lithium-sulfur batteries: Both strong anchoring and catalysing based on first principles calculation

JOURNAL OF COLLOID INTERFACE SCIENCE

ZHANG L, LIANG P, SHU HB, MAN XL, DU XQ, CHAO DL, LIU ZG, SUN YP, WAN HZ, WANG H

A study of the most condensed configuration of oxocarbon molecule adsorption on graphene surface: A first-principle investigation

APPLIED SURFACE SCIENCE

WANG ZC, LI JJ, ZHANG YP, XU HZ

Restraining Strategy of the Stone-Wales Defect Effect on Graphene Nanoribbon MOSFETs

IEEE ELECTRON DEVICE LETTERS

LV YW, LIU AQ, HUANG QJ, CHANG S, QIN WJ, YE SZ, WANG H, HE J

Probing interfacial electronic properties of graphene/CH3NH3PbI3 heterojunctions: A theoretical study

APPLIED SURFACE SCIENCE

HU JS, JI GP, MA XG, HE H, HUANG CY

Manipulation of inherent characteristics of graphene through N and Mg atom co-doping; a DFT study

PHYSICS LETTERS A

RAFIQUE M, MIRJAT NH, SOOMRO AM, KHOKHAR S, SHUAI Y

A first-principles study on adsorption behaviors of pristine and Li-decorated graphene sheets toward hydrazine molecules

APPLIED SURFACE SCIENCE

ZENG HD, CHENG XL, WANG W

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

APPLIED SURFACE SCIENCE

YUAN LH, KANG L, CHEN YH, WANG DB, GONG JJ, WANG CN, ZHANG ML, WU XJ

Thermal spin filtering effect and giant magnetoresistance of half-metallic graphene nanoribbon co-doped with non-metallic Nitrogen and Boron

JOURNAL OF MAGNETISM MAGNETIC MATERIALS

HUANG H, ZHENG AM, GAO GY, YAO KL

First-principles study on silicon atom doped monolayer graphene

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

RAFIQUE M, SHUAI Y, HUSSAIN N