国家/地区 China（5） India（3）
关键词 FIRSTPRINCIPLE CALCULATION（8）
出版物
出版时间 2019（8）
机构 INDIAN SCH M.（3） TAIYUAN UNIV.（2）
作者 KUMAR V（3） SANTOSH R（3） CHEN CM（2） CUI GY（2）
DONG N（2） HAN PD（2） SU FY（2） YI ZL（2）

Computational Insights into the Interaction between Li2S/Li2S2 and Heteroatom-Doped Graphene Materials

CHEMISTRYSELECT

YI ZL, SU FY, CUI GY, HAN PD, DONG N, CHEN CM

Opening of Band Gap of Graphene with High Electronic Mobility by Codoping BN Pairs

CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

REN XY, XIA S, ZHANG ZG, MENG X, YU HM, WU Q, ZHANG WY, LI AW, YANG H

Structural, electronic, optical, and thermodynamic properties of hydrochlorinated Janus graphene: a first-principle study

JOURNAL OF MOLECULAR MODELING

SANTOSH R, KUMAR V

The effect of pressure on the electronic and optical properties of hydrogenated graphene: a first-principles study

JOURNAL OF COMPUTATIONAL ELECTRONICS

SANTOSH R, KUMAR V

The structural, electronic, optical and thermodynamical properties of hydrofluorinated graphene: First-principle calculations

SOLID STATE SCIENCES

SANTOSH R, KUMAR V

Interfacial interaction and effects of GaAs/Graphene hetero-structures studied by First-principle calculations

JOURNAL OF ALLOYS COMPOUNDS

LIU QL, ZHAO ZY, YI JH

Highly tunable doping in Ge quantum dots/graphene composite with distinct quantum dot growth evolution

NANOTECHNOLOGY

TONG L, QIU F, WANG P, HUANG T, CHEN AR, ZHOU XH, LONG J, WANG RF, YANG J, WANG C, YANG Y

First-Principles Studies of Li Nucleation on Double-Layered Defective Graphene

CHEMELECTROCHEM

HUO L, SU FY, YI ZL, CUI GY, ZHANG CL, DONG N, CHEN CM, HAN PD