国家/地区 Iran（4） China（3）
关键词 DFT（8）
出版物 MOLECULAR PHYSICS（8）
出版时间 2015（2）
机构 ISLAMIC AZAD.（3）
作者 PEYGHAN AA（2）

Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric fields

MOLECULAR PHYSICS

REZAEISAMETI M, RAKHSHI M

Structural, electronic and catalytic performance of single-atom Fe anchored 3Si-doped graphene

MOLECULAR PHYSICS

CHEN WG, TANG YA, ZHAO G, TENG D, CHAI HD, DAI XQ

Adsorption of H2S at Stone-Wales defects of graphene-like BC3: a computational study

MOLECULAR PHYSICS

PEYGHAN AA, SOLEYMANABADI H

DFT studies of Si- and Al-doping effects on the acetone sensing properties of BC3 graphene

MOLECULAR PHYSICS

MORADI M, NOEI M, PEYGHAN AA

N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations

MOLECULAR PHYSICS

RAD AS, SHABESTARI SS, JAFARI SA, ZARDOOST MR, MIRABI A

Theoretical study of stabilities, electronic, and catalytic performance of supported platinum on modified graphene

MOLECULAR PHYSICS

TIAN HW, FENG W, WANG R, LIU HL, HUANG XR

The bond force constants of graphene and benzene calculated by density functional theory

MOLECULAR PHYSICS

MEDINA J, AVILES F, TAPIA A

First-principles investigation on the sensitivity of germanene/graphene heterostructure toward methane gas

MOLECULAR PHYSICS

WU SL, ZHOU QX, JU WW, WANG YJ, YONG YL, LIU XY, HOU J, ZHAO ZH