国家/地区 China（7）
关键词 DENSITY FUNCTIONAL THEORY（12）
出版物 CHEMICAL PHYSICS LETTERS（12）
出版时间 2017（3） 2021（3） 2019（2） 2022（2）
机构
作者

Binding of histidine and proline with graphene: DFT study

CHEMICAL PHYSICS LETTERS

DAGGAG D, DORLUS T, DINADAYALANE T

Different elements doped graphene sensor for CO2 greenhouse gases detection: The DFT study

CHEMICAL PHYSICS LETTERS

ZHENG ZQ, WANG HL

Calcium intercalation underneath N-layer graphene on 6H-SiC(0001)

CHEMICAL PHYSICS LETTERS

ZHANG YX, ZHANG HJ, CAI YL, SONG JJ, QIAO D, CHEN QY, HU F, WANG P, HUANG KK, HE PM

Adsorption of chloroform on N-doped and Al-doped graphene: A first-principle study

CHEMICAL PHYSICS LETTERS

TIAN YL, REN JF, YUE WW, CHEN MN, HU GC, YUAN XB

Simulation from the first principal theory on the effect of supporting silica on graphene and the new composite material

CHEMICAL PHYSICS LETTERS

KIARII EM, GOVENDER KK, NDUNGU PG, GOVENDER PP

Ab initio insight into graphene nanofibers to destabilize hydrazine borane for hydrogen release

CHEMICAL PHYSICS LETTERS

QIAN Z, RAGHUBANSHI H, HUDSON MSL, SRIVASTAVA ON, LIU XF, AHUJA R

Oxygen reduction reaction on nitrogen-doped graphene nanoribbons: A density functional theory study

CHEMICAL PHYSICS LETTERS

HOU X, HU Q, ZHANG P, MI J

Helicene adsorption on graphene, hexagonal boron nitride, graphane, and fluorographane

CHEMICAL PHYSICS LETTERS

DENIS PA

Exploring adsorption mechanism of glyphosate on pristine and elemental doped graphene

CHEMICAL PHYSICS LETTERS

LI XP, ZHANG R, DONG FQ, TANG YH, XU L, SUN CH, ZHANG HP

Au modified single vacancy graphene as anchoring material for lithium-sulfur batteries

CHEMICAL PHYSICS LETTERS

SONG ZY, GUO CS, ZHAO Y