国家/地区 Brazil（2）
关键词 DFT（7）
出版物 CHEMICAL PHYSICS（7）
出版时间 2021（4）
机构
作者 AGUIAR AL（2） DE SOUSA JM（2） FONSECA AF（2） GALVAO DS（2）
GIRAO EC（2）

On the performance of local density approximation in describing the adsorption of electron donating/accepting molecules on graphene

CHEMICAL PHYSICS

WANG YX, XU ZF, MOE YN

Influence of iron impurities on defected graphene

CHEMICAL PHYSICS

FACCIO R, PARDO H, ARAUJOMOREIRA FM, MOMBRU AW

Computational study of elastic, structural stability and dynamics properties of penta-graphene membrane

CHEMICAL PHYSICS

DE SOUSA JM, AGUIAR AL, GIRAO EC, FONSECA AF, SOUZA AG, GALVAO DS

Electronic band gap on graphene induced by interaction with hydrogen cyanide. An DFT analysis

CHEMICAL PHYSICS

ROJASCUERVO AM, REYGONZALEZ RR

Electronic, optical, magneto-optical, and thermoelectric properties of the SrS graphene-like under Cr impurity

CHEMICAL PHYSICS

YARI A, BOOCHANI A, REZAEE S

Mechanical properties of single-walled penta-graphene-based nanotubes: A DFT and Classical molecular dynamics study

CHEMICAL PHYSICS

DE SOUSA JM, AGUIAR AL, GIRAO EC, FONSECA AF, COLUCI VR, GALVAO DS

SnS2 monolayer and SnS2/graphene heterostructure as promising anchoring materials for lithium-sulfur batteries: A computational study

CHEMICAL PHYSICS

MAO XT, YU Y, ZHU L, FU AP