国家/地区 Canada（9）
关键词 DENSITY FUNCTIONAL THEORY（9）
出版物
出版时间 2013（2） 2015（2） 2017（2）
机构 UNIV SASKATC.（2）
作者 BEYE A（2） EDUOK U（2） FAYE O（2） SAMOURA A（2）
SZPUNAR J（2）

Atomic insights for Ag Interstitial/Substitutional doping into ZnIn2S4 nanoplates and intimate coupling with reduced graphene oxide for enhanced photocatalytic hydrogen production by water splitting

APPLIED CATALYSIS BENVIRONMENTAL

GAO Y, XU BT, CHERIF M, YU H, ZHANG QZ, VIDAL F, WANG XF, DING F, SUN YG, MA DL, BI YF, XU ZH

H2S adsorption and dissociation on NH-decorated graphene: A first principles study

SURFACE SCIENCE

FAYE O, EDUOK U, SZPUNAR J, SAMOURA A, BEYE A

Energetics and Kinetics of Li Intercalation in Irradiated Graphene Scaffolds

ACS APPLIED MATERIALS INTERFACES

SONG J, OUYANG B, MEDHEKAR NV

States Modulation in Graphene Nanoribbons through Metal Contacts

ACS NANO

ARCHAMBAULT C, ROCHEFORT A

Theoretical investigation of the use of doped graphene as a membrane support for effective CO removal in hydrogen fuel cells

MOLECULAR SIMULATION

DURBIN DJ, MALARDIERJUGROOT C

Strain gradient polarization in graphene

CARBON

KUNDALWAL SI, MEGUID SA, WENG GJ

Hydrogen storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

FAYE O, EDUOK U, SZPUNAR J, SZPUNAR B, SAMOURA A, BEYE A

Correlation between theoretical descriptor and catalytic oxygen reduction activity of graphene supported palladium and palladium alloy electrocatalysts

JOURNAL OF POWER SOURCES

SEO MH, CHOI SM, LEE DU, KIM WB, CHEN ZW

Binding of nucleobases with graphene and carbon nanotube: a review of computational studies

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

AMIRANI MC, TANG T