国家/地区 Russia（10）
关键词 DFT（8） GRAPHENE（8） HETEROSTRUCTURE（6）
ADSORPTION（4） BORON NITRIDE（2） CARBENE（2）
HYDROGEN（2） HYDROGEN STORAGE（2）
出版物 DIAMOND RELATED MAT.（2） SURFACES INTERFACES（2）
出版时间 2017（2） 2019（2） 2020（2）
机构 IRKUTSK NATL.（7） IRKUTSK STAT.（2）
作者 PETRUSHENKO IK（10）

Graphene-BN-organic nanoflake complexes: DFT, IGM and SAPT0 insights

DIAMOND RELATED MATERIALS

PETRUSHENKO IK, TIKHONOV NI, PETRUSHENKO KB

Absorption properties of a BODIPY-curved graphene nanoflake system: A theoretical investigation

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

PETRUSHENKO IK, PETRUSHENKO KB

Adsorption of diatomic molecules on graphene, h-BN and their BNC heterostructures: DFT study

DIAMOND RELATED MATERIALS

PETRUSHENKO IK, PETRUSHENKO KB

Hydrogen physisorption on nitrogen-doped graphene and graphene-like boron nitride-carbon heterostructures: a DFT study

SURFACES INTERFACES

PETRUSHENKO IK, PETRUSHENKO KB

Hydrogen adsorption on graphene, hexagonal boron nitride, and graphene-like boron nitride-carbon heterostructures: A comparative theoretical study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

PETRUSHENKO IK, PETRUSHENKO KB

[2+1] Cycloaddition of dichlorocarbene to finite-size graphene sheets: DFT study

MONATSHEFTE FUR CHEMIE

PETRUSHENKO IK

Physical adsorption of N-containing heterocycles on graphene-like boron nitride-carbon heterostructures: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

PETRUSHENKO IK, PETRUSHENKO KB

Stone-Wales defects in graphene-like boron nitride-carbon heterostructures: Formation energies, structural properties, and reactivity

COMPUTATIONAL MATERIALS SCIENCE

PETRUSHENKO IK, PETRUSHENKO KB

DFT Study on Adiabatic and Vertical Ionization Potentials of Graphene Sheets

ADVANCES IN MATERIALS SCIENCE ENGINEERING

PETRUSHENKO IK

Adsorption of diatomic molecules on nitrogenated holey graphene: Theoretical insights

SURFACES INTERFACES

PETRUSHENKO IK, PETRUSHENKO KB