国家/地区 Russia（7）
关键词 DFT（7）
出版物 DIAMOND RELATED MAT.（2）
出版时间 2017（2） 2019（2） 2020（2）
机构 IRKUTSK NATL RES TECH UNIV（7）
作者 PETRUSHENKO IK（7）

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

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