Optimizing thermoelectric performance of carbon-doped h-BN monolayers through tuning carrier concentrations and magnetic field
The thermoelectric properties of carbon-doped monolayer hexagonal boron nitride (h-BN)
are studied using a tight-binding model employing Green function approach and the Kubo …
are studied using a tight-binding model employing Green function approach and the Kubo …
Electric gating and interlayer coupling controllable electronic structure and Schottky contact of graphene/ van der Waals heterostructure
CV Nguyen - Physical Review B, 2021 - APS
Graphene-based van der Waals heterostructures have received tremendous interest from
both fundamental and experimental studies because they can enhance the properties and …
both fundamental and experimental studies because they can enhance the properties and …
Electronic, optical, and thermoelectric properties of Janus In-based monochalcogenides
Inspired by the successfully experimental synthesis of Janus structures recently, we
systematically study the electronic, optical, and electronic transport properties of Janus …
systematically study the electronic, optical, and electronic transport properties of Janus …
Electronic and optical properties of doped graphene
The diverse electronic and optical properties of doped graphene with chosen densities of Si,
B, and N guest atoms are investigated with the use of the tight-binding model. The main …
B, and N guest atoms are investigated with the use of the tight-binding model. The main …
Single Si-doped graphene as a catalyst in oxygen reduction reactions: an in silico study
AV Kuzmin, BA Shainyan - ACS omega, 2020 - ACS Publications
Single Si-doped graphene C53H18Si with one carbon atom replaced by a three-coordinate
silicon atom is studied by density functional theory (DFT) calculations as a catalyst for the …
silicon atom is studied by density functional theory (DFT) calculations as a catalyst for the …
Mechanisms of catalytic electrochemical reactions of oxygen reduction (ORR) and carbon dioxide reduction (CO2RR)
AV Kuzmin, BA Shainyan - Uspehi himii, 2023 - journals.rcsi.science
The review covers the electrochemical reactions of oxygen reduction (ORR) and carbon
dioxide reduction (CO2RR) with a focus on mechanisms, structure of intermediates, and …
dioxide reduction (CO2RR) with a focus on mechanisms, structure of intermediates, and …
Unusual features of nitrogen substitutions in silicene
The quasiparticle properties resulting from charge and spin are clearly identified in nitrogen-
substituted silicenes, for which a theoretical framework is successfully developed from first …
substituted silicenes, for which a theoretical framework is successfully developed from first …
Magneto-transport properties of B-, Si-and N-doped graphene
The effect due to doping by B, Si, N atoms on the magneto-transport properties of graphene
is investigated using the generalized tight-binding model in conjunction with the Kubo …
is investigated using the generalized tight-binding model in conjunction with the Kubo …
Atomistic band-structure computation for investigating Coulomb dephasing and impurity scattering rates of electrons in graphene
In this paper, by introducing a generalized quantum-kinetic model which is coupled self-
consistently with Maxwell and Boltzmann transport equations, we elucidate the significance …
consistently with Maxwell and Boltzmann transport equations, we elucidate the significance …
Anomalous magneto-transport properties of bilayer phosphorene
The magneto-transport properties of phosphorene are investigated by employing the
generalized tight-binding model to calculate the energy bands. For bilayer phosphorene, a …
generalized tight-binding model to calculate the energy bands. For bilayer phosphorene, a …