We have calculated the N 1s near-edge X-ray absorption fine structure (NEXAFS) spectra of
nitrogen-doped monolayer graphene (NG) using density functional theory (DFT) with the …

The properties of hexagonal graphene are modeled by the ab initio pseudopotential method
within the density functional theory taking into account the effect of the vacancies associated …

The electron local density of states (LDOS) are calculated for graphene with isolated
vacancies, divacancies and vacancy group of four nearest-neighbor vacancies. A strong …

ABSTRACT A novel membrane-electrode structure is conceived and prepared in this work,
where a graphene-contained layer is constructed between anode catalyst layer and …

Present topological study focuses on the formation mechanism of clusters of vacancies in
graphenic layers. An original effect that explains both accumulation and self-healing of …

Three-dimensional carbon honeycombs were experimentally discovered recently. In this
work, we study the thermal conductivity of zigzag carbon foams with different sidewall …

Phonon and electron spectra of graphene nanofilms and nanotubes with defects are
analyzed. The electron and phonon local densities of states (LDOSs) are calculated for …

Ab initio-методом псевдопотенциала в рамках DFT моделированы свойства
гексагонального графена с учетом влияния вакансий, связанных с …

We investigate the electronic and magnetic properties of the corrugated zigzag graphene
nanoribbons (ZGNRs) with divacancy defects by means of the first principle calculations. We …

[en] On the basis of the tight-binding method, the Green function for a material with the
honeycomb crystal lattice structure containing a vacancy was studied. The well-known …