Transparent conducting films (TCFs) are a critical component in many personal electronic
devices. Transparent and conductive doped metal oxides are widely used in industry due to …

A parametric nonorthogonal tight-binding model (NTBM1) with the set of parameters for H–C–
N–O systems is presented. This model compares well with widely used semi-empirical AM1 …

Abstract Using the Landauer–Buttiker formalism and the nonorthogonal tight-binding
Hamiltonian with NTBM parametrization, the electron transmission and conductivity of metal …

We present a density functional study of the band structure and some elastic properties of
semiconductor carbon nanotube endohedrally doped with the C 36 fullerenes. We found …

We apply density functional theory at PBE/6‐311G (d) level as well as nonorthogonal tight‐
binding model to study the Stone‐Wales transformation in C36 fullerene embedded inside …

The paper proposes a method for high-precision calculations of the fullerene dynamics in a
cylindrical carbon nanocontainer. The method has no restrictions on nutation angles since it …

C 60 molecules are encapsulated inside single-walled carbon nanotubes (SWNTs) and
resulting charge (electron) transfer from the SWNTs to the C 60 s is observed. A Raman …

The incorporation of carbon nanotubes (CNTs) into polymers and metals modifies their
intrinsic properties. Dispersing CNTs uniformly in a matrix remains challenging due to strong …

The interaction between C 60 fullerene molecules and single-chirality (11, 10) single-walled
carbon nanotubes (SWCNTs) is demonstrated by probing the optical transitions in (11, 10) …

В рамках формализма Ландауэра–Буттикера и неортогонального гамильтониана
сильной связи с параметризацией NTBM исследованы электронная трансмиссия и …