Investigating the Effects of TiO Impurities on the Electronic Properties of Graphene Nanoflakes Using DFT Method

Engineering the electronic and optical properties of graphene quantum dot via oxygen doping and structural defects: a DFT-based approach

A DFT Investigation of Alkali Metal Doping for the Tuning of Circumcoronene's Electronic Properties

Electronic reactivity and drug binding in doped cycloparaphenylenes: toward multifunctional platforms for biosensing and targeted drug delivery

Theoretical investigation of thermoelectric enhancement in carbon nanotubes via ZnO dimer doping

Enhancing the thermoelectric performance of carbon nanotubes through sulfur doping localized in the central scattering region