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The influence of metal oxide nanoparticles on the electrical characteristics of quasi-2D-graphene-nanotube films
Russian version
Slepchenkov M. M. 1, Barkov P. V. 1, Levitsky S. G. 1, Glukhova O. E. 1,2
1Saratov State University, Saratov, Russia
2I.M. Sechenov First Moscow State Medical University, Moscow, Russia
Email: slepchenkovm@mail.ru, barkovssu@mail.ru, levickysg@gmail.com, glukhovaoe@info.sgu.ru
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Using density-functional tight-binding method, an in silico study of the energetic and electrical properties of hybrid quasi-2D carbon films with metal oxide nanoparticles on their surface was conducted. The hybrid carbon films are formed by covalently bonded graphene and single-walled nanotubes oriented vertically relative to the graphene plane. Titanium and hafnium oxides, which are strong dielectrics, are considered as metal oxides. The thermodynamic stability of the studied structures is estimated based on the binding energy. Electrical properties are assessed based on electrical resistance. The distribution of the Mulliken charge in the graphene-nanotube film + metal oxide system is analyzed. Keywords: carbon films, density-functional tight-binding method, metal oxides, electrical resistance, partial charge.
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