Balabai R. Particularities of the electronic density distribution in nanosize functional materials

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0514U000243

Thesis Registration Form

0514U000243.pdf

Applicant for

Specialization

  • 01.04.07 - Фізика твердого тіла

31-03-2014

Specialized Academic Board

Д 26.001.23

Taras Shevchenko National University of Kyiv

Essay

The Thesis is devoted to determination of electronic structures of strained epitaxial semiconductor heterostructures, arrays quantum dots, functionalized carbon nanotubes, graphene nanoribbons and Si nanofilms, catalyst systems containing metal nanoclusters, by applying ab initio principles. The work demonstrates appearance of single sp3 bonds in the net of carbon nanotube surfaces or graphene nanoribbons caused by fluoration or hydrogenation. Methods have been developed for influencing conductivity of graphene ribbons, Si films by means of selecting their size and coating. Mechanisms of increased catalytic activity of the transition metal clusters related with d-orbitals excitement were investigated.

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