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DFT výpočty grafenu s výhledem na uplatnění v biosenzorech / DFT calculations of graphene regarding to biosenzoric applications

This diploma thesis is focused on calculation of both structure and electronic properties of the graphene after the adsorption of atomic and molecular oxygen and urea using the Density Functional Theory (DFT). The influence of van der Waals interactions on the structure and adsorption energy is studied, as well as influence of the thermal corrections, the charge density spatial distribution and the electronic doping of graphene after the adsorption of the adsorbant on the graphene.

Identiferoai:union.ndltd.org:nusl.cz/oai:invenio.nusl.cz:451222
Date January 2021
CreatorsŠpaček, Ondřej
ContributorsFriák, Martin, Bartošík, Miroslav
PublisherVysoké učení technické v Brně. Fakulta strojního inženýrství
Source SetsCzech ETDs
LanguageCzech
Detected LanguageEnglish
Typeinfo:eu-repo/semantics/masterThesis
Rightsinfo:eu-repo/semantics/restrictedAccess

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