About: Adsorption properties of graphene

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Projekt, within Data Space : linked.opendata.cz associated with source document(s)

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Description	Hlavním cílem projektu jsou kombinované výpočty elektronické struktury a dynamické výpočty týkající se adsorpce vodíku a halogenů na grafenu za účelem komplexního porozumění adsorpčního procesu. Dílčí cíle zahrnují: výpočty nadploch potenciálních energií pro systémy atom-grafen, výpočty vazeb (coupling) atom-fonon, zahrnutí excitací elektron-díra a provedení dynamických výpočtů adsorpce několika metodami. (cs) Main goals of the present project involve combined electronic structure and dynamical calculations, giving a clear view on complex adsorption processes. Partial goals are: calculations of an atom-substrate electronic potential energy surface, calculations of atom-phonon couplings, inclusion of electron-hole pair excitations, and dynamical calculation using several dynamical methods like reduced density matrix or close coupling wavepacket propagations. (en)
Title	Adsorption properties of graphene (en) Adsorpční vlastnosti grafenu (cs)
http://linked.open...vai/cislo-smlouvy	http://linked.opendata.cz/resource/domain/vavai/cep/smlouva/MSMT-2954/2012-36
http://linked.open...avai/druh-souteze	http://linked.opendata.cz/resource/domain/vavai/cep/druh-souteze/RP
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http://linked.open...vai/klicova-slova	graphene; adsorption; sticking; hydrogen; halogens (en)
http://linked.open...avai/konec-reseni	2013-12-31 (xsd:date)
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is http://linked.open...ain/vavai/projekt of	http://linked.opendata.cz/resource/domain/vavai/cep/ucast/2012/7AMB12FR026/orjk-15310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/2013/7AMB12FR026/orjk-15310

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