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sp-state-based magnetism of 2D nanosystems
Údaje o názvu sp-state-based magnetism of 2D nanosystems [rukopis] / Zdeněk Baďura Další variantní názvy sp-stavy řízený magnetismus 2D nanosystémů Osobní jméno Baďura, Zdeněk (autor diplomové práce nebo disertace) Překl.náz sp-state-based magnetism of 2D nanosystems Vyd.údaje 2017 Fyz.popis 138 s. : grafy Poznámka Oponent Libor Machala Ved. práce Jiří Tuček Dal.odpovědnost Machala, Libor (oponent) Tuček, Jiří (vedoucí diplomové práce nebo disertace) Dal.odpovědnost Univerzita Palackého. Katedra experimentální fyziky (udelovatel akademické hodnosti) Klíč.slova Density functional theory * VASP * magnetism * graphene * graphene nanoribbons * boron * nitrogen * Density functional theory * VASP * magnetism * graphene * graphene nanoribbons * boron * nitrogen Forma, žánr diplomové práce master's theses MDT (043)378.2 Země vyd. Česko Jazyk dok. angličtina Druh dok. PUBLIKAČNÍ ČINNOST Titul Mgr. Studijní program Navazující Studijní program Fyzika Studijní obor Nanotechnologie kniha
Kvalifikační práce Staženo Velikost datum zpřístupnění 00214660-841394620.pdf 75 18.5 MB 10.08.2017 Posudek Typ posudku 00214660-ved-569312093.pdf Posudek vedoucího 00214660-opon-112665056.pdf Posudek oponenta
In this thesis we studied two fundamental types of graphene nanoribbons (i.e., armchair and zigzag graphene nanoribbons) with bare edges and also with edges passivated by hydrogen atoms. Further, we studied in details the properties of nanoribbons doped by boron and nitrogen. Several con gurations of dopant atoms were chosen; these motifs have been tested in AGNNs and ZGNNs of different widths and with bare and passivated edges by hydrogen atoms. For calculations and modeling of magnetic properties of graphene nanoribbons we use Vienna ab initio simulation package.In this thesis we studied two fundamental types of graphene nanoribbons (i.e., armchair and zigzag graphene nanoribbons) with bare edges and also with edges passivated by hydrogen atoms. Further, we studied in details the properties of nanoribbons doped by boron and nitrogen. Several con gurations of dopant atoms were chosen; these motifs have been tested in AGNNs and ZGNNs of different widths and with bare and passivated edges by hydrogen atoms. For calculations and modeling of magnetic properties of graphene nanoribbons we use Vienna ab initio simulation package.
Počet záznamů: 1