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master's thesis
UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA
2020. urn:nbn:hr:160:572857
Gemeri, Dejan
Josip Juraj Strossmayer University of Osijek
Department of Physics
Division of Theoretical Physics and Computer Science
Division Chair of Theoretical Physics

Cite this document

Gemeri, D. (2020). UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA (Master's thesis). Retrieved from https://urn.nsk.hr/urn:nbn:hr:160:572857

Gemeri, Dejan. "UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA." Master's thesis, Josip Juraj Strossmayer University of Osijek, Department of Physics, 2020. https://urn.nsk.hr/urn:nbn:hr:160:572857

Gemeri, Dejan. "UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA." Master's thesis, Josip Juraj Strossmayer University of Osijek, Department of Physics, 2020. https://urn.nsk.hr/urn:nbn:hr:160:572857

Gemeri, D. (2020). 'UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA', Master's thesis, Josip Juraj Strossmayer University of Osijek, Department of Physics, accessed 17 March 2023, https://urn.nsk.hr/urn:nbn:hr:160:572857

Gemeri D. UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA [Master's thesis]. Osijek: Josip Juraj Strossmayer University of Osijek, Department of Physics; 2020 [cited 2023 March 17] Available at: https://urn.nsk.hr/urn:nbn:hr:160:572857

D. Gemeri, "UTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA", Master's thesis, Josip Juraj Strossmayer University of Osijek, Department of Physics, Osijek, 2020. Available at: https://urn.nsk.hr/urn:nbn:hr:160:572857

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Metadata
TitleUTJECAJ MORFOLOGIJE SUPSTRATA NA STRUKTURU 2D MATERIJALA
Title (english)INFLUENCE OF SUBSTRATE MORPHOLOGY ON 2D MATERIAL STRUCTURES
AuthorDejan Gemeri
MentorIgor Lukačević (mentor)
Committee memberIgor Lukačević (predsjednik povjerenstva)
GranterJosip Juraj Strossmayer University of Osijek
Department of Physics
(Division of Theoretical Physics and Computer Science)
(Division Chair of Theoretical Physics)
Osijek
Defense date and country2020-10-29, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Atomic and Molecular Physics
Abstract
Cilj ovog rada bio je proširiti već postojeću bazu znanja o svojstvima 2D materijala. Struktura aluminena (dvodimenzionalni alotrop aluminija) ispitana je na nekoliko određenih supstrata. Aluminen je pretpostavljen u tri različite alotropske modifikacije (ravninska saćasta, svijena saćasta i ravninska trokutasta) čije su jedinične ćelije relaksirane na supstratima: Cu, Ag, Au, Ge, PdTe2, Pt i Ir. Ideja rada je otkriti utjecaj supstrata na strukturu 2D aluminija (aluminena). Za sve račune koristili smo softver Quantum ESPRESSO, programski paket namijenjen za izračune elektronskih struktura i modeliranje materijala. Na kraju, kroz ovaj rad pokušali smo utvrditi poveznicu između morfologije i konstante rešetke supstrata i postavljene 2D strukture. To znanje će biti od iznimnog značaja za buduće eksperimentalne pokušaje sinteze aluminena.
Abstract (english)
The focal point of this thesis, which centres on the expansion of an existing knowledge about the properties of 2D materials, is the structure of aluminene (two-dimensional allotrope of aluminium) paired with specifically chosen substrates. Aluminene is proposed in three different allotropic modifications (planar honeycomb, buckled honeycomb and planar triangular) with its unit cell relaxed onto several different substrates: Cu, Ag, Au, Ge, PdTe2, Pt and Ir. The aim of this thesis is to determine which of these metallic surfaces can serve as a synthesis substrate as well as to examine their impact on the crystal structure of aluminene. In order to do this, software Quantum ESPRESSO, a suit for ab initio quantum chemistry methods of electronicstructure calculation and materials modelling, is used. Furthermore, another aim of this study is, to establish relations and find patterns between the morphology and lattice constant of the substrates and the proposed 2D structure. This knowledge will be of great importance for future experimental attempts of aluminene synthesis.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:160:572857
Study programmeTitle: Physics and Computer Science; specializations in: Teaching
Course: Teaching
Study programme type: university
Study level: graduate
Academic / professional title: magistar/magistra edukacije fizike i informatike (magistar/magistra edukacije fizike i informatike)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2020-11-17 08:08:31