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undergraduate thesis
Interakcija grafena i cinka
Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology, 2022. urn:nbn:hr:149:977071
Horvat, Mislav
University of Zagreb
Faculty of Chemical Engineering and Technology

Institutional repository: Repository of Faculty of Chemical Engineering and Technology University of Zagreb

Cite this document

Horvat, M. (2022). Interakcija grafena i cinka (Undergraduate thesis). Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology. Retrieved from https://urn.nsk.hr/urn:nbn:hr:149:977071

Horvat, Mislav. "Interakcija grafena i cinka." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2022. https://urn.nsk.hr/urn:nbn:hr:149:977071

Horvat, Mislav. "Interakcija grafena i cinka." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2022. https://urn.nsk.hr/urn:nbn:hr:149:977071

Horvat, M. (2022). 'Interakcija grafena i cinka', Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, accessed 25 August 2024, https://urn.nsk.hr/urn:nbn:hr:149:977071

Horvat M. Interakcija grafena i cinka [Undergraduate thesis]. Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology; 2022 [cited 2024 August 25] Available at: https://urn.nsk.hr/urn:nbn:hr:149:977071

M. Horvat, "Interakcija grafena i cinka", Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, 2022. Available at: https://urn.nsk.hr/urn:nbn:hr:149:977071

Metadata
TitleInterakcija grafena i cinka
Title (english)Interaction of graphene with zinc
AuthorMislav Horvat
MentorIva Movre Šapić (mentor)
MentorVjeran Gomzi (komentor)
Committee memberIva Movre Šapić (predsjednik povjerenstva)
Committee memberMarijana Kraljić Roković (član povjerenstva)
Committee memberVjeran Gomzi (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Chemical Engineering and Technology
Zagreb
Defense date and country2022-09-22, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract
U ovom radu cilj je bio upoznati se sa grafenom i cinkom, njihovim fizikalno – kemijskim svojstvima i najvaţnijim obiljeţjima. Dan je pregled njihove strukture i pojašnjeno je zašto su toliko korišteni u današnje vrijeme. Sa najzanimljivijeg, elektronskog gledišta su potencijalni materijali za senzore, baterije i sve oblike skladištenja i prijenosa energije u budućnosti. Također je kvantificirana njihova interakcija. Napravljen je kvantno – kemijski izračun iste temeljen na teoriji funkcionala gustoće (density functional theory – DFT ). Pri tome je korišten program Quantum Espresso, i njegovo grafičko korisničko sučelje (graphical user interface – GUI) BURAI. Uzet je najjedostavniji slučaj njihove interakcije odnosno jedan sloj grafena od 32 atoma ugljika i jedan atom cinka. Cink je smješten iznad monosloja na dva različita načina: direktno iznad atoma ugljika ili direktno iznad središte heksagona kojeg zatvaraju 6 atoma ugljika, te su dobivene različite energije interakcije.
Abstract (english)
In this paper, the goal was to become familiar with graphene and zinc, their physical and chemical properties and the most important features. An overview of their structure is given and it is explained why they are used so much nowadays. From the most interesting, electronic point of view, they are potential materials for sensors, batteries and all forms of energy storage and transmission in the future. Their interaction was also quantified. A quantum-chemical calculation of the same was made based on density functional theory (DFT). The Quantum Espresso program and its graphical user interface (GUI) BURAI were used in this. The simplest case of their interaction was taken, i.e. one graphene layer of 32 carbon atoms and one zinc atom. Zinc is placed above the monolayer in two different ways: directly above the carbon atom or directly above the center of the hexagon closed by 6 carbon atoms, and different interaction energies were obtained.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:149:977071
Study programmeTitle: Environmental Engineering - Undergraduate study
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2023-02-27 13:36:59