Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view

Fortuna, Sara; Cheung, David L.; Johnston, Karen

Izpis gradiva
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Naslov:	Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view
Avtorji:	ID Fortuna, Sara (Avtor) ID Cheung, David L. (Avtor) ID Johnston, Karen (Avtor)
Datoteke:	Gradivo nima datotek, ki so prostodostopne za javnost. Gradivo je morda fizično dosegljivo v knjižnici fakultete, zalogo lahko preverite v COBISS-u.
Jezik:	Angleški jezik
Vrsta gradiva:	Delo ni kategorizirano
Tipologija:	1.01 - Izvirni znanstveni članek
Organizacija:	UNG - Univerza v Novi Gorici
Opis:	The self-assembly of molecules on surfaces into 2D structures is important for the bottom-up fabrication of functional nanomaterials, and the self-assembledstructure depends on the interplay between molecule-molecule interactions and molecule-surface interactions. Halogenated benzene derivatives on platinum have been shown to have two distinct adsorption states: a physisorbed state and a chemisorbed state, and the interplay between the two can be expected to have a profound effect on the self-assembly and phase behaviour of these systems. We developed a lattice model that explicitly includes both adsorption states, with representative interactions parameterised using density functional theory calculations. This model was used in Monte Carlo simulations to investigate pattern formation of hexahalogenated benzene molecules on the platinumsurface. Molecules that prefer the physisorbed state were found to self-assemble with ease, depending on the interactions between physisorbed molecules. In contrast, molecules that preferentially chemisorb tend to get arrested in disordered phases. However, changing the interactions between chemisorbed and physisorbed molecules affects the phase behaviour. We propose functionalising molecules in order to tune their adsorption states, as an innovative way to control monolayer structure, leading to a promising avenue for directed assembly of novel 2D structures.
Ključne besede:	lattice model, hexagonal lattice, Monte Carlo, DFT, density functional theory, benzene, physisorption, chemisorption, halogenated
Leto izida:	2016
Št. strani:	9
Številčenje:	144, 13
PID:	20.500.12556/RUNG-2694
COBISS.SI-ID:	4534523
DOI:	10.1063/1.4944936
NUK URN:	URN:SI:UNG:REP:ZUUWO47M
Datum objave v RUNG:	11.10.2016
Število ogledov:	5820
Število prenosov:	0
Metapodatki:
:	FORTUNA, Sara, CHEUNG, David L. in JOHNSTON, Karen, 2016, Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view. Journal of Chemical Physics [na spletu]. 2016. Vol. 144, no. 13. [Dostopano 7 april 2025]. DOI 10.1063/1.4944936. Pridobljeno s: https://repozitorij.ung.si/IzpisGradiva.php?lang=slv&id=2694 Kopiraj citat