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1.
Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view
Sara Fortuna, David L. Cheung, Karen Johnston, 2016, original scientific article

Abstract: 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.
Found in: ključnih besedah
Summary of found: ...Monte Carlo, DFT, density functional theory, benzene, physisorption, chemisorption, halogenated...
Keywords: lattice model, hexagonal lattice, Monte Carlo, DFT, density functional theory, benzene, physisorption, chemisorption, halogenated
Published: 11.10.2016; Views: 1857; Downloads: 0
.pdf Fulltext (5,75 MB)

2.
DNA-CNT Physisorption
Artem V. Badasyan, invited lecture at foreign university

Found in: ključnih besedah
Keywords: DNA, CNT, zipper model, physisorption
Published: 28.01.2020; Views: 301; Downloads: 0
.pdf Fulltext (416,43 KB)

3.
Statistical mechanics of DNA-nanotube adsorption
Sh. A. Tonoyan, Davit Khechoyan, Yevgeni S. Mamasakhlisov, Artem V. Badasyan, 2019, other component parts

Abstract: Attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNT) and the aromatic nucleotides of deoxyribonucleic acid (DNA) leads to reversible adsorption (physisorption) between the two, a phenomenon related to hybridization. We propose a Hamiltonian formulation for the zipper model that accounts for the DNA-CNT interactions and allows for the processing of experimental data, which has awaited an available theory for a decade.
Found in: ključnih besedah
Summary of found: ...deoxyribonucleic acid (DNA) leads to reversible adsorption ( physisorption) between the two, a phenomenon related to hybridization....
Keywords: DNA-CNT physisorption, zipper model
Published: 28.01.2020; Views: 354; Downloads: 0
.pdf Fulltext (515,48 KB)

4.
Statistical mechanics of DNA-nanotube adsorption
Artem V. Badasyan, Yevgeni S. Mamasakhlisov, Davit Khechoyan, Sh. A. Tonoyan, 2020, original scientific article

Abstract: Attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNTs) and the aromaticnucleotides of deoxyribonucleic acid (DNA) leads to reversible adsorption (physisorption) between the two, aphenomenon related to hybridization. We propose a Hamiltonian formulation for the zipper model that accountsfor the DNA-CNT interactions and allows for the processing of experimental data, which has awaited an availabletheory for a decade.
Found in: ključnih besedah
Summary of found: ...deoxyribonucleic acid (DNA) leads to reversible adsorption ( physisorption) between the two, aphenomenon related to hybridization....
Keywords: Carbon nanotubes, desoxyribonucleic acid, physisorption
Published: 30.06.2020; Views: 200; Downloads: 0
.pdf Fulltext (1,21 MB)

5.
Modelling DNA adsorption on CNT
Artem V. Badasyan, Yevgeni S. Mamasakhlisov, 2020, published scientific conference contribution abstract

Abstract: Due to the attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNT) and the aromatic nucleotides of deoxyribonucleic acid (DNA) a reversible adsorption (physisorption) between them takes place. A large number of technologies are based on DNA-CNT hybrids [1], and thus require the theoretical support. Modelling this phenomenon in terms of Statistical Mechanics became recently possible, thanks to the Hamiltonian formulation of the zipper model [2].
Found in: ključnih besedah
Summary of found: ...of deoxyribonucleic acid (DNA) a reversible adsorption ( physisorption) between them takes place. A large number of...
Keywords: DNA, CNT, physisorption
Published: 22.09.2020; Views: 85; Downloads: 0
.pdf Fulltext (22,13 MB)

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