<div class="csl-bib-body">
<div class="csl-entry">Vukovic, F., Niggas, A., Schnack Jürgen, Marks Nigel A., & Wilhelm, R. A. (2025, July 8). <i>Atomistic view of porosity in carbon nanomembranes from molecular dynamics and highly-charged ion spectroscopy</i> [Presentation]. FisMat 2025 Konferenz, Venedig, Italy. http://hdl.handle.net/20.500.12708/217213</div>
</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/217213
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dc.description.abstract
Carbon nanomembranes (CNMs) are a new class of near-2D materials with potential applications ranging from energy storage and generation, through to water and nano-filtration. These nanometer-thin carbon films can be produced by irradiating self assembled mono-layers of organic molecules, e.g. biphenylthiol or terphenylthiol, with low-energy electrons. The structure-property relationships of CNMs are challenging to characterise with traditional experimental techniques alone, largely due to the fragility of the free-standing CNMs. While ion irradiation is traditionally used to modify bulk materials and their surfaces, highly-charged ions can also be used to characterise CNMs by examining the resultant charge state spectra of transmitted ions. Here, a coupled experimental and simulation approach is used to identify candidate atomistic structures from those generated via molecular dynamics (MD) simulations, by comparing the predicted elastic constants and transmitted ion charge exchange spectra to experiment. The results suggest that CNMs may have an open porous structure, with an under-coordinated carbon network that may be stabilised by hydrogen or oxygen groups when exposed to atmospheric conditions. Looking forward, the candidate CNM structures may be valuable for future computational studies, such as to further elucidate water permeation mechanisms during filtration.
en
dc.language.iso
en
-
dc.subject
Ionen
de
dc.subject
Oberflächen
de
dc.subject
Ionen-Oberfläschen-Wechselwirkung
de
dc.title
Atomistic view of porosity in carbon nanomembranes from molecular dynamics and highly-charged ion spectroscopy
en
dc.type
Presentation
en
dc.type
Vortrag
de
dc.contributor.affiliation
Univ. Bielefeld
-
dc.contributor.affiliation
Curtin University
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dc.type.category
Presentation
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tuw.publication.invited
invited
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tuw.researchTopic.id
M1
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tuw.researchTopic.name
Surfaces and Interfaces
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tuw.researchTopic.value
100
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tuw.publication.orgunit
E134-03 - Forschungsbereich Atomic and Plasma Physics
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tuw.author.orcid
0000-0003-3463-651X
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tuw.author.orcid
0000-0002-5838-5789
-
tuw.author.orcid
0000-0001-9451-5440
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tuw.event.name
FisMat 2025 Konferenz
en
tuw.event.startdate
07-07-2025
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tuw.event.enddate
11-07-2025
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tuw.event.online
On Site
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tuw.event.type
Event for scientific audience
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tuw.event.place
Venedig
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tuw.event.country
IT
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tuw.event.presenter
Vukovic, Filip
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1030
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wb.sciencebranch.value
100
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item.openairecristype
http://purl.org/coar/resource_type/R60J-J5BD
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item.grantfulltext
none
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item.cerifentitytype
Publications
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item.languageiso639-1
en
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item.fulltext
no Fulltext
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item.openairetype
conference presentation
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crisitem.author.dept
E134-03 - Forschungsbereich Atomic and Plasma Physics
-
crisitem.author.dept
E134-03 - Forschungsbereich Atomic and Plasma Physics
-
crisitem.author.dept
Univ. Bielefeld
-
crisitem.author.dept
Curtin University
-
crisitem.author.dept
E134-03 - Forschungsbereich Atomic and Plasma Physics
