<div class="csl-bib-body">
<div class="csl-entry">Feldbauer, G., Wolloch, M., Bedolla, P. O., Redinger, J., Vernes, A., & Mohn, P. (2018). Suppression of material transfer at contacting surfaces: the effect of adsorbates on Al/TiN and Cu/diamond interfaces from first-principles calculations. <i>Journal of Physics: Condensed Matter</i>, <i>30</i>(10), Article 105001. https://doi.org/10.1088/1361-648x/aaac91</div>
</div>
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dc.identifier.issn
0953-8984
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/145505
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dc.description.abstract
The effect of monolayers of oxygen (O) and hydrogen (H) on the possibility of material
transfer at aluminium/titanium nitride (Al/TiN) and copper/diamond (Cu/Cdia) interfaces,
respectively, were investigated within the framework of density functional theory (DFT).
To this end the approach, contact, and subsequent separation of two atomically flat surfaces
consisting of the aforementioned pairs of materials were simulated. These calculations
were performed for the clean as well as oxygenated and hydrogenated Al and Cdia surfaces,
respectively. Various contact configurations were considered by studying several lateral
arrangements of the involved surfaces at the interface. Material transfer is typically possible
at interfaces between the investigated clean surfaces; however, the addition of O to the Al and H to the Cdia surfaces was found to hinder material transfer. This passivation occurs because of a significant reduction of the adhesion energy at the examined interfaces, which can be explained by the distinct bonding situations.
en
dc.language.iso
en
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dc.relation.ispartof
Journal of Physics: Condensed Matter
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dc.subject
Condensed Matter Physics
en
dc.subject
General Materials Science
en
dc.subject
DFT
en
dc.subject
passivation
en
dc.subject
electronic structure
en
dc.subject
heterointerfaces
en
dc.subject
nanotribology
en
dc.subject
material transfer
en
dc.subject
adhesion
en
dc.title
Suppression of material transfer at contacting surfaces: the effect of adsorbates on Al/TiN and Cu/diamond interfaces from first-principles calculations
en
dc.type
Artikel
de
dc.type
Article
en
dc.type.category
Original Research Article
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tuw.container.volume
30
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tuw.container.issue
10
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tuw.journal.peerreviewed
true
-
tuw.peerreviewed
true
-
tuw.researchTopic.id
M3
-
tuw.researchTopic.name
Metallic Materials
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tuw.researchTopic.value
100
-
dcterms.isPartOf.title
Journal of Physics: Condensed Matter
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tuw.publication.orgunit
E134-01 - Forschungsbereich Applied and Computational Physics
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tuw.publisher.doi
10.1088/1361-648x/aaac91
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dc.date.onlinefirst
2018-02-16
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dc.identifier.articleid
105001
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dc.identifier.eissn
1361-648X
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dc.description.numberOfPages
12
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tuw.author.orcid
0000-0002-9327-0450
-
tuw.author.orcid
0000-0002-3419-5526
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wb.sci
true
-
wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1030
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wb.facultyfocus
Physikalische Technologie
de
wb.facultyfocus
Physical Technology
en
wb.facultyfocus.faculty
E130
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item.fulltext
no Fulltext
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item.openairetype
research article
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item.languageiso639-1
en
-
item.grantfulltext
none
-
item.openairecristype
http://purl.org/coar/resource_type/c_2df8fbb1
-
item.cerifentitytype
Publications
-
crisitem.author.dept
E134 - Institut für Angewandte Physik
-
crisitem.author.dept
E134-01 - Forschungsbereich Applied and Computational Physics