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Value
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dc.contributor.author
Patra, Abhilash
-
dc.contributor.author
Jana, Subrata
-
dc.contributor.author
Samal, Prasanjit
-
dc.contributor.author
Tran, Fabien
-
dc.contributor.author
Kalantari, Leila
-
dc.contributor.author
Doumont, Jan
-
dc.contributor.author
Blaha, Peter
-
dc.date.accessioned
2022-12-23T15:30:40Z
-
dc.date.available
2022-12-23T15:30:40Z
-
dc.date.issued
2021
-
dc.identifier.citation
<div class="csl-bib-body"> <div class="csl-entry">Patra, A., Jana, S., Samal, P., Tran, F., Kalantari, L., Doumont, J., & Blaha, P. (2021). Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals. <i>The Journal of Physical Chemistry C</i>, <i>125</i>(20), 11206–11215. https://doi.org/10.1021/acs.jpcc.1c02031</div> </div>
-
dc.identifier.issn
1932-7447
-
dc.identifier.uri
http://hdl.handle.net/20.500.12708/137567
-
dc.language.iso
en
-
dc.publisher
American Chemical Society (ACS)
-
dc.relation.ispartof
The Journal of Physical Chemistry C
-
dc.subject
General Energy
-
dc.subject
Electronic, Optical and Magnetic Materials
-
dc.subject
Physical and Theoretical Chemistry
-
dc.subject
Surfaces, Coatings and Films
-
dc.title
Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals
en
dc.type
Artikel
de
dc.type
Article
en
dc.description.startpage
11206
-
dc.description.endpage
11215
-
dc.type.category
Original Research Article
-
tuw.container.volume
125
-
tuw.container.issue
20
-
tuw.journal.peerreviewed
true
-
tuw.peerreviewed
true
-
tuw.researchTopic.id
C1
-
tuw.researchTopic.id
Q3
-
tuw.researchTopic.id
M2
-
tuw.researchTopic.name
Computational Materials Science
-
tuw.researchTopic.name
Quantum Modelling and Simulation
-
tuw.researchTopic.name
Materials Characterization
-
tuw.researchTopic.value
40
-
tuw.researchTopic.value
20
-
tuw.researchTopic.value
40
-
dcterms.isPartOf.title
The Journal of Physical Chemistry C
-
tuw.publication.orgunit
E165-03 - Forschungsbereich Theoretische Chemie
-
tuw.publication.orgunit
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k
-
tuw.publisher.doi
10.1021/acs.jpcc.1c02031
-
dc.identifier.eissn
1932-7455
-
dc.description.numberOfPages
10
-
tuw.author.orcid
0000-0001-5792-3875
-
tuw.author.orcid
0000-0002-3736-1948
-
tuw.author.orcid
0000-0001-5849-5788
-
wb.sci
true
-
wb.sciencebranch
Chemie
-
wb.sciencebranch.oefos
1040
-
wb.facultyfocus
Chemistry and Technology of Materials
de
wb.facultyfocus
Chemistry and Technology of Materials
en
wb.facultyfocus.faculty
E150
-
item.cerifentitytype
Publications
-
item.cerifentitytype
Publications
-
item.openairecristype
http://purl.org/coar/resource_type/c_18cf
-
item.openairecristype
http://purl.org/coar/resource_type/c_18cf
-
item.fulltext
no Fulltext
-
item.grantfulltext
restricted
-
item.languageiso639-1
en
-
item.openairetype
Artikel
-
item.openairetype
Article
-
crisitem.author.dept
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k
-
crisitem.author.dept
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k
-
crisitem.author.dept
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k
-
crisitem.author.dept
E165 - Institut für Materialchemie
-
crisitem.author.orcid
0000-0001-5849-5788
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
crisitem.author.parentorg
E150 - Fakultät für Technische Chemie
-
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