Ortho and para hydrogen dimers on G/SiC(0001): combined STM and DFT study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F15%3A00456658" target="_blank" >RIV/68378271:_____/15:00456658 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/la504021x" target="_blank" >http://dx.doi.org/10.1021/la504021x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/la504021x" target="_blank" >10.1021/la504021x</a>
Alternative languages
Result language
angličtina
Original language name
Ortho and para hydrogen dimers on G/SiC(0001): combined STM and DFT study
Original language description
The hydrogen (H) dimer structures formed upon room-temperature H adsorption on single layer graphene (SLG) grown on SiC(0001) are addressed using a combined theoretical-experimental approach. Our study includes density functional theory (DFT) calculations for the full (6 root 3 x 6v3)R30 degrees unit cell of the SLG/SiC(0001) substrate and atomically resolved scanning tunneling microscopy images determining simultaneously the graphene lattice and the internal structure of the H adsorbates. We show thatH atoms normally group in chemisorbed coupled structures of different sizes and orientations. We make an atomic scale determination of the most stable experimental geometries, the small dimers and ellipsoid-shaped features, and we assign them to hydrogenadsorbed in para dimers and ortho dimers configuration, respectively, through comparison with the theory.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA14-02079S" target="_blank" >GA14-02079S: Control of single electron charge states in molecules on surfaces</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Langmuir
ISSN
0743-7463
e-ISSN
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Volume of the periodical
31
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
233-239
UT code for WoS article
000348085900032
EID of the result in the Scopus database
2-s2.0-84921323159