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231224s2015 xx |||||o 00| ||eng c |
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|a 10.1021/la504021x
|2 doi
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|a eng
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| 100 |
1 |
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|a Merino, P
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Ortho and para hydrogen dimers on G/SiC(0001)
|b combined STM and DFT study
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|c 2015
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|a Text
|b txt
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|a Date Completed 10.03.2016
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|a Date Revised 13.01.2015
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a 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√3 × 6√3)R30° 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 that H 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 hydrogen adsorbed in para dimers and ortho dimers configuration, respectively, through comparison with the theory
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|a Journal Article
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|a Hydrogen
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|a Švec, M
|e verfasserin
|4 aut
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|a Martínez, J I
|e verfasserin
|4 aut
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|a Mutombo, P
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|a Gonzalez, C
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|a Martín-Gago, J A
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|a de Andres, P L
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|a Jelinek, P
|e verfasserin
|4 aut
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1999
|g 31(2015), 1 vom: 12., Seite 233-9
|w (DE-627)NLM098181009
|x 1520-5827
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|g volume:31
|g year:2015
|g number:1
|g day:12
|g pages:233-9
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