Universität zu Köln

Silva, Caio C., Iannuzzi, Marcella ORCID: 0000-0001-9717-2527, Duncan, David A., Ryan, Paul T. P. ORCID: 0000-0002-4221-9962, Clarke, Katherine T., Kuechle, Johannes T., Cai, Jiaqi, Jolie, Wouter, Schlueter, Christoph, Lee, Tien-Lin and Busse, Carsten (2018). Valleys and Hills of Graphene on Ru(0001). J. Phys. Chem. C, 122 (32). S. 18554 - 18562. WASHINGTON: AMER CHEMICAL SOC. ISSN 1932-7455

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Abstract

The structure of graphene on Ru(0001) has been extensively studied over the last decade, yet with no general agreement. Here, we analyze graphene's valleys and hills using a combination of X-ray standing wave (XSW) and density functional theory (DFT). The chemical specificity of XSW allows an independent analysis of valleys and hills, which, together with the DFT model, results in the precise determination of the distance between the flat, strongly bounded valleys of graphene and the substrate as well as the corrugation presented in the weakly bounded hills. From the theoretical viewpoint, the good agreement with the experiment validates the choices regarding the unit cell size and the nonlocal correlation functional.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Silva, Caio C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Iannuzzi, Marcella UNSPECIFIED orcid.org/0000-0001-9717-2527 UNSPECIFIED Duncan, David A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ryan, Paul T. P. UNSPECIFIED orcid.org/0000-0002-4221-9962 UNSPECIFIED Clarke, Katherine T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kuechle, Johannes T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Cai, Jiaqi UNSPECIFIED UNSPECIFIED UNSPECIFIED Jolie, Wouter UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlueter, Christoph UNSPECIFIED UNSPECIFIED UNSPECIFIED Lee, Tien-Lin UNSPECIFIED UNSPECIFIED UNSPECIFIED Busse, Carsten UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-176363
DOI:	10.1021/acs.jpcc.8b05671
Journal or Publication Title:	J. Phys. Chem. C
Volume:	122
Number:	32
Page Range:	S. 18554 - 18562
Date:	2018
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1932-7455
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language HEXAGONAL BORON-NITRIDE; X-RAY PHOTOEMISSION; ADSORPTION; CU(111); GROWTH Multiple languages Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/17636