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Bibliographic record number: 513938

Journal

Authors: Busse, Carsten; Lazić, Predrag; Djemour, Rabie; Coraux, Johann; Gerber, Timm; Atodiresei, Nicolae; Caciuc, Vasile; Brako, Radovan; N'Diaye, Alpha T.; Blügel, Stefan; Zegenhagen, Jörg; Michely, Thomas
Title: Graphene on Ir(111): Physisorption with chemical modulation
( Graphene on Ir(111): Physisorption with chemical modulation )
Source: Physical Review Letters (0031-9007) 107 (2011), 3; 036101-1-036101-4
Paper type: article
Keywords: graphene; Ir(111); physisorption; chemical modulation
( graphene; Ir(111); physisorption; chemical modulation )
Abstract:
The nonlocal van der Waals density functional (vdW-DF) approach is applied to calculate the binding of graphene to Ir(111). The precise agreement of the calculated mean height h = 3.41 Å ; of the C atoms with their mean height h = (3.38 ± 0.04) Å ; as measured by the X-ray standing wave (XSW) technique provides a benchmark for the applicability of the non-local functional. We find bonding of graphene to Ir(111) to be due to the van der Waals interaction with an antibonding average contribution from chemical interaction. Despite its globally repulsive character, in certain areas of the large graphene moiré unit cell charge accumulation between Ir substrate and graphene C atoms is observed, signaling a weak covalent bond formation.
Project / theme: 098-0352828-2863
Original language: eng
Citation databases: Current Contents Connect (CCC)
MEDLINE
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Category: Znanstveni
Research fields:
Physics
URL: http://prl.aps.org/abstract/PRL/v107/i3/e036101
http://link.aps.org/doi/10.1103/PhysRevLett.107.036101
Broj citata:
Altmetric:
DOI: 10.1103/PhysRevLett.107.036101
URL cjelovitog rada:
Google Scholar: Graphene on Ir(111): Physisorption with chemical modulation
Contrib. to CROSBI by: sokcevic@irb.hr (sokcevic@irb.hr), 23. Svi. 2011. u 12:22 sati



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