期刊
NANOSCALE
卷 6, 期 18, 页码 10850-10858出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4nr02717e
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资金
- Austrian Ministry of Science BMWF as part of the UniInfrastrukturprogramm of the Focal Point Scientific Computing at the University of Innsbruck
- Austrian Science Fund (FWF) DK+ project Computational Interdisciplinary Modeling [W1227-N16]
- Spanish MICINN [CTQ2012-30751]
- Generalitat de Catalunya [2009SGR1041]
- Generalitat de Catalunya (XRQTC)
- MINECO [JCI-2010-06372, RYC-2012-10129]
- ICREA Academia award for excellence in university research
- Tennessee NSF-EPSCoR Grant TN-SCORE [NSF EPS 1004083]
- European Commission
- EPSCoR
- Office Of The Director [1004083] Funding Source: National Science Foundation
A density functional theory study accounting for van der Waals interactions reveals the potential of metal surface vacancies as anchor points for the construction of user-defined 2D patterns of adsorbate molecules via a controlled self-assembly process. Vice versa, energetic criteria indicate the formation of regular adsorbate-induced vacancies after adsorbate self-assembly on clean surfaces. These processes are exemplified by adsorbing C-60 fullerene on Al(111), Au(111), and Be(0001) surfaces with and without single, triple, and septuple atom pits. An analysis of vacancy-adatom formation energetics precedes the study of the adsorption processes.
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