Dipeptide adsorption on Si (100)-2x1 asymmetric surface by first principles
dc.citation.epage | 106 | en_US |
dc.citation.issueNumber | 1 | en_US |
dc.citation.spage | 97 | en_US |
dc.citation.volumeNumber | 21 | en_US |
dc.contributor.author | Aktürk, E. | en_US |
dc.contributor.author | Gülseren, O. | en_US |
dc.contributor.author | Arkin, H. | en_US |
dc.contributor.author | Çelik, T. | en_US |
dc.date.accessioned | 2019-01-25T09:32:34Z | |
dc.date.available | 2019-01-25T09:32:34Z | |
dc.date.issued | 2010 | en_US |
dc.department | Department of Physics | en_US |
dc.department | Nanotechnology Research Center (NANOTAM) | en_US |
dc.description.abstract | The adsorption of alanine dipeptide on a Si(100)-2 × 1 asymmetric surface is studied by using pseudopotential plane wave approach based on Density Functional Theory (DFT). Adsorption energies for different surface sites of various conformations are calculated and the groove site is found to be energetically most favorable. We observed that the molecule-surface interactions might modify surface reconstruction: asymmetric surface dimers reconstruct to asymmetric dimers in opposite directions doubling the surface periodicity, which in turn gives the surface metallic properties. | en_US |
dc.description.provenance | Submitted by Mustafa Er (mer@bilkent.edu.tr) on 2019-01-25T09:32:34Z No. of bitstreams: 1 Dipeptide_adsorption_on_Si(100)-2x1_ asymmetric_surface_ by_first_principles.pdf: 672755 bytes, checksum: 1ef1a03bcf2d71795f65f7f982c96678 (MD5) | en |
dc.description.provenance | Made available in DSpace on 2019-01-25T09:32:34Z (GMT). No. of bitstreams: 1 Dipeptide_adsorption_on_Si(100)-2x1_ asymmetric_surface_ by_first_principles.pdf: 672755 bytes, checksum: 1ef1a03bcf2d71795f65f7f982c96678 (MD5) Previous issue date: 2010 | en |
dc.identifier.doi | 10.1142/S0129183110015026 | en_US |
dc.identifier.eissn | 1793-6586 | |
dc.identifier.issn | 0129-1831 | |
dc.identifier.uri | http://hdl.handle.net/11693/48365 | |
dc.language.iso | English | en_US |
dc.publisher | World Scientific Publishing Co. Pte. Ltd | en_US |
dc.relation.isversionof | http://www.dx.doi.org/10.1142/S0129183110015026 | en_US |
dc.source.title | International journal of modern physics C | en_US |
dc.subject | Peptide adsorption | en_US |
dc.subject | Si(100)-2 × 1 surface | en_US |
dc.subject | Density functional theory | en_US |
dc.title | Dipeptide adsorption on Si (100)-2x1 asymmetric surface by first principles | en_US |
dc.type | Article | en_US |
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