DFT study of noble metal impurities on TiO2(110)
| dc.authorid | 0000-0002-7632-0954 | en_US |
| dc.authorid | 0000-0002-0916-5616 | en_US |
| dc.contributor.author | Mete, Ersen | |
| dc.contributor.author | Gülseren, Oğuz | |
| dc.contributor.author | Ellialtıoğlu, Şinasi | |
| dc.date.accessioned | 2019-10-17T11:50:42Z | |
| dc.date.available | 2019-10-17T11:50:42Z | |
| dc.date.issued | 2012 | en_US |
| dc.department | Fakülteler, Fen-Edebiyat Fakültesi, Fizik Bölümü | en_US |
| dc.description | Mete, Ersen (Balikesir Author) | en_US |
| dc.description.abstract | Atomic and electronic structures of TiO2(110) surface with possible adsorptional, substitutional and interstitial Au or Pt elemental impurities at full and one-sixth monolayer concentrations were investigated by density functional theory calculations using the projector augmented wave approach within the plane wave method. Relative thermodynamic stabilities of such phases have been discussed by means of their surface free energies. Our results suggest that tunable photocatalytic activity can be achieved on Pt atom admixed rutile (110) surface at low coverages. | en_US |
| dc.identifier.doi | 10.1140/epjb/e2012-21039-x | |
| dc.identifier.issn | 1434-6028 | |
| dc.identifier.issue | 6 | en_US |
| dc.identifier.scopus | 2-s2.0-84864538451 | |
| dc.identifier.scopusquality | Q3 | |
| dc.identifier.uri | https://doi.org/10.1140/epjb/e2012-21039-x | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12462/8774 | |
| dc.identifier.volume | 85 | en_US |
| dc.identifier.wos | WOS:000305693400019 | |
| dc.identifier.wosquality | Q3 | |
| dc.indekslendigikaynak | Web of Science | |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | en_US |
| dc.publisher | Springer | en_US |
| dc.relation.ispartof | European Physical Journal B | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.relation.tubitak | info:eu-repo/grantAgreement/TUBITAK/110T394 | en_US |
| dc.rights | info:eu-repo/semantics/embargoedAccess | en_US |
| dc.subject | Electronic-Properties | en_US |
| dc.subject | Au Atoms | en_US |
| dc.subject | 1st-Principles Calculations | en_US |
| dc.subject | Rutile TiO2(110) | en_US |
| dc.subject | TiO2 Surfaces | en_US |
| dc.subject | SnO2 Surfaces | en_US |
| dc.subject | Energetics | en_US |
| dc.subject | Films | en_US |
| dc.subject | Gold | en_US |
| dc.subject | Transition | en_US |
| dc.title | DFT study of noble metal impurities on TiO2(110) | en_US |
| dc.type | Article | en_US |
