Effect of adatoms and molecules on the physical properties of platinum doped and substituted silicene A first principles investigation
Yazarlar (4)
Fatih Ersan Aydin Adnan Menderes University, Türkiye
Özlem Arslanalp
Aydin Adnan Menderes University, Türkiye
Aydin Adnan Menderes University, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
Ethem Aktürk Aydin Adnan Menderes University, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Applied Surface Science (Q1) | ||
| Dergi ISSN | 0169-4332 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2016 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2016 |
| Cilt / Sayı / Sayfa | 371 / 1 / 314–321 | DOI | 10.1016/j.apsusc.2016.02.225 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0169433216304123 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| In this study, we investigate the adsorption properties of Pt-doped and -substituted silicene by means of first-principles computations. The Pt adsorption and substitution on silicene are able to change the electronic structure remarkably. We find that Pt atom prefers to bind silicene on hollow site with high adsorption energy −5.815 eV. For the substitution of single Pt atom in silicene lattice, 4.401 eV energy is required. Both of the systems have good catalytic properties and have a potential for sensor technology. Especially, catalytic oxidation of CO on Pt-embedded silicene is investigated and it is found that Eley–Rideal (ER) mechanism with a two step route is a suitable way to produce CO2 from CO and activated O2. |
| Anahtar Kelimeler |
| CO oxidationa | Density functional theory | Pt embedded | Silicene |
Science Direct
Effect of adatoms and molecules on the physical properties of platinum doped and substituted silicene A first principles investigation
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 34 |
| Scopus | 33 |
| Google Scholar | 35 |