| Yazarlar (5) |
Yelda Kadıoğlu
Adnan Menderes Üniversitesi, Türkiye |
|
Fatih Ersan
Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Olcay Üzengi Aktürk
Adnan Menderes Üniversitesi, Türkiye |
|
Ethem Aktürk
Adnan Menderes Üniversitesi, Türkiye |
| Özet |
| This paper presents a study on the adsorption of alkali and alkaline-earth metal atoms on single-layer stanene with different levels of coverage using first-principles plane wave calculations within spin-polarized density functional theory. The most favorable adsorption site for alkali atoms (Li, Na, K) were found to be the hollow site similar to other group IV single-layers, but the case of alkaline-earths on stanene is different from silicene and germanene. Whereas Mg and Ca are bound to stanene at hollow site, the bridge site is found to be energetically favorable for Be adatom. All adsorbed atoms are positively charged due to the charge transfer from adatom to stanene single-layer. The semimetallic bare stanene become metallic except for Be adsorption. The Beryllium adsorption give rise to non-magnetic semiconducting ground state. Our results illustrate that stanene has a reactive and functionalizable surface similar to graphene or silicene. |
| Anahtar Kelimeler |
| Ab-initio calculations | Adsorption | Electronic structure | Single-layer |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | MATERIALS CHEMISTRY AND PHYSICS |
| Dergi ISSN | 0254-0584 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 09-2016 |
| Cilt No | 180 |
| Sayı | 1 |
| Sayfalar | 326 / 331 |
| Doi Numarası | 10.1016/j.matchemphys.2016.06.014 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S025405841630428X |
| Atıf Sayıları | |
| WoS | 39 |
| SCOPUS | 37 |
| Google Scholar | 39 |
