Adsorption of alkali and alkaline earth metal atoms on stanene A first principles study
Yazarlar (5)
Aydin Adnan Menderes University, Türkiye
Aydin Adnan Menderes University, Türkiye
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye
Aydin Adnan Menderes University, Türkiye
Aydin Adnan Menderes University, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan 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 |
| 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 |
Science Direct
Adsorption of alkali and alkaline earth metal atoms on stanene A first principles study
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 39 |
| SCOPUS | 37 |
| Google Scholar | 41 |