| Yazarlar (3) |
Yelda Kadıoğlu
Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Olcay Üzengi Aktürk
Adnan Menderes Üniversitesi, Türkiye |
| Özet |
| In view of first principles calculations, we investigate the electronic structure redecoration of monolayer MoS 2 upon adsorptions of AuAg, AuPt, AuPd, AuCu, and AuAl bimetallic dimers. Geometrical structure, band structures, electronic density of states, charge density differences of dimer adsorbed MoS 2 systems are presented and discussed. All the systems studied have non-magnetic ground states. Charge transfers occur from dimer to surface except for AuPt adsorption. Our results indicate that the semiconductor MoS 2 maintains its semiconductor character with decreased band gaps upon AuAg, AuCu, and AuAl adsorptions. However, MoS 2 shows metallic behaviour by AuPt and AuPd adsorptions, so Pt-d and Pd-d states cross Fermi level yielding metallic character. AuPt adsorbed system has the highest E ads value of 3.15 eV indicating the most stable structure energetically among the dimer adsorbed MoS 2 systems considered. |
| Anahtar Kelimeler |
| AuAg | AuAl dimers | AuCu | AuPd | AuPt | Electronic structure | Molybdenum disulfide (MoS ) 2 |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | APPLIED SURFACE SCIENCE |
| Dergi ISSN | 0169-4332 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q1 |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2017 |
| Cilt No | 396 |
| Sayı | 1 |
| Sayfalar | 455 / 460 |
| Doi Numarası | 10.1016/j.apsusc.2016.10.175 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0169433216323121 |
| Atıf Sayıları | |
| WoS | 8 |
| SCOPUS | 8 |
| Google Scholar | 8 |
