| Yazarlar (3) |
Yelda Kadıoğlu
Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Olcay Üzengi Aktürk
Adnan Menderes Üniversitesi, Türkiye |
| Özet |
| In this study, we investigate the adsorption properties of Au, Cu, and Au x Cu y nanoclusters on MoS 2 sheet and the interactions of the adsorbed systems with CO and H 2 O molecules by using first principles calculations. Results indicate that Au, Cu, or Au x Cu y strongly binds to MoS 2 monolayer resulting in enhanced chemical activity and sensitivity toward CO and H 2 O molecules compared to bare MoS 2 monolayer. Although both CO and H 2 O molecules bind weakly to pristine MoS 2 monolayer, CO strongly binds to MoS 2 sheet in the presence of Au, Cu atoms or Au x Cu y clusters. Semiconductor MoS 2 monolayer turns into metal upon Au or Cu adsorption. Au x Cu y nanocluster adsorption decreases the band gap of MoS 2 monolayer acting as a n-type dopant. Au x Cu y -doped MoS 2 systems have improved adsorption properties for CO and H 2 O molecules, so the conclusions provided in this study can be useful as a guide for next generation device modeling. |
| Anahtar Kelimeler |
| CO H O adsorption 2 | Density functional theory | Electronic structure | Gold–copper (Au Cu ) clusters x y | Molybdenum disulfide (MoS ) 2 | n-Type dopants | Two dimensional materials |
| 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 | 12-2017 |
| Cilt No | 425 |
| Sayı | 1 |
| Sayfalar | 246 / 253 |
| Doi Numarası | 10.1016/j.apsusc.2017.06.333 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0169433217319888 |
