Functionalisation of hexagonal boron phosphide (h-BP) monolayer via atomic adsorption
Yazarlar (4)
Aydin Adnan Menderes University, Türkiye
Aydin Adnan Menderes University, Türkiye
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye
Aydin Adnan Menderes University, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Philosophical Magazine Letters |
| Dergi ISSN | 0950-0839 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q4 |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2020 |
| Cilt No | 100 |
| Sayı | 3 |
| Sayfalar | 116 / 127 |
| DOI Numarası | 10.1080/09500839.2020.1728587 |
| Makale Linki | https://www.tandfonline.com/doi/full/10.1080/09500839.2020.1728587 |
| Özet |
| In this study, we investigate the adsorption properties of Fe, Co, Ni, Cu, Zn, In, Tl, Ar atoms on hexagonal boron phosphide monolayer (h-BP) using density functional theory within both GGA and LDA functionals. Bare h-BP is a direct gap semiconductor with planar structure. The adsorption of the atoms on h-BP exhibits a large variety of electronic properties like semiconducting, metallic, and half-metallic states. Fe- and Ni-adsorbed h-BPs show semiconducting character with decreased band gaps. Ni atom is strongly adsorbed on the surface giving largest adsorption energy observed in this work. Fe-adsorbed system is a semiconducting ferromagnet with 1.95 µB magnetic moment. Co adsorption results in a half-metallic behaviour with 1.00 µB net magnetic moment and a perfect spin polarisation at Fermi level. Cu, In, and Tl adsorbed h-BP systems show metallic character. The results obtained show that h-BP surface can be functionalised via adsorption of related single atoms and can be suitable for various applications in optoelectronics and spintronics. |
| Anahtar Kelimeler |
| atomic adsorption | boron phosphide monolayer | density functional theory | electronic structure | Two dimensional materials |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 8 |
| SCOPUS | 8 |
| Google Scholar | 10 |