| Makale Türü |
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| Dergi Adı | Applied Surface Science (Q1) | ||
| Dergi ISSN | 0169-4332 | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2020 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-03-2020 |
| Cilt / Sayı / Sayfa | 506 / 1 / 144756–0 | DOI | 10.1016/j.apsusc.2019.144756 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S016943321933572X | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The ultra-small sized nanomaterials are important for basic functional components of future nanoelectronics, spintronics and sensor devices. In this study, based on first-principles density functional theory, the free-standing and supported nanoflakes of bare and hydrogen saturated black and blue phosphorene of diverse size and shape have been investigated. Cohesion, formation energy, thermal stability and electronic structure of these nanoflakes have been revealed. For nanoflakes supported by specific substrates, such as phosphorene, graphene and Mos2 monolayer, the equilibrium configuration and the binding energy of the flakes, as well as the effects of substrate on the electronic structure have been investigated. While the cohesive and formation energies and HOMO-LUMO gaps of nanoflakes with their edges passivated by hydrogen display clear size, shape and edge geometry dependencies, they are … |
| Anahtar Kelimeler |
| Black phosphorene | Blue phosphorene | Density functional theory | Nano flakes | Surface interaction |
| Atıf Sayıları | |
| Web of Science | 11 |
| Scopus | 10 |
| Google Scholar | 16 |