Free-standing and supported phosphorene nanoflakes: Shape- and size-dependent properties
Yazarlar (7)
M. Y. Bakir
Aydin Adnan Menderes University, Türkiye
H. D. Ozaydin
Aydin Adnan Menderes University, Türkiye
T. Gorkan Aydin Adnan Menderes University, Türkiye
O. Üzengi Aktürk
Aydin Adnan Menderes University, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
E. Aktürk Aydin Adnan Menderes University, Türkiye
S. Ciraci
Bilkent Üniversitesi, Türkiye
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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
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