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Akademisyenler > Gökhan GÖKOĞLU > Yayın Detayı

Interactions of h AlN monolayer with platinum oxygen and their clusters       
Yazarlar (4)
Fatih Ersan
Adnan Menderes Üniversitesi, Türkiye
Aynur Akçay
Türkiye
Prof. Dr. Gökhan GÖKOĞLU Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye
Ethem Aktürk
Adnan Menderes Üniversitesi, Türkiye
Devamını Göster
Özet
In this paper, we investigate the adsorption properties of single Pt and O atoms, and PtO, Pt2O, and PtO2 clusters on hexagonal AlN monolayer as well as several substitutions in AlN structure. We employ density functional theory to study electronic structure and charge transfers by considering nonmagnetic and ferromagnetic states. PtO and Pt2O adsorbed AlN system has ferromagnetic ground state with 2.00 μB magnetic moment, while PtO2, Pt, and O adsorption lead to nonmagnetic structures. Pt adsorbed AlN system has the lowest adsorption energy with -3.175 eV indicating the most stable structure energetically. Oxygen atom largely disrupts the AlN layer due to strong N-O repulsion caused by high electronegativities of N and O atoms. The substitution of AlN monolayer with Pt and O atoms also presents interesting features. The various substitutions are able to yield ferromagnetic structures with semiconducting (AlO), metallic (NPt), or half-metallic (AlPt) ground states. These properties can lead to possible applications in spintronics and nanoelectronics.
Anahtar Kelimeler
Adsorption | Density functional theory | Hexagonal AlN | O | Pt | PtO
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı CHEMICAL PHYSICS
Dergi ISSN 0301-0104 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili İngilizce
Basım Tarihi 07-2015
Cilt No 455
Sayı 1
Sayfalar 73 / 80
Doi Numarası 10.1016/j.chemphys.2015.03.012
Makale Linki http://linkinghub.elsevier.com/retrieve/pii/S0301010415000944
Atıf Sayıları
WoS 13
SCOPUS 13
Google Scholar 17
Interactions of h AlN monolayer with platinum oxygen and their clusters

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