Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold  and gold-silver surfaces

Mehmet Gökhan ŞENSOY

Makale detayları

Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold and gold-silver surfaces

Yazarlar:

Mehmet Gökhan ŞENSOY

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2019 Vol.43 Issue 5, pp.502-515

Belge Tipi:

Makale

Yayın Tarihi:

9/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000758951

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Özet:

 

A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional  theory (DFT) calculations with an atomistic thermodynamic model is performed. The (111) and (211) facets of gold  and gold-silver alloy surfaces are considered, and their stabilization is discussed upon adsorption of oxygen depending  on O and Ag coverage. The details of how the DFT-based atomistic thermodynamic model can apply to the transition  metal surface are also presented in this work.

Makale detayları

Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold and gold-silver surfaces

Yazarlar: Mehmet Gökhan ŞENSOY

Yayıncı: TUBITAK

Dergi: Turkish Journal of Physics 2019 Vol.43 Issue 5, pp.502-515

Belge Tipi: Makale

Yayın Tarihi: 9/2019

Belge Dili: İngilizce

Document ID (Org No.): 2000758951

Sıklık: İki Aylık

eISSN: 1303-6122

pISSN: 1300-0101

Sayı

Yazarlar:

Mehmet Gökhan ŞENSOY

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2019 Vol.43 Issue 5, pp.502-515

Belge Tipi:

Makale

Yayın Tarihi:

9/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000758951

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101