TY  - JOUR
AU  - Vasić, D.
AU  - Pašti, Igor A.
AU  - Gavrilov, Nemanja M.
AU  - Mentus, Slavko V.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5750
AB  - Adsorption of O, O-2, and OH on Pt(111), Pt(100), and Pt(110) surfaces was studied using periodic DFT calculations. It was found that generally adsorbate-surface interaction strengths increase with the decrease in surface packing density. On the Pt(111) surface the dissociation of O-2 molecule was not predicted, but it was predicted on Pt(100) and Pt(110) surfaces. While the strength of the adsorbate-substrate interaction decreases with the rise in surface coverage by O atoms, in the case of OH adsorption adsorbate layer gets stabilized at higher surface coverage through the hydrogen bonding. In spite of all the mentioned differences, single parameter of surface electronic structure was identified, being useful for the explanation of the adsorption trends at different adsorption sites for O and OH adsorption on Pt surfaces of various crystallographic orientations and also provided a deeper understanding of atomic oxygen adsorption as a function of surface coverage.
T2  - Russian Journal of Physical Chemistry A
T1  - DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities
VL  - 87
IS  - 13
SP  - 2214
EP  - 2218
DO  - 10.1134/S0036024413130256
ER  - 

@article{
author = "Vasić, D. and Pašti, Igor A. and Gavrilov, Nemanja M. and Mentus, Slavko V.",
year = "2013",
abstract = "Adsorption of O, O-2, and OH on Pt(111), Pt(100), and Pt(110) surfaces was studied using periodic DFT calculations. It was found that generally adsorbate-surface interaction strengths increase with the decrease in surface packing density. On the Pt(111) surface the dissociation of O-2 molecule was not predicted, but it was predicted on Pt(100) and Pt(110) surfaces. While the strength of the adsorbate-substrate interaction decreases with the rise in surface coverage by O atoms, in the case of OH adsorption adsorbate layer gets stabilized at higher surface coverage through the hydrogen bonding. In spite of all the mentioned differences, single parameter of surface electronic structure was identified, being useful for the explanation of the adsorption trends at different adsorption sites for O and OH adsorption on Pt surfaces of various crystallographic orientations and also provided a deeper understanding of atomic oxygen adsorption as a function of surface coverage.",
journal = "Russian Journal of Physical Chemistry A",
title = "DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities",
volume = "87",
number = "13",
pages = "2214-2218",
doi = "10.1134/S0036024413130256"
}

Vasić, D., Pašti, I. A., Gavrilov, N. M.,& Mentus, S. V.. (2013). DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities. in Russian Journal of Physical Chemistry A, 87(13), 2214-2218.
https://doi.org/10.1134/S0036024413130256

Vasić D, Pašti IA, Gavrilov NM, Mentus SV. DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities. in Russian Journal of Physical Chemistry A. 2013;87(13):2214-2218.
doi:10.1134/S0036024413130256 .

Vasić, D., Pašti, Igor A., Gavrilov, Nemanja M., Mentus, Slavko V., "DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities" in Russian Journal of Physical Chemistry A, 87, no. 13 (2013):2214-2218,
https://doi.org/10.1134/S0036024413130256 . .