Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO | Sciact - CRIS-system of Boreskov Institute of Catalysis

Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO Full article

Journal

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Output data

Year: 2019, Volume: 123, Number: 13, Pages: 8037-8046 Pages count : 10 DOI: 10.1021/acs.jpcc.8b07402

Tags

METAL NANOPARTICLES; CATALYTIC-ACTIVITY; ADSORPTION ENERGY; SIZE-DEPENDENCE; MODEL CATALYSTS; DFT; XPS; AU; OXIDATION; CLUSTERS

Authors

Mamatkulov Mikhail ¹ , Yudanov Ilya V. ^1,2 , Bukhtiyarov Andrey V. ¹ , Prosvirin Igor P. ¹ , Bukhtiyarov Valerii I. ¹ , Neyman Konstantin M. ^3,4

Affiliations

1	Boreskov Institute of Catalysis of the Siberian Branch of Russian Academy of Sciences (SB RAS), 630090 Novosibirsk, Russia
2	Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Scientific Center SB RAS”, 660036 Krasnoyarsk, Russia
3	Departament de Ciència de Materials i Química Física and Institut de Quimica Teòrica i Computacional, Universitat de Barcelona, c/Martí i Franquès 1, 08028 Barcelona, Spain
4	Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, 08010 Barcelona, Spain

Funding (4)

1	Ministry of Education and Vocational Training	PRX17/00348
2	Ministry of Economic Affairs and Digital Transformation	CTQ2015-64618-R
3	Government of Catalonia	2017SGR13
4	Russian Science Foundation	14-23-00146

For bimetallic Pd–Au/HOPG model catalysts, reversible enrichment of the surface by Pd under CO oxidation conditions was found using a near-ambient pressure X-ray photoelectron spectroscopy technique. Density functional calculations combined with calculations using the topological energy expression method were applied to reveal the mechanism of this phenomenon and to quantify the stability of different arrangements of metal atoms in bimetallic PdAu nanoparticles in the presence of CO adsorbate. According to results of this computational approach, adsorption of CO already at a rather moderate coverage is sufficient to make energetically feasible segregation of Pd at terraces of PdAu nanoparticles similar in size with experimentally studied ones.

Mamatkulov M. , Yudanov I.V. , Bukhtiyarov A.V. , Prosvirin I.P. , Bukhtiyarov V.I. , Neyman K.M.
Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO
The Journal of Physical Chemistry C. 2019. V.123. N13. P.8037-8046. DOI: 10.1021/acs.jpcc.8b07402 WOS Scopus РИНЦ ANCAN OpenAlex

Submitted:	Jul 31, 2018
Accepted:	Sep 28, 2018
Published online:	Oct 16, 2018
Published print:	Apr 4, 2019

Web of science:	WOS:000463844500052
Scopus:	2-s2.0-85056264683
Elibrary:	38637778
Chemical Abstracts:	2018:1938894
Chemical Abstracts (print):	170:395452
OpenAlex:	W2897055375

DB	Citing
Scopus	52
Web of science	51
Elibrary	55
OpenAlex	52