Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO
Научная публикация
| Общее |
Язык:
Английский,
Жанр:
Статья (Full article),
Статус опубликования:
Опубликована,
Оригинальность:
Оригинальная
|
| Журнал |
The Journal of Physical Chemistry C
ISSN: 1932-7447
, E-ISSN: 1932-7455
|
| Вых. Данные |
Год: 2019,
Том: 123,
Номер: 13,
Страницы: 8037-8046
Страниц
: 10
DOI:
10.1021/acs.jpcc.8b07402
|
| Ключевые слова |
METAL NANOPARTICLES; CATALYTIC-ACTIVITY; ADSORPTION ENERGY; SIZE-DEPENDENCE; MODEL CATALYSTS; DFT; XPS; AU; OXIDATION; CLUSTERS |
| Авторы |
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
|
| Организации |
| 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
|
|
Информация о финансировании (4)
|
1
|
Российский научный фонд
|
14-23-00146
|
|
2
|
Ministry of Economy and Business
|
CTQ2015-64618-R
|
|
3
|
Government of Catalonia
|
2017SGR13
|
|
4
|
Ministry of Education, Culture and Sport
|
PRX17/00348
|
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.