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Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO Научная публикация

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 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 Российский научный фонд 14-23-00146

Реферат: 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.
Библиографическая ссылка: 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 CAPlusCA OpenAlex
Даты:
Поступила в редакцию: 31 июл. 2018 г.
Принята к публикации: 28 сент. 2018 г.
Опубликована online: 16 окт. 2018 г.
Опубликована в печати: 4 апр. 2019 г.
Идентификаторы БД:
Web of science: WOS:000463844500052
Scopus: 2-s2.0-85056264683
РИНЦ: 38637778
Chemical Abstracts: 2018:1938894
Chemical Abstracts (print): 170:395452
OpenAlex: W2897055375
Цитирование в БД:
БД Цитирований
Scopus 51
Web of science 49
РИНЦ 49
OpenAlex 51
Альметрики: