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Size and Structure Effects on Platinum Nanocatalysts: Theoretical Insights from Methanol Dehydrogenation Научная публикация

Журнал Nanoscale
ISSN: 2040-3364 , E-ISSN: 2040-3372
Вых. Данные Год: 2022, Том: 14, Страницы: 4145-4155 Страниц : 11 DOI: 10.1039/d1nr07947f
Ключевые слова LOW-TEMPERATURE; METAL NANOPARTICLES; ADSORPTION ENERGIES; CARBON-MONOXIDE; CO ADSORPTION; IN-SITU; DECOMPOSITION; SURFACE; SPECTROSCOPY; OXIDATION
Авторы Laletina Svetlana S. 1,2 , Mamatkulov Mikhail 2 , Shor Aleksey M. 1 , Shor Elena A. 1 , Kaichev Vasily V. 2 , Yudanov Ilya V. 2,3
Организации
1 Institute of Chemistry and Chemical Technology (ICCT) of the Siberian Branch of the Russian Academy of Sciences (SB RAS), Federal Research Center “Krasnoyarsk Science Center SB RAS”, Krasnoyarsk, Russia
2 Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia
3 Institute of Solid State Chemistry and Mechanochemistry (ISSCM) SB RAS, Novosibirsk, Russia

Информация о финансировании (3)

1 Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) 0239-2021-0003
2 Российский научный фонд
FWF Austrian Science Fund 		20-43-05002
3 Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) 0287-2021-0012

Реферат: Methanol dehydrogenation on Pt nanoparticles was studied as a model reaction with the focus on size and structure effects employing the density functional theory approach. The effect of cluster morphology is manifested by the higher adsorption energy of COHx intermediates on vertexes and edges of model nanoparticles compared to closely packed terraces. Moreover, due to the size effect, the adsorption sites of Pt79 nanoparticles (1.2 nm in diameter) exhibit considerably higher adsorption activity than the same sites of Pt201 (1.7 nm). Thus, particles with a size of about 1 nm are shown to be more active due to the superposition of two effects: (i) a higher surface fraction of low-coordinated adsorption sites and (ii) higher activity of these sites compared to particles with a size of about 2 nm.
Библиографическая ссылка: Laletina S.S. , Mamatkulov M. , Shor A.M. , Shor E.A. , Kaichev V.V. , Yudanov I.V.
Size and Structure Effects on Platinum Nanocatalysts: Theoretical Insights from Methanol Dehydrogenation
Nanoscale. 2022. V.14. P.4145-4155. DOI: 10.1039/d1nr07947f WOS Scopus РИНЦ CAPlusCA PMID OpenAlex
Даты:
Поступила в редакцию: 3 дек. 2021 г.
Принята к публикации: 7 февр. 2022 г.
Опубликована online: 8 февр. 2022 г.
Опубликована в печати: 1 мар. 2022 г.
Идентификаторы БД:
Web of science: WOS:000758270800001
Scopus: 2-s2.0-85127326264
РИНЦ: 48422521
Chemical Abstracts: 2022:425507
Chemical Abstracts (print): 178:338634
PMID (PubMed): 35187555
OpenAlex: W4210886374
Цитирование в БД:
БД Цитирований
Web of science 3
Scopus 3
РИНЦ 8
OpenAlex 5
Альметрики: