Size and Structure Effects on Platinum Nanocatalysts: Theoretical Insights from Methanol Dehydrogenation | Sciact - CRIS-system of Boreskov Institute of Catalysis

Size and Structure Effects on Platinum Nanocatalysts: Theoretical Insights from Methanol Dehydrogenation Full article

Journal

Nanoscale
ISSN: 2040-3364 , E-ISSN: 2040-3372

Output data

Year: 2022, Volume: 14, Pages: 4145-4155 Pages count : 11 DOI: 10.1039/d1nr07947f

Tags

LOW-TEMPERATURE; METAL NANOPARTICLES; ADSORPTION ENERGIES; CARBON-MONOXIDE; CO ADSORPTION; IN-SITU; DECOMPOSITION; SURFACE; SPECTROSCOPY; OXIDATION

Authors

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

Affiliations

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

Funding (3)

1	Ministry of Science and Higher Education of the Russian Federation	0239-2021-0003
2	Russian Science Foundation FWF Austrian Science Fund	20-43-05002
3	Ministry of Science and Higher Education of the Russian Federation	0287-2021-0012

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.

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 ANCAN PMID OpenAlex

Submitted:	Dec 3, 2021
Accepted:	Feb 7, 2022
Published online:	Feb 8, 2022
Published print:	Mar 1, 2022

Web of science:	WOS:000758270800001
Scopus:	2-s2.0-85127326264
Elibrary:	48422521
Chemical Abstracts:	2022:425507
Chemical Abstracts (print):	178:338634
PMID:	35187555
OpenAlex:	W4210886374

DB	Citing
Web of science	3
Scopus	3
Elibrary	8
OpenAlex	5