Arrangement of Acid Sites on the Surfaces of Anatase Titanium Dioxide Nanoparticles According to Cluster Models Full article
Journal |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
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Output data | Year: 2014, Volume: 55, Number: 4, Pages: 409-415 Pages count : 7 DOI: 10.1134/S0023158414040156 | ||
Tags | Acid Site; Lewis Acid Site; Titanium Atom; Anatase Particle; Anatase Nanoparticles | ||
Authors |
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Affiliations |
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Funding (3)
1 | Federal Agency for Scientific Organizations | V.45.3.2. |
2 | Russian Foundation for Basic Research | 13-08-01286 |
3 | Президиум РАН | 27.56 |
Abstract:
Computer-implemented cluster models have been devised for ∼2-nm anatase nanoparticles with exposed (001) and (100) faces. The Lewis acid sites occurring in these faces have been characterized by calculating the enthalpy of CO adsorption. In the Ti114O228 and Ti187O376H4 clusters, the corner oxygen atoms compensating the electric charge are bound to titanium atoms by double bonds with a length of approximately 1.7 Å, which is in agreement with experimental data. The average enthalpy of CO adsorption on the (001) and (100) faces at a zero coverage is −87.62 and −135.31 kJ/mol, respectively. The deviation from the average value is 20.2 and 8.8%, respectively. The average enthalpy of CO adsorption for the Ti114O228 cluster is −129.40 kJ/mol, and that for the Ti187O376H4 cluster is −119.79 kJ/mol.
Cite:
Vorontsov A.V.
, Tsydenov D.E.
Arrangement of Acid Sites on the Surfaces of Anatase Titanium Dioxide Nanoparticles According to Cluster Models
Kinetics and Catalysis. 2014. V.55. N4. P.409-415. DOI: 10.1134/S0023158414040156 WOS Scopus РИНЦ
Arrangement of Acid Sites on the Surfaces of Anatase Titanium Dioxide Nanoparticles According to Cluster Models
Kinetics and Catalysis. 2014. V.55. N4. P.409-415. DOI: 10.1134/S0023158414040156 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Воронцов А.В.
, Цыденов Д.Э.
Распределение кислотных центров на поверхностях наночастиц диоксида титана в модификации анатаз согласно кластерным моделям
Кинетика и катализ. 2014. Т.55. №4. С.430-437. DOI: 10.7868/S0453881114040157 РИНЦ
Распределение кислотных центров на поверхностях наночастиц диоксида титана в модификации анатаз согласно кластерным моделям
Кинетика и катализ. 2014. Т.55. №4. С.430-437. DOI: 10.7868/S0453881114040157 РИНЦ
Dates:
Submitted: | Oct 14, 2013 |
Published print: | Jul 1, 2014 |
Published online: | Aug 5, 2014 |
Identifiers:
Web of science | WOS:000340360600003 |
Scopus | 2-s2.0-84940218941 |
Elibrary | 24954589 |
Chemical Abstracts | 2014:1271179 |
Chemical Abstracts (print) | 163:235272 |
OpenAlex | W2092141771 |