The State and Reactivity of Pt6 Particles in ZSM-5 Zeolite
The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt 6 particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite su...
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| Veröffentlicht in: | Catalysis letters 2008, Vol.120 (1-2), p.8-13 |
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| creator | Mikhailov, M. N. Kustov, L. M. Kazansky, V. B. |
| description | The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt
6
particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E
ads
= 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites. |
| doi_str_mv | 10.1007/s10562-007-9245-z |
| format | Article |
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6
particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E
ads
= 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites.</description><identifier>ISSN: 1011-372X</identifier><identifier>EISSN: 1572-879X</identifier><identifier>DOI: 10.1007/s10562-007-9245-z</identifier><language>eng</language><publisher>Boston: Springer US</publisher><subject>Alkanes ; Catalysis ; Chemistry ; Chemistry and Materials Science ; Density functional theory ; Electronic structure ; Industrial Chemistry/Chemical Engineering ; Isomerization ; Metal clusters ; Metal particles ; Organometallic Chemistry ; Oxidation ; Physical Chemistry ; Platinum ; Silicon dioxide ; Zeolites</subject><ispartof>Catalysis letters, 2008, Vol.120 (1-2), p.8-13</ispartof><rights>Springer Science+Business Media, LLC 2007</rights><rights>Catalysis Letters is a copyright of Springer, (2007). All Rights Reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c268z-56146b0142092a4b865e04497ab8b30d5ab3f69d7380dc28d7d7778d78e1a0743</citedby><cites>FETCH-LOGICAL-c268z-56146b0142092a4b865e04497ab8b30d5ab3f69d7380dc28d7d7778d78e1a0743</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10562-007-9245-z$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10562-007-9245-z$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Mikhailov, M. N.</creatorcontrib><creatorcontrib>Kustov, L. M.</creatorcontrib><creatorcontrib>Kazansky, V. B.</creatorcontrib><title>The State and Reactivity of Pt6 Particles in ZSM-5 Zeolite</title><title>Catalysis letters</title><addtitle>Catal Lett</addtitle><description>The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt
6
particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E
ads
= 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites.</description><subject>Alkanes</subject><subject>Catalysis</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Density functional theory</subject><subject>Electronic structure</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Isomerization</subject><subject>Metal clusters</subject><subject>Metal particles</subject><subject>Organometallic Chemistry</subject><subject>Oxidation</subject><subject>Physical Chemistry</subject><subject>Platinum</subject><subject>Silicon dioxide</subject><subject>Zeolites</subject><issn>1011-372X</issn><issn>1572-879X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNp1kMFKAzEYhIMoWKsP4C3gOfonm2wSb1K0ChWLrVB6CdndrG6puzVJhfbpTVnBk6eZw3wzMAhdUrimAPImUBA5I8kSzbgg-yM0oEIyoqReHCcPlJJMssUpOgthBQBaUj1At_MPh2fRRodtW-FXZ8vYfDdxh7saT2OOp9bHply7gJsWL2fPROCl69ZNdOfopLbr4C5-dYjeHu7no0cyeRk_je4mpGS52hORU54XQDkDzSwvVC4ccK6lLVSRQSVskdW5rmSmoCqZqmQlpUyiHLUgeTZEV33vxndfWxeiWXVb36ZJw5hQmlOdsZSifar0XQje1Wbjm0_rd4aCOVxk-ovMwR4uMvvEsJ4JKdu-O__X_D_0AwMNZqg</recordid><startdate>2008</startdate><enddate>2008</enddate><creator>Mikhailov, M. N.</creator><creator>Kustov, L. M.</creator><creator>Kazansky, V. B.</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PHGZM</scope><scope>PHGZT</scope><scope>PKEHL</scope><scope>PQEST</scope><scope>PQGLB</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope></search><sort><creationdate>2008</creationdate><title>The State and Reactivity of Pt6 Particles in ZSM-5 Zeolite</title><author>Mikhailov, M. N. ; Kustov, L. M. ; Kazansky, V. B.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c268z-56146b0142092a4b865e04497ab8b30d5ab3f69d7380dc28d7d7778d78e1a0743</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Alkanes</topic><topic>Catalysis</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Density functional theory</topic><topic>Electronic structure</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Isomerization</topic><topic>Metal clusters</topic><topic>Metal particles</topic><topic>Organometallic Chemistry</topic><topic>Oxidation</topic><topic>Physical Chemistry</topic><topic>Platinum</topic><topic>Silicon dioxide</topic><topic>Zeolites</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Mikhailov, M. N.</creatorcontrib><creatorcontrib>Kustov, L. M.</creatorcontrib><creatorcontrib>Kazansky, V. B.</creatorcontrib><collection>CrossRef</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central</collection><collection>Technology Collection (ProQuest)</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>Materials Science Collection</collection><collection>ProQuest Central (New)</collection><collection>ProQuest One Academic (New)</collection><collection>ProQuest One Academic Middle East (New)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Applied & Life Sciences</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><jtitle>Catalysis letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Mikhailov, M. N.</au><au>Kustov, L. M.</au><au>Kazansky, V. B.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The State and Reactivity of Pt6 Particles in ZSM-5 Zeolite</atitle><jtitle>Catalysis letters</jtitle><stitle>Catal Lett</stitle><date>2008</date><risdate>2008</risdate><volume>120</volume><issue>1-2</issue><spage>8</spage><epage>13</epage><pages>8-13</pages><issn>1011-372X</issn><eissn>1572-879X</eissn><abstract>The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt
6
particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E
ads
= 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites.</abstract><cop>Boston</cop><pub>Springer US</pub><doi>10.1007/s10562-007-9245-z</doi><tpages>6</tpages></addata></record> |
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| language | eng |
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| source | Springer Nature - Complete Springer Journals |
| subjects | Alkanes Catalysis Chemistry Chemistry and Materials Science Density functional theory Electronic structure Industrial Chemistry/Chemical Engineering Isomerization Metal clusters Metal particles Organometallic Chemistry Oxidation Physical Chemistry Platinum Silicon dioxide Zeolites |
| title | The State and Reactivity of Pt6 Particles in ZSM-5 Zeolite |
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