Small pd clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface
Density functional theory calculations predict that small clusters of Pd atoms, containing up to at least four atoms, are highly mobile on the MgO(100) surface with the tetramer having the largest diffusion rate at room temperature--larger than the monomer. Surface vacancies are found, however, to b...
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| Veröffentlicht in: | Physical review letters 2005-09, Vol.95 (14), p.146103.1-146103.4, Article 146103 |
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| container_end_page | 146103.4 |
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| container_issue | 14 |
| container_start_page | 146103.1 |
| container_title | Physical review letters |
| container_volume | 95 |
| creator | LIJUN XU HENKELMAN, Graeme CAMPBELL, Charles T JONSSON, Hannes |
| description | Density functional theory calculations predict that small clusters of Pd atoms, containing up to at least four atoms, are highly mobile on the MgO(100) surface with the tetramer having the largest diffusion rate at room temperature--larger than the monomer. Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. These are important considerations when analyzing the growth and sintering of metal islands on oxide surfaces, in particular, the role of point defects. |
| doi_str_mv | 10.1103/physrevlett.95.146103 |
| format | Article |
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Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. 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Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. These are important considerations when analyzing the growth and sintering of metal islands on oxide surfaces, in particular, the role of point defects.</description><subject>ATOMIC CLUSTERS</subject><subject>Composition; defects and impurities</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>DENSITY FUNCTIONAL METHOD</subject><subject>Environmental Molecular Sciences Laboratory</subject><subject>Exact sciences and technology</subject><subject>MAGNESIUM OXIDES</subject><subject>MASS TRANSFER</subject><subject>MATERIALS SCIENCE</subject><subject>PALLADIUM</subject><subject>Physics</subject><subject>POINT DEFECTS</subject><subject>SINTERING</subject><subject>Solid surfaces and solid-solid interfaces</subject><subject>SORPTIVE PROPERTIES</subject><subject>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</subject><subject>VACANCIES</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2005</creationdate><recordtype>article</recordtype><recordid>eNpF0F1rFDEUgOEgFrtWf4ISLxQLnTUnk2Q2l1JaW1ip-HHhVchmTjojmY8mmcL-e6O70KvA4Tkn8BLyBtgagNWf5m6fIj4GzHmt5RqEKtNnZAWs0VUDIJ6TFWM1VJqx5pS8TOkPYwy42rwgp6C4ANXwFfn9Y7Ah0LmlLiwpY0wXdJlpnmjukGbM0Q4Yqc00oE35gtqItOvvu7Cnw7TrA9Jp_G-_3t99BMbOaVqitw5fkRNvQ8LXx_eM_Lq--nl5U23vvtxeft5WTnCdqxZbr6xqpZJeeOUFaAeyjATnklnpnUCw0mKr9AaBbWqnpWh3La-ZBGjqM_LucHdKuTfJ9Rld56ZxRJeNhkZqWcyHg5nj9LBgymbok8MQ7IjTkozaNBwkgwLlAbo4pdLXmzn2g417A8z8626-le7f8XFbuhstzaF72Xt7_GDZDdg-bR1DF_D-CGxyNvhoR9enJ9dwJrUW9V8CU4zp</recordid><startdate>20050930</startdate><enddate>20050930</enddate><creator>LIJUN XU</creator><creator>HENKELMAN, Graeme</creator><creator>CAMPBELL, Charles T</creator><creator>JONSSON, Hannes</creator><general>American Physical Society</general><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>20050930</creationdate><title>Small pd clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface</title><author>LIJUN XU ; HENKELMAN, Graeme ; CAMPBELL, Charles T ; JONSSON, Hannes</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c429t-dedf6a6d565f4f6f419c15f6a42250a5fc4e1a5aed698e1083c954dbd23051173</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2005</creationdate><topic>ATOMIC CLUSTERS</topic><topic>Composition; defects and impurities</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>DENSITY FUNCTIONAL METHOD</topic><topic>Environmental Molecular Sciences Laboratory</topic><topic>Exact sciences and technology</topic><topic>MAGNESIUM OXIDES</topic><topic>MASS TRANSFER</topic><topic>MATERIALS SCIENCE</topic><topic>PALLADIUM</topic><topic>Physics</topic><topic>POINT DEFECTS</topic><topic>SINTERING</topic><topic>Solid surfaces and solid-solid interfaces</topic><topic>SORPTIVE PROPERTIES</topic><topic>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</topic><topic>VACANCIES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>LIJUN XU</creatorcontrib><creatorcontrib>HENKELMAN, Graeme</creatorcontrib><creatorcontrib>CAMPBELL, Charles T</creatorcontrib><creatorcontrib>JONSSON, Hannes</creatorcontrib><creatorcontrib>Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>LIJUN XU</au><au>HENKELMAN, Graeme</au><au>CAMPBELL, Charles T</au><au>JONSSON, Hannes</au><aucorp>Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Small pd clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface</atitle><jtitle>Physical review letters</jtitle><addtitle>Phys Rev Lett</addtitle><date>2005-09-30</date><risdate>2005</risdate><volume>95</volume><issue>14</issue><spage>146103.1</spage><epage>146103.4</epage><pages>146103.1-146103.4</pages><artnum>146103</artnum><issn>0031-9007</issn><eissn>1079-7114</eissn><coden>PRLTAO</coden><abstract>Density functional theory calculations predict that small clusters of Pd atoms, containing up to at least four atoms, are highly mobile on the MgO(100) surface with the tetramer having the largest diffusion rate at room temperature--larger than the monomer. Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. These are important considerations when analyzing the growth and sintering of metal islands on oxide surfaces, in particular, the role of point defects.</abstract><cop>Ridge, NY</cop><pub>American Physical Society</pub><pmid>16241672</pmid><doi>10.1103/physrevlett.95.146103</doi><tpages>1</tpages></addata></record> |
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| ispartof | Physical review letters, 2005-09, Vol.95 (14), p.146103.1-146103.4, Article 146103 |
| issn | 0031-9007 1079-7114 |
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| source | American Physical Society Journals |
| subjects | ATOMIC CLUSTERS Composition defects and impurities Condensed matter: structure, mechanical and thermal properties DENSITY FUNCTIONAL METHOD Environmental Molecular Sciences Laboratory Exact sciences and technology MAGNESIUM OXIDES MASS TRANSFER MATERIALS SCIENCE PALLADIUM Physics POINT DEFECTS SINTERING Solid surfaces and solid-solid interfaces SORPTIVE PROPERTIES Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) VACANCIES |
| title | Small pd clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface |
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