Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces
The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements...
Gespeichert in:
| Veröffentlicht in: | Journal of catalysis 2008-04, Vol.255 (1), p.6-19 |
|---|---|
| Hauptverfasser: | , , , , , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 19 |
|---|---|
| container_issue | 1 |
| container_start_page | 6 |
| container_title | Journal of catalysis |
| container_volume | 255 |
| creator | ANDERSSON, M. P ABILD-PEDERSEN, F ROSTRUP-NIELSEN, J. R NØRSKOV, J. K CHORKENDORFF, I REMEDIAKIS, I. N BLIGAARD, T JONES, G ENGBAEK, J LYTKEN, O HORCH, S NIELSEN, J. H SEHESTED, J |
| description | The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements on supported catalysts in a study of the dissociation mechanism of CO on Ni surfaces. We found that this process is highly structure-sensitive and also is sensitive to the presence of hydrogen: Under ultra-high vacuum, with no hydrogen present, the dissociation proceeds through a direct route in which only undercoordinated sites (e.g., steps) are active. Under methanation conditions, the dissociation also proceeds most favorably over undercoordinated sites, but through a COH species. [PUBLICATION ABSTRACT] |
| doi_str_mv | 10.1016/j.jcat.2007.12.016 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_195450893</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1574235871</sourcerecordid><originalsourceid>FETCH-LOGICAL-c322t-b8b8012373e2af51f49b2481aa0d1fcb4b76b14d17a8f8e6a795888bd420b0103</originalsourceid><addsrcrecordid>eNo9UN9LwzAQDqLgnP4DPgXBx9a7tF1T32SoEwZ7UJ_DNU1Y6tbOJBX239u5IRzc8fH9OD7GbhFSBJw9tGmrKaYCoExRpCN0xiYIFSRiVuXnbAIgMKkKLC_ZVQgtAGJRyAmj9-gHHQdveDBdcNH9uLjnveVxbfjWxDV1FF3fcW9I_x2PfCES1zWDNg2fr3jjQui1O7LG6Zz-MhseBm9Jm3DNLixtgrk57Sn7fHn-mC-S5er1bf60THQmRExqWUtAkZWZEWQLtHlVi1wiETRodZ3X5azGvMGSpJVmRmVVSCnrJhdQA0I2ZXdH353vvwcTomr7wXdjpMKqyAuQVTaSxJGkfR-CN1btvNuS3ysEdWhSterQpDo0qVCoERpF9ydnCpo21lOnXfhXChAwPpplv4SFdR8</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>195450893</pqid></control><display><type>article</type><title>Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces</title><source>Elsevier ScienceDirect Journals</source><creator>ANDERSSON, M. P ; ABILD-PEDERSEN, F ; ROSTRUP-NIELSEN, J. R ; NØRSKOV, J. K ; CHORKENDORFF, I ; REMEDIAKIS, I. N ; BLIGAARD, T ; JONES, G ; ENGBAEK, J ; LYTKEN, O ; HORCH, S ; NIELSEN, J. H ; SEHESTED, J</creator><creatorcontrib>ANDERSSON, M. P ; ABILD-PEDERSEN, F ; ROSTRUP-NIELSEN, J. R ; NØRSKOV, J. K ; CHORKENDORFF, I ; REMEDIAKIS, I. N ; BLIGAARD, T ; JONES, G ; ENGBAEK, J ; LYTKEN, O ; HORCH, S ; NIELSEN, J. H ; SEHESTED, J</creatorcontrib><description>The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements on supported catalysts in a study of the dissociation mechanism of CO on Ni surfaces. We found that this process is highly structure-sensitive and also is sensitive to the presence of hydrogen: Under ultra-high vacuum, with no hydrogen present, the dissociation proceeds through a direct route in which only undercoordinated sites (e.g., steps) are active. Under methanation conditions, the dissociation also proceeds most favorably over undercoordinated sites, but through a COH species. [PUBLICATION ABSTRACT]</description><identifier>ISSN: 0021-9517</identifier><identifier>EISSN: 1090-2694</identifier><identifier>DOI: 10.1016/j.jcat.2007.12.016</identifier><identifier>CODEN: JCTLA5</identifier><language>eng</language><publisher>Amsterdam: Elsevier</publisher><subject>Carbon monoxide ; Catalysis ; Catalysts ; Chemical reactions ; Chemistry ; Crystallography ; Exact sciences and technology ; General and physical chemistry ; Theory ; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</subject><ispartof>Journal of catalysis, 2008-04, Vol.255 (1), p.6-19</ispartof><rights>2008 INIST-CNRS</rights><rights>Copyright © 2008 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c322t-b8b8012373e2af51f49b2481aa0d1fcb4b76b14d17a8f8e6a795888bd420b0103</citedby><cites>FETCH-LOGICAL-c322t-b8b8012373e2af51f49b2481aa0d1fcb4b76b14d17a8f8e6a795888bd420b0103</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=20204813$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>ANDERSSON, M. P</creatorcontrib><creatorcontrib>ABILD-PEDERSEN, F</creatorcontrib><creatorcontrib>ROSTRUP-NIELSEN, J. R</creatorcontrib><creatorcontrib>NØRSKOV, J. K</creatorcontrib><creatorcontrib>CHORKENDORFF, I</creatorcontrib><creatorcontrib>REMEDIAKIS, I. N</creatorcontrib><creatorcontrib>BLIGAARD, T</creatorcontrib><creatorcontrib>JONES, G</creatorcontrib><creatorcontrib>ENGBAEK, J</creatorcontrib><creatorcontrib>LYTKEN, O</creatorcontrib><creatorcontrib>HORCH, S</creatorcontrib><creatorcontrib>NIELSEN, J. H</creatorcontrib><creatorcontrib>SEHESTED, J</creatorcontrib><title>Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces</title><title>Journal of catalysis</title><description>The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements on supported catalysts in a study of the dissociation mechanism of CO on Ni surfaces. We found that this process is highly structure-sensitive and also is sensitive to the presence of hydrogen: Under ultra-high vacuum, with no hydrogen present, the dissociation proceeds through a direct route in which only undercoordinated sites (e.g., steps) are active. Under methanation conditions, the dissociation also proceeds most favorably over undercoordinated sites, but through a COH species. [PUBLICATION ABSTRACT]</description><subject>Carbon monoxide</subject><subject>Catalysis</subject><subject>Catalysts</subject><subject>Chemical reactions</subject><subject>Chemistry</subject><subject>Crystallography</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Theory</subject><subject>Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</subject><issn>0021-9517</issn><issn>1090-2694</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><recordid>eNo9UN9LwzAQDqLgnP4DPgXBx9a7tF1T32SoEwZ7UJ_DNU1Y6tbOJBX239u5IRzc8fH9OD7GbhFSBJw9tGmrKaYCoExRpCN0xiYIFSRiVuXnbAIgMKkKLC_ZVQgtAGJRyAmj9-gHHQdveDBdcNH9uLjnveVxbfjWxDV1FF3fcW9I_x2PfCES1zWDNg2fr3jjQui1O7LG6Zz-MhseBm9Jm3DNLixtgrk57Sn7fHn-mC-S5er1bf60THQmRExqWUtAkZWZEWQLtHlVi1wiETRodZ3X5azGvMGSpJVmRmVVSCnrJhdQA0I2ZXdH353vvwcTomr7wXdjpMKqyAuQVTaSxJGkfR-CN1btvNuS3ysEdWhSterQpDo0qVCoERpF9ydnCpo21lOnXfhXChAwPpplv4SFdR8</recordid><startdate>20080401</startdate><enddate>20080401</enddate><creator>ANDERSSON, M. P</creator><creator>ABILD-PEDERSEN, F</creator><creator>ROSTRUP-NIELSEN, J. R</creator><creator>NØRSKOV, J. K</creator><creator>CHORKENDORFF, I</creator><creator>REMEDIAKIS, I. N</creator><creator>BLIGAARD, T</creator><creator>JONES, G</creator><creator>ENGBAEK, J</creator><creator>LYTKEN, O</creator><creator>HORCH, S</creator><creator>NIELSEN, J. H</creator><creator>SEHESTED, J</creator><general>Elsevier</general><general>Elsevier BV</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20080401</creationdate><title>Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces</title><author>ANDERSSON, M. P ; ABILD-PEDERSEN, F ; ROSTRUP-NIELSEN, J. R ; NØRSKOV, J. K ; CHORKENDORFF, I ; REMEDIAKIS, I. N ; BLIGAARD, T ; JONES, G ; ENGBAEK, J ; LYTKEN, O ; HORCH, S ; NIELSEN, J. H ; SEHESTED, J</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c322t-b8b8012373e2af51f49b2481aa0d1fcb4b76b14d17a8f8e6a795888bd420b0103</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Carbon monoxide</topic><topic>Catalysis</topic><topic>Catalysts</topic><topic>Chemical reactions</topic><topic>Chemistry</topic><topic>Crystallography</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Theory</topic><topic>Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>ANDERSSON, M. P</creatorcontrib><creatorcontrib>ABILD-PEDERSEN, F</creatorcontrib><creatorcontrib>ROSTRUP-NIELSEN, J. R</creatorcontrib><creatorcontrib>NØRSKOV, J. K</creatorcontrib><creatorcontrib>CHORKENDORFF, I</creatorcontrib><creatorcontrib>REMEDIAKIS, I. N</creatorcontrib><creatorcontrib>BLIGAARD, T</creatorcontrib><creatorcontrib>JONES, G</creatorcontrib><creatorcontrib>ENGBAEK, J</creatorcontrib><creatorcontrib>LYTKEN, O</creatorcontrib><creatorcontrib>HORCH, S</creatorcontrib><creatorcontrib>NIELSEN, J. H</creatorcontrib><creatorcontrib>SEHESTED, J</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Journal of catalysis</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>ANDERSSON, M. P</au><au>ABILD-PEDERSEN, F</au><au>ROSTRUP-NIELSEN, J. R</au><au>NØRSKOV, J. K</au><au>CHORKENDORFF, I</au><au>REMEDIAKIS, I. N</au><au>BLIGAARD, T</au><au>JONES, G</au><au>ENGBAEK, J</au><au>LYTKEN, O</au><au>HORCH, S</au><au>NIELSEN, J. H</au><au>SEHESTED, J</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces</atitle><jtitle>Journal of catalysis</jtitle><date>2008-04-01</date><risdate>2008</risdate><volume>255</volume><issue>1</issue><spage>6</spage><epage>19</epage><pages>6-19</pages><issn>0021-9517</issn><eissn>1090-2694</eissn><coden>JCTLA5</coden><abstract>The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements on supported catalysts in a study of the dissociation mechanism of CO on Ni surfaces. We found that this process is highly structure-sensitive and also is sensitive to the presence of hydrogen: Under ultra-high vacuum, with no hydrogen present, the dissociation proceeds through a direct route in which only undercoordinated sites (e.g., steps) are active. Under methanation conditions, the dissociation also proceeds most favorably over undercoordinated sites, but through a COH species. [PUBLICATION ABSTRACT]</abstract><cop>Amsterdam</cop><pub>Elsevier</pub><doi>10.1016/j.jcat.2007.12.016</doi><tpages>14</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0021-9517 |
| ispartof | Journal of catalysis, 2008-04, Vol.255 (1), p.6-19 |
| issn | 0021-9517 1090-2694 |
| language | eng |
| recordid | cdi_proquest_journals_195450893 |
| source | Elsevier ScienceDirect Journals |
| subjects | Carbon monoxide Catalysis Catalysts Chemical reactions Chemistry Crystallography Exact sciences and technology General and physical chemistry Theory Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry |
| title | Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-05T14%3A33%3A56IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Structure%20sensitivity%20of%20the%20methanation%20reaction%20:%20H2-induced%20CO%20dissociation%20on%20nickel%20surfaces&rft.jtitle=Journal%20of%20catalysis&rft.au=ANDERSSON,%20M.%20P&rft.date=2008-04-01&rft.volume=255&rft.issue=1&rft.spage=6&rft.epage=19&rft.pages=6-19&rft.issn=0021-9517&rft.eissn=1090-2694&rft.coden=JCTLA5&rft_id=info:doi/10.1016/j.jcat.2007.12.016&rft_dat=%3Cproquest_cross%3E1574235871%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=195450893&rft_id=info:pmid/&rfr_iscdi=true |