H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study

The adsorption of water on the polar Cu2O(100) surface has been studied theoretically. Both molecular and dissociative adsorption are studied. Dissociative adsorption is found to be energetically favorable, and good qualitative agreement is achieved between experimental and simulated UPS spectra for...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Journal of physical chemistry (1952) 1996-02, Vol.100 (5), p.1874-1878
Hauptverfasser:	Nygren, Martin A, Pettersson, Lars G. M
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

container_end_page	1878
container_issue	5
container_start_page	1874
container_title	Journal of physical chemistry (1952)
container_volume	100
creator	Nygren, Martin A Pettersson, Lars G. M
description	The adsorption of water on the polar Cu2O(100) surface has been studied theoretically. Both molecular and dissociative adsorption are studied. Dissociative adsorption is found to be energetically favorable, and good qualitative agreement is achieved between experimental and simulated UPS spectra for low coverages. The simulated spectrum allows for an assignment of the peaks in the experimental spectra. For higher coverages the model used is found to be insufficient; we believe the main reason for this is adsorbate-induced reconstruction of the surface.
doi_str_mv	10.1021/jp9524183
format	Article
fullrecord	<record><control><sourceid>istex_acs_j</sourceid><recordid>TN_cdi_istex_primary_ark_67375_TPS_Q8HRBL5D_M</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>ark_67375_TPS_Q8HRBL5D_M</sourcerecordid><originalsourceid>FETCH-LOGICAL-a221t-acc0fa807dd40efcb17000524f69be50f8c4c909ed403fc6095afb9430ade04d3</originalsourceid><addsrcrecordid>eNo9kLtOwzAYhS0EEqUw8AZekGAI_L7lwlbCJZWKWmiZrb-OraaUpnIcQTdWXpMnIaiI6Qzn6OjTR8gpg0sGnF0tN5nikqVij_SYkixSiYR90gPgPBKxkofkqGmWAMCEYD1SFHxMh-tgPZpQ1Wv6XoUFDQtLJ_UKPc1bPj5nABd02nqHxl5_f37RAZ0tbO1tqAyu6DS05faYHDhcNfbkL_vk5f5ulhfRaPwwzAejCDlnIUJjwGEKSVlKsM7MWdKxdMguzuZWgUuNNBlktquFMzFkCt08kwKwtCBL0SfR7rdqgv3QG1-9od9q9K86TkSi9Gwy1U9p8XwzUrf6sduf7fZoGr2sW7_u6DQD_atL_-sSP7XNWsc</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study</title><source>American Chemical Society</source><creator>Nygren, Martin A ; Pettersson, Lars G. M</creator><creatorcontrib>Nygren, Martin A ; Pettersson, Lars G. M</creatorcontrib><description>The adsorption of water on the polar Cu2O(100) surface has been studied theoretically. Both molecular and dissociative adsorption are studied. Dissociative adsorption is found to be energetically favorable, and good qualitative agreement is achieved between experimental and simulated UPS spectra for low coverages. The simulated spectrum allows for an assignment of the peaks in the experimental spectra. For higher coverages the model used is found to be insufficient; we believe the main reason for this is adsorbate-induced reconstruction of the surface.</description><identifier>ISSN: 0022-3654</identifier><identifier>EISSN: 1541-5740</identifier><identifier>DOI: 10.1021/jp9524183</identifier><language>eng</language><publisher>American Chemical Society</publisher><ispartof>Journal of physical chemistry (1952), 1996-02, Vol.100 (5), p.1874-1878</ispartof><rights>Copyright © 1996 American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/jp9524183$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/jp9524183$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,780,784,27076,27924,27925,56738,56788</link.rule.ids></links><search><creatorcontrib>Nygren, Martin A</creatorcontrib><creatorcontrib>Pettersson, Lars G. M</creatorcontrib><title>H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study</title><title>Journal of physical chemistry (1952)</title><addtitle>J. Phys. Chem</addtitle><description>The adsorption of water on the polar Cu2O(100) surface has been studied theoretically. Both molecular and dissociative adsorption are studied. Dissociative adsorption is found to be energetically favorable, and good qualitative agreement is achieved between experimental and simulated UPS spectra for low coverages. The simulated spectrum allows for an assignment of the peaks in the experimental spectra. For higher coverages the model used is found to be insufficient; we believe the main reason for this is adsorbate-induced reconstruction of the surface.</description><issn>0022-3654</issn><issn>1541-5740</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><recordid>eNo9kLtOwzAYhS0EEqUw8AZekGAI_L7lwlbCJZWKWmiZrb-OraaUpnIcQTdWXpMnIaiI6Qzn6OjTR8gpg0sGnF0tN5nikqVij_SYkixSiYR90gPgPBKxkofkqGmWAMCEYD1SFHxMh-tgPZpQ1Wv6XoUFDQtLJ_UKPc1bPj5nABd02nqHxl5_f37RAZ0tbO1tqAyu6DS05faYHDhcNfbkL_vk5f5ulhfRaPwwzAejCDlnIUJjwGEKSVlKsM7MWdKxdMguzuZWgUuNNBlktquFMzFkCt08kwKwtCBL0SfR7rdqgv3QG1-9od9q9K86TkSi9Gwy1U9p8XwzUrf6sduf7fZoGr2sW7_u6DQD_atL_-sSP7XNWsc</recordid><startdate>19960201</startdate><enddate>19960201</enddate><creator>Nygren, Martin A</creator><creator>Pettersson, Lars G. M</creator><general>American Chemical Society</general><scope>BSCLL</scope></search><sort><creationdate>19960201</creationdate><title>H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study</title><author>Nygren, Martin A ; Pettersson, Lars G. M</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a221t-acc0fa807dd40efcb17000524f69be50f8c4c909ed403fc6095afb9430ade04d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Nygren, Martin A</creatorcontrib><creatorcontrib>Pettersson, Lars G. M</creatorcontrib><collection>Istex</collection><jtitle>Journal of physical chemistry (1952)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Nygren, Martin A</au><au>Pettersson, Lars G. M</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study</atitle><jtitle>Journal of physical chemistry (1952)</jtitle><addtitle>J. Phys. Chem</addtitle><date>1996-02-01</date><risdate>1996</risdate><volume>100</volume><issue>5</issue><spage>1874</spage><epage>1878</epage><pages>1874-1878</pages><issn>0022-3654</issn><eissn>1541-5740</eissn><abstract>The adsorption of water on the polar Cu2O(100) surface has been studied theoretically. Both molecular and dissociative adsorption are studied. Dissociative adsorption is found to be energetically favorable, and good qualitative agreement is achieved between experimental and simulated UPS spectra for low coverages. The simulated spectrum allows for an assignment of the peaks in the experimental spectra. For higher coverages the model used is found to be insufficient; we believe the main reason for this is adsorbate-induced reconstruction of the surface.</abstract><pub>American Chemical Society</pub><doi>10.1021/jp9524183</doi><tpages>5</tpages></addata></record>
fulltext	fulltext
identifier	ISSN: 0022-3654
ispartof	Journal of physical chemistry (1952), 1996-02, Vol.100 (5), p.1874-1878
issn	0022-3654 1541-5740
language	eng
recordid	cdi_istex_primary_ark_67375_TPS_Q8HRBL5D_M
source	American Chemical Society
title	H2O Interaction with the Polar Cu2O(100) Surface: A Theoretical Study
url	https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-28T10%3A45%3A42IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-istex_acs_j&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=H2O%20Interaction%20with%20the%20Polar%20Cu2O(100)%20Surface:%E2%80%89%20A%20Theoretical%20Study&rft.jtitle=Journal%20of%20physical%20chemistry%20(1952)&rft.au=Nygren,%20Martin%20A&rft.date=1996-02-01&rft.volume=100&rft.issue=5&rft.spage=1874&rft.epage=1878&rft.pages=1874-1878&rft.issn=0022-3654&rft.eissn=1541-5740&rft_id=info:doi/10.1021/jp9524183&rft_dat=%3Cistex_acs_j%3Eark_67375_TPS_Q8HRBL5D_M%3C/istex_acs_j%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true