Potential energy surfaces for gas-surface reactions
Identifieur interne : 006814 ( Main/Exploration ); précédent : 006813; suivant : 006815Potential energy surfaces for gas-surface reactions
Auteurs : Terry J. Frankcombe [Australie] ; Michael A. Collins [Australie]Source :
- PCCP. Physical chemistry chemical physics : (Print) [ 1463-9076 ] ; 2011.
Descripteurs français
- Pascal (Inist)
- Wicri :
- topic : Hydrogène.
English descriptors
- KwdEn :
Abstract
A method for constructing the potential energy surface for reactions of a molecule with the surface of cleaved non-conducting crystals is reported. The method uses systematic fragmentation to express the total potential in terms of potential energy surfaces which describe reactions of relatively small molecules in the gas phase. The approach is illustrated by an application to the reaction of hydrogen atoms with a hydrogen-terminated silicon(111) surface.
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream PascalFrancis, to step Corpus: 001B90
- to stream PascalFrancis, to step Curation: 004354
- to stream PascalFrancis, to step Checkpoint: 001773
- to stream Main, to step Merge: 006C24
- to stream Main, to step Curation: 006814
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Potential energy surfaces for gas-surface reactions</title>
<author><name sortKey="Frankcombe, Terry J" sort="Frankcombe, Terry J" uniqKey="Frankcombe T" first="Terry J." last="Frankcombe">Terry J. Frankcombe</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Research School of Chemistry, Australian National University</s1>
<s2>ACT 0200</s2>
<s3>AUS</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Australie</country>
<wicri:noRegion>ACT 0200</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Collins, Michael A" sort="Collins, Michael A" uniqKey="Collins M" first="Michael A." last="Collins">Michael A. Collins</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Research School of Chemistry, Australian National University</s1>
<s2>ACT 0200</s2>
<s3>AUS</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Australie</country>
<wicri:noRegion>ACT 0200</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">INIST</idno>
<idno type="inist">11-0291053</idno>
<date when="2011">2011</date>
<idno type="stanalyst">PASCAL 11-0291053 INIST</idno>
<idno type="RBID">Pascal:11-0291053</idno>
<idno type="wicri:Area/PascalFrancis/Corpus">001B90</idno>
<idno type="wicri:Area/PascalFrancis/Curation">004354</idno>
<idno type="wicri:Area/PascalFrancis/Checkpoint">001773</idno>
<idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">001773</idno>
<idno type="wicri:doubleKey">1463-9076:2011:Frankcombe T:potential:energy:surfaces</idno>
<idno type="wicri:Area/Main/Merge">006C24</idno>
<idno type="wicri:Area/Main/Curation">006814</idno>
<idno type="wicri:Area/Main/Exploration">006814</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Potential energy surfaces for gas-surface reactions</title>
<author><name sortKey="Frankcombe, Terry J" sort="Frankcombe, Terry J" uniqKey="Frankcombe T" first="Terry J." last="Frankcombe">Terry J. Frankcombe</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Research School of Chemistry, Australian National University</s1>
<s2>ACT 0200</s2>
<s3>AUS</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Australie</country>
<wicri:noRegion>ACT 0200</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Collins, Michael A" sort="Collins, Michael A" uniqKey="Collins M" first="Michael A." last="Collins">Michael A. Collins</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Research School of Chemistry, Australian National University</s1>
<s2>ACT 0200</s2>
<s3>AUS</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Australie</country>
<wicri:noRegion>ACT 0200</wicri:noRegion>
</affiliation>
</author>
</analytic>
<series><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title>
<title level="j" type="abbreviated">PCCP, Phys. chem. chem. phys. : (Print)</title>
<idno type="ISSN">1463-9076</idno>
<imprint><date when="2011">2011</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
<seriesStmt><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title>
<title level="j" type="abbreviated">PCCP, Phys. chem. chem. phys. : (Print)</title>
<idno type="ISSN">1463-9076</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Crystals</term>
<term>Fragmentation</term>
<term>Gas phase</term>
<term>Hydrogen</term>
<term>Potential</term>
<term>Potential energy surfaces</term>
<term>Silicon</term>
<term>Surface reaction</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Surface énergie potentielle</term>
<term>Réaction surface</term>
<term>Cristal</term>
<term>Fragmentation</term>
<term>Potentiel</term>
<term>Phase gazeuse</term>
<term>Hydrogène</term>
<term>Silicium</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Hydrogène</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">A method for constructing the potential energy surface for reactions of a molecule with the surface of cleaved non-conducting crystals is reported. The method uses systematic fragmentation to express the total potential in terms of potential energy surfaces which describe reactions of relatively small molecules in the gas phase. The approach is illustrated by an application to the reaction of hydrogen atoms with a hydrogen-terminated silicon(111) surface.</div>
</front>
</TEI>
<affiliations><list><country><li>Australie</li>
</country>
</list>
<tree><country name="Australie"><noRegion><name sortKey="Frankcombe, Terry J" sort="Frankcombe, Terry J" uniqKey="Frankcombe T" first="Terry J." last="Frankcombe">Terry J. Frankcombe</name>
</noRegion>
<name sortKey="Collins, Michael A" sort="Collins, Michael A" uniqKey="Collins M" first="Michael A." last="Collins">Michael A. Collins</name>
</country>
</tree>
</affiliations>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Asie/explor/AustralieFrV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 006814 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 006814 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Wicri/Asie |area= AustralieFrV1 |flux= Main |étape= Exploration |type= RBID |clé= Pascal:11-0291053 |texte= Potential energy surfaces for gas-surface reactions }}
This area was generated with Dilib version V0.6.33. |