FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2019162591> ?p ?o ?g. }

• W2019162591 endingPage "226004" @default.
• W2019162591 startingPage "226004" @default.
• W2019162591 abstract "The adsorption of oxygen atoms on the Ti(0001) surface is investigated by the use of ab initio total-energy density-functional methods within the generalized gradient approximation. Two kinds of supercell model (a single-layer and a multiple-layer adsorption model) are designed to study the preference of occupation sites for oxygen atoms. In the single-layer adsorption model, the oxygen adatoms are restricted in the same adsorption layer. In the multiple-layer adsorption model, the adsorbed oxygen atoms occupy sites in different adsorption layers at the same time. Our calculated results show that the surface face-centred cubic (SFCC) sites are the most favourable sites for oxygen atoms to occupy when the oxygen coverage is 0.25 monolayer (ML); however, the system with one oxygen adatom occupying the SFCC sites and the other one occupying the octahedral sites between second and third Ti layers (Octa(2, 3)) is the most stable configuration when the oxygen coverage is 0.50 ML. As the oxygen coverage is increased to 1.0 ML, each of the oxygen atoms prefers occupying the SFCC and octahedral sites such as Octa(2, 3), Octa(4, 5) and Octa(6, 7) in the alternate layers, respectively. It can be found that there are strong repulsive interactions between the adsorbed oxygen atoms when they occupy adjacent interstitial sites. Our calculated results of the work functions and the total density of states with the multiple-layer adsorption model are in good agreement with experimental results of work function change and ultraviolet photoelectron spectroscopy. It should be noticed that the multiple-layer adsorption model must be taken into account for oxygen adsorption on the Ti(0001) surface." @default.
• W2019162591 created "2016-06-24" @default.
• W2019162591 creator A5001836509 @default.
• W2019162591 creator A5002505853 @default.
• W2019162591 creator A5028866767 @default.
• W2019162591 creator A5088529018 @default.
• W2019162591 date "2007-05-08" @default.
• W2019162591 modified "2023-10-17" @default.
• W2019162591 title "<i>Ab initio</i>study of oxygen adsorption on the Ti(0001) surface" @default.
• W2019162591 cites W1676101252 @default.
• W2019162591 cites W1967284853 @default.
• W2019162591 cites W1968426044 @default.
• W2019162591 cites W1970127494 @default.
• W2019162591 cites W1971203198 @default.
• W2019162591 cites W1975781540 @default.
• W2019162591 cites W1979611721 @default.
• W2019162591 cites W1988024924 @default.
• W2019162591 cites W1988636076 @default.
• W2019162591 cites W1990692644 @default.
• W2019162591 cites W2007395042 @default.
• W2019162591 cites W2015839040 @default.
• W2019162591 cites W2030448979 @default.
• W2019162591 cites W2030976617 @default.
• W2019162591 cites W2036113194 @default.
• W2019162591 cites W2054455613 @default.
• W2019162591 cites W2065430451 @default.
• W2019162591 cites W2073707676 @default.
• W2019162591 cites W2075936215 @default.
• W2019162591 cites W2079154183 @default.
• W2019162591 cites W2083222334 @default.
• W2019162591 cites W2091135029 @default.
• W2019162591 cites W2151800339 @default.
• W2019162591 cites W2230728100 @default.
• W2019162591 cites W2397627563 @default.
• W2019162591 cites W3041637644 @default.
• W2019162591 cites W3206606417 @default.
• W2019162591 doi "https://doi.org/10.1088/0953-8984/19/22/226004" @default.
• W2019162591 hasPublicationYear "2007" @default.
• W2019162591 type Work @default.
• W2019162591 sameAs 2019162591 @default.
• W2019162591 citedByCount "18" @default.
• W2019162591 countsByYear W20191625912012 @default.
• W2019162591 countsByYear W20191625912015 @default.
• W2019162591 countsByYear W20191625912016 @default.
• W2019162591 countsByYear W20191625912017 @default.
• W2019162591 countsByYear W20191625912018 @default.
• W2019162591 countsByYear W20191625912021 @default.
• W2019162591 countsByYear W20191625912022 @default.
• W2019162591 crossrefType "journal-article" @default.
• W2019162591 hasAuthorship W2019162591A5001836509 @default.
• W2019162591 hasAuthorship W2019162591A5002505853 @default.
• W2019162591 hasAuthorship W2019162591A5028866767 @default.
• W2019162591 hasAuthorship W2019162591A5088529018 @default.
• W2019162591 hasConcept C113196181 @default.
• W2019162591 hasConcept C115235246 @default.
• W2019162591 hasConcept C115624301 @default.
• W2019162591 hasConcept C121332964 @default.
• W2019162591 hasConcept C147597530 @default.
• W2019162591 hasConcept C147789679 @default.
• W2019162591 hasConcept C150394285 @default.
• W2019162591 hasConcept C152365726 @default.
• W2019162591 hasConcept C17525397 @default.
• W2019162591 hasConcept C175708663 @default.
• W2019162591 hasConcept C178790620 @default.
• W2019162591 hasConcept C183971685 @default.
• W2019162591 hasConcept C185592680 @default.
• W2019162591 hasConcept C198819137 @default.
• W2019162591 hasConcept C2781442258 @default.
• W2019162591 hasConcept C32909587 @default.
• W2019162591 hasConcept C46141821 @default.
• W2019162591 hasConcept C540031477 @default.
• W2019162591 hasConcept C55493867 @default.
• W2019162591 hasConcept C7070889 @default.
• W2019162591 hasConcept C8010536 @default.
• W2019162591 hasConceptScore W2019162591C113196181 @default.
• W2019162591 hasConceptScore W2019162591C115235246 @default.
• W2019162591 hasConceptScore W2019162591C115624301 @default.
• W2019162591 hasConceptScore W2019162591C121332964 @default.
• W2019162591 hasConceptScore W2019162591C147597530 @default.
• W2019162591 hasConceptScore W2019162591C147789679 @default.
• W2019162591 hasConceptScore W2019162591C150394285 @default.
• W2019162591 hasConceptScore W2019162591C152365726 @default.
• W2019162591 hasConceptScore W2019162591C17525397 @default.
• W2019162591 hasConceptScore W2019162591C175708663 @default.
• W2019162591 hasConceptScore W2019162591C178790620 @default.
• W2019162591 hasConceptScore W2019162591C183971685 @default.
• W2019162591 hasConceptScore W2019162591C185592680 @default.
• W2019162591 hasConceptScore W2019162591C198819137 @default.
• W2019162591 hasConceptScore W2019162591C2781442258 @default.
• W2019162591 hasConceptScore W2019162591C32909587 @default.
• W2019162591 hasConceptScore W2019162591C46141821 @default.
• W2019162591 hasConceptScore W2019162591C540031477 @default.
• W2019162591 hasConceptScore W2019162591C55493867 @default.
• W2019162591 hasConceptScore W2019162591C7070889 @default.
• W2019162591 hasConceptScore W2019162591C8010536 @default.
• W2019162591 hasIssue "22" @default.
• W2019162591 hasLocation W20191625911 @default.
• W2019162591 hasOpenAccess W2019162591 @default.

• next