FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2059322929> ?p ?o ?g. }

• W2059322929 endingPage "71" @default.
• W2059322929 startingPage "62" @default.
• W2059322929 abstract "Density functional theory (DFT)-based methods are used to understand atomic level interactions and calculate adhesion energies of the Cu2O(111)/ZnO101¯0 interface with varying Cu2O coating thickness. We first establish an accurate model of the ZnO substrate, validating DFT + U against the more accurate hybrid-DFT to calculate properties of bulk wurtzite ZnO and the ZnO101¯0 surface. DFT + U is then used to analyze the structure of the Cu2O(111) surface, characterizing the formation of surface copper dimers. The Cu2O(111)/ZnO101¯0 interface is found to be only weakly interacting, with a DFT + U–derived adhesion energy of 0.85 ± 0.07 J/m2. Charge density analysis reveals that some interface stabilization occurs because of local ZnO and CuO bonding interactions at the interface. We find that the overall impact of the ZnO substrate on the electronic structure of the Cu2O overlayer is to reduce the Cu2O band gap." @default.
• W2059322929 created "2016-06-24" @default.
• W2059322929 creator A5085960922 @default.
• W2059322929 creator A5090200106 @default.
• W2059322929 date "2013-12-01" @default.
• W2059322929 modified "2023-10-04" @default.
• W2059322929 title "First principles study of bonding, adhesion, and electronic structure at the Cu2O(111)/ZnO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si10.gif overflow=scroll><mml:mfenced open=( close=)><mml:mrow><mml:mn>10</mml:mn><mml:mover accent=true><mml:mn>1</mml:mn><mml:mo stretchy=true>¯</mml:mo></mml:mover><mml:mn>0</mml:mn></mml:mrow></mml:mfenced></mml:math> interface" @default.
• W2059322929 cites W1963584577 @default.
• W2059322929 cites W1965535725 @default.
• W2059322929 cites W1966156734 @default.
• W2059322929 cites W1970127494 @default.
• W2059322929 cites W1970615656 @default.
• W2059322929 cites W1979544533 @default.
• W2059322929 cites W1981368803 @default.
• W2059322929 cites W1986731219 @default.
• W2059322929 cites W1988762313 @default.
• W2059322929 cites W1990380714 @default.
• W2059322929 cites W1994025417 @default.
• W2059322929 cites W1994880295 @default.
• W2059322929 cites W2000767640 @default.
• W2059322929 cites W2002484561 @default.
• W2059322929 cites W2004675634 @default.
• W2059322929 cites W2016712647 @default.
• W2059322929 cites W2018774996 @default.
• W2059322929 cites W2019709950 @default.
• W2059322929 cites W2020048898 @default.
• W2059322929 cites W2026293635 @default.
• W2059322929 cites W2028564376 @default.
• W2059322929 cites W2031382128 @default.
• W2059322929 cites W2032515133 @default.
• W2059322929 cites W2032719166 @default.
• W2059322929 cites W2032749248 @default.
• W2059322929 cites W2033562674 @default.
• W2059322929 cites W2035582351 @default.
• W2059322929 cites W2036250205 @default.
• W2059322929 cites W2038425549 @default.
• W2059322929 cites W2038533471 @default.
• W2059322929 cites W2049079467 @default.
• W2059322929 cites W2052637367 @default.
• W2059322929 cites W2054704030 @default.
• W2059322929 cites W2060097960 @default.
• W2059322929 cites W2061524701 @default.
• W2059322929 cites W2069294881 @default.
• W2059322929 cites W2070373062 @default.
• W2059322929 cites W2070502119 @default.
• W2059322929 cites W2070701526 @default.
• W2059322929 cites W2071959697 @default.
• W2059322929 cites W2071965345 @default.
• W2059322929 cites W2072566637 @default.
• W2059322929 cites W2072672571 @default.
• W2059322929 cites W2079245444 @default.
• W2059322929 cites W2080465657 @default.
• W2059322929 cites W2083752471 @default.
• W2059322929 cites W2085093563 @default.
• W2059322929 cites W2088925839 @default.
• W2059322929 cites W2091225075 @default.
• W2059322929 cites W2092034885 @default.
• W2059322929 cites W2093324019 @default.
• W2059322929 cites W2135049526 @default.
• W2059322929 cites W2150687058 @default.
• W2059322929 cites W2157909400 @default.
• W2059322929 cites W2317046053 @default.
• W2059322929 cites W2917482096 @default.
• W2059322929 cites W66354410 @default.
• W2059322929 doi "https://doi.org/10.1016/j.susc.2013.07.027" @default.
• W2059322929 hasPublicationYear "2013" @default.
• W2059322929 type Work @default.
• W2059322929 sameAs 2059322929 @default.
• W2059322929 citedByCount "21" @default.
• W2059322929 countsByYear W20593229292014 @default.
• W2059322929 countsByYear W20593229292015 @default.
• W2059322929 countsByYear W20593229292016 @default.
• W2059322929 countsByYear W20593229292018 @default.
• W2059322929 countsByYear W20593229292019 @default.
• W2059322929 countsByYear W20593229292020 @default.
• W2059322929 countsByYear W20593229292021 @default.
• W2059322929 crossrefType "journal-article" @default.
• W2059322929 hasAuthorship W2059322929A5085960922 @default.
• W2059322929 hasAuthorship W2059322929A5090200106 @default.
• W2059322929 hasConcept C111368507 @default.
• W2059322929 hasConcept C121332964 @default.
• W2059322929 hasConcept C127313418 @default.
• W2059322929 hasConcept C147597530 @default.
• W2059322929 hasConcept C152365726 @default.
• W2059322929 hasConcept C159985019 @default.
• W2059322929 hasConcept C181966813 @default.
• W2059322929 hasConcept C185592680 @default.
• W2059322929 hasConcept C191897082 @default.
• W2059322929 hasConcept C192562407 @default.
• W2059322929 hasConcept C26873012 @default.
• W2059322929 hasConcept C2775913835 @default.
• W2059322929 hasConcept C2777289219 @default.
• W2059322929 hasConcept C3045981 @default.
• W2059322929 hasConcept C49040817 @default.
• W2059322929 hasConcept C535196362 @default.
• W2059322929 hasConcept C8010536 @default.
• W2059322929 hasConcept C84416704 @default.
• W2059322929 hasConcept C86025842 @default.

• next