Matches in SemOpenAlex for { <https://semopenalex.org/work/W2074734256> ?p ?o ?g. }
- W2074734256 abstract "We model interface formation by metal deposition on the conjugated polymer poly-para-phenylene vinylene, studying direct aluminum and layered aluminum-calcium structures Al/PPV and Al/Ca/PPV. To do that we use classical molecular dynamics simulations, checked by ab initio density-functional theory calculations, for selected relevant configurations. We find that Al not only migrates easily into the film, with a strong charge transfer to the neighboring chains, but also promotes rearrangement of the polymer in the interfacial region to the hexagonal structure. On the other hand, our results indicate that a thin Ca layer is sufficient to protect the film and maintain a well-defined metal/polymer interface, and that also a thin Al capping layer may protect the whole from environmental degradation." @default.
- W2074734256 created "2016-06-24" @default.
- W2074734256 creator A5006910532 @default.
- W2074734256 creator A5054716258 @default.
- W2074734256 date "2008-10-15" @default.
- W2074734256 modified "2023-10-18" @default.
- W2074734256 title "Atomistic molecular dynamics study of interface formation: Al on poly(p-phenylene vinylene)" @default.
- W2074734256 cites W1657433554 @default.
- W2074734256 cites W1963761817 @default.
- W2074734256 cites W1966349596 @default.
- W2074734256 cites W1986812524 @default.
- W2074734256 cites W1989060947 @default.
- W2074734256 cites W1992984162 @default.
- W2074734256 cites W2007488116 @default.
- W2074734256 cites W2008359005 @default.
- W2074734256 cites W2011736159 @default.
- W2074734256 cites W2013332724 @default.
- W2074734256 cites W2015762944 @default.
- W2074734256 cites W2022085321 @default.
- W2074734256 cites W2022500129 @default.
- W2074734256 cites W2023918094 @default.
- W2074734256 cites W2024283183 @default.
- W2074734256 cites W2026374723 @default.
- W2074734256 cites W2027924480 @default.
- W2074734256 cites W2030971064 @default.
- W2074734256 cites W2032752947 @default.
- W2074734256 cites W2034570595 @default.
- W2074734256 cites W2035148808 @default.
- W2074734256 cites W2035223648 @default.
- W2074734256 cites W2036113194 @default.
- W2074734256 cites W2039293942 @default.
- W2074734256 cites W2042546061 @default.
- W2074734256 cites W2043461602 @default.
- W2074734256 cites W2045596260 @default.
- W2074734256 cites W2046878793 @default.
- W2074734256 cites W2047873346 @default.
- W2074734256 cites W2050516208 @default.
- W2074734256 cites W2052050824 @default.
- W2074734256 cites W2080819871 @default.
- W2074734256 cites W2086671280 @default.
- W2074734256 cites W2093307998 @default.
- W2074734256 cites W2170006871 @default.
- W2074734256 cites W2331536784 @default.
- W2074734256 cites W2953003901 @default.
- W2074734256 cites W4249144140 @default.
- W2074734256 cites W2090979887 @default.
- W2074734256 doi "https://doi.org/10.1103/physrevb.78.155312" @default.
- W2074734256 hasPublicationYear "2008" @default.
- W2074734256 type Work @default.
- W2074734256 sameAs 2074734256 @default.
- W2074734256 citedByCount "15" @default.
- W2074734256 countsByYear W20747342562014 @default.
- W2074734256 countsByYear W20747342562015 @default.
- W2074734256 countsByYear W20747342562016 @default.
- W2074734256 countsByYear W20747342562019 @default.
- W2074734256 crossrefType "journal-article" @default.
- W2074734256 hasAuthorship W2074734256A5006910532 @default.
- W2074734256 hasAuthorship W2074734256A5054716258 @default.
- W2074734256 hasConcept C112613896 @default.
- W2074734256 hasConcept C127413603 @default.
- W2074734256 hasConcept C147597530 @default.
- W2074734256 hasConcept C151730666 @default.
- W2074734256 hasConcept C152365726 @default.
- W2074734256 hasConcept C159467904 @default.
- W2074734256 hasConcept C159985019 @default.
- W2074734256 hasConcept C171250308 @default.
- W2074734256 hasConcept C178790620 @default.
- W2074734256 hasConcept C185592680 @default.
- W2074734256 hasConcept C19067145 @default.
- W2074734256 hasConcept C191897082 @default.
- W2074734256 hasConcept C192562407 @default.
- W2074734256 hasConcept C2775928910 @default.
- W2074734256 hasConcept C2776026683 @default.
- W2074734256 hasConcept C2779227376 @default.
- W2074734256 hasConcept C2781442258 @default.
- W2074734256 hasConcept C2816523 @default.
- W2074734256 hasConcept C42360764 @default.
- W2074734256 hasConcept C513153333 @default.
- W2074734256 hasConcept C521977710 @default.
- W2074734256 hasConcept C544153396 @default.
- W2074734256 hasConcept C59593255 @default.
- W2074734256 hasConcept C64297162 @default.
- W2074734256 hasConcept C86803240 @default.
- W2074734256 hasConceptScore W2074734256C112613896 @default.
- W2074734256 hasConceptScore W2074734256C127413603 @default.
- W2074734256 hasConceptScore W2074734256C147597530 @default.
- W2074734256 hasConceptScore W2074734256C151730666 @default.
- W2074734256 hasConceptScore W2074734256C152365726 @default.
- W2074734256 hasConceptScore W2074734256C159467904 @default.
- W2074734256 hasConceptScore W2074734256C159985019 @default.
- W2074734256 hasConceptScore W2074734256C171250308 @default.
- W2074734256 hasConceptScore W2074734256C178790620 @default.
- W2074734256 hasConceptScore W2074734256C185592680 @default.
- W2074734256 hasConceptScore W2074734256C19067145 @default.
- W2074734256 hasConceptScore W2074734256C191897082 @default.
- W2074734256 hasConceptScore W2074734256C192562407 @default.
- W2074734256 hasConceptScore W2074734256C2775928910 @default.
- W2074734256 hasConceptScore W2074734256C2776026683 @default.
- W2074734256 hasConceptScore W2074734256C2779227376 @default.
- W2074734256 hasConceptScore W2074734256C2781442258 @default.