FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2047861569> ?p ?o ?g. }

• W2047861569 endingPage "452" @default.
• W2047861569 startingPage "441" @default.
• W2047861569 abstract "The surface of charged wet TiO2 anatase (001) functionalised by ruthenium ion at ambient temperatures is studied by computational modelling. Response of this model to photoexcitations at ambient temperatures is explored with the Redfield density matrix equation of motion on the basis of Kohn–Sham orbitals. The parameters of the Redfield equation are on-the-fly non-adiabatic couplings for electronic degrees of freedom obtained along the ab initio molecular dynamics nuclear trajectories. The main results in this study are the following: (1) optical properties of the doped models such as light absorption intensity and transition energies can be tuned by modifying total charge; (2) electron and hole relaxation rates depend on the initial excitation; and (3) in the doped model, excitations of lower energy provide quicker relaxation. Results of computational modelling would benefit understanding of the mechanism of electron transfer processes on the surface of ruthenium-doped TiO2." @default.
• W2047861569 created "2016-06-24" @default.
• W2047861569 creator A5025052028 @default.
• W2047861569 creator A5042811544 @default.
• W2047861569 creator A5076784728 @default.
• W2047861569 date "2013-09-25" @default.
• W2047861569 modified "2023-09-23" @default.
• W2047861569 title "Electron dynamics in charged wet TiO₂anatase (001) surface functionalised by ruthenium ions" @default.
• W2047861569 cites W1966948833 @default.
• W2047861569 cites W1976258341 @default.
• W2047861569 cites W1979673193 @default.
• W2047861569 cites W1981368803 @default.
• W2047861569 cites W1986216592 @default.
• W2047861569 cites W1988399094 @default.
• W2047861569 cites W1991739273 @default.
• W2047861569 cites W1994129483 @default.
• W2047861569 cites W1995920295 @default.
• W2047861569 cites W2012641304 @default.
• W2047861569 cites W2013656542 @default.
• W2047861569 cites W2030217248 @default.
• W2047861569 cites W2037006971 @default.
• W2047861569 cites W2042492216 @default.
• W2047861569 cites W2046573948 @default.
• W2047861569 cites W2046605638 @default.
• W2047861569 cites W2049495136 @default.
• W2047861569 cites W2053320074 @default.
• W2047861569 cites W2064689891 @default.
• W2047861569 cites W2069949184 @default.
• W2047861569 cites W2076462975 @default.
• W2047861569 cites W2079151014 @default.
• W2047861569 cites W2083222334 @default.
• W2047861569 cites W2121304740 @default.
• W2047861569 cites W2136970828 @default.
• W2047861569 cites W2145274462 @default.
• W2047861569 cites W2318234660 @default.
• W2047861569 cites W2321616788 @default.
• W2047861569 cites W2322259610 @default.
• W2047861569 cites W2324537559 @default.
• W2047861569 cites W2333990438 @default.
• W2047861569 cites W2334603140 @default.
• W2047861569 cites W2334650844 @default.
• W2047861569 cites W1997650848 @default.
• W2047861569 doi "https://doi.org/10.1080/00268976.2013.836609" @default.
• W2047861569 hasPublicationYear "2013" @default.
• W2047861569 type Work @default.
• W2047861569 sameAs 2047861569 @default.
• W2047861569 citedByCount "19" @default.
• W2047861569 countsByYear W20478615692013 @default.
• W2047861569 countsByYear W20478615692014 @default.
• W2047861569 countsByYear W20478615692015 @default.
• W2047861569 countsByYear W20478615692016 @default.
• W2047861569 countsByYear W20478615692018 @default.
• W2047861569 countsByYear W20478615692019 @default.
• W2047861569 countsByYear W20478615692021 @default.
• W2047861569 crossrefType "journal-article" @default.
• W2047861569 hasAuthorship W2047861569A5025052028 @default.
• W2047861569 hasAuthorship W2047861569A5042811544 @default.
• W2047861569 hasAuthorship W2047861569A5076784728 @default.
• W2047861569 hasConcept C121332964 @default.
• W2047861569 hasConcept C139358910 @default.
• W2047861569 hasConcept C145148216 @default.
• W2047861569 hasConcept C147120987 @default.
• W2047861569 hasConcept C147597530 @default.
• W2047861569 hasConcept C152365726 @default.
• W2047861569 hasConcept C15744967 @default.
• W2047861569 hasConcept C159467904 @default.
• W2047861569 hasConcept C161790260 @default.
• W2047861569 hasConcept C178790620 @default.
• W2047861569 hasConcept C184779094 @default.
• W2047861569 hasConcept C185592680 @default.
• W2047861569 hasConcept C189394030 @default.
• W2047861569 hasConcept C192562407 @default.
• W2047861569 hasConcept C20853536 @default.
• W2047861569 hasConcept C2776029896 @default.
• W2047861569 hasConcept C2777402863 @default.
• W2047861569 hasConcept C32909587 @default.
• W2047861569 hasConcept C41999313 @default.
• W2047861569 hasConcept C49040817 @default.
• W2047861569 hasConcept C55493867 @default.
• W2047861569 hasConcept C555196967 @default.
• W2047861569 hasConcept C57863236 @default.
• W2047861569 hasConcept C62520636 @default.
• W2047861569 hasConcept C65165184 @default.
• W2047861569 hasConcept C77805123 @default.
• W2047861569 hasConcept C83581075 @default.
• W2047861569 hasConceptScore W2047861569C121332964 @default.
• W2047861569 hasConceptScore W2047861569C139358910 @default.
• W2047861569 hasConceptScore W2047861569C145148216 @default.
• W2047861569 hasConceptScore W2047861569C147120987 @default.
• W2047861569 hasConceptScore W2047861569C147597530 @default.
• W2047861569 hasConceptScore W2047861569C152365726 @default.
• W2047861569 hasConceptScore W2047861569C15744967 @default.
• W2047861569 hasConceptScore W2047861569C159467904 @default.
• W2047861569 hasConceptScore W2047861569C161790260 @default.
• W2047861569 hasConceptScore W2047861569C178790620 @default.
• W2047861569 hasConceptScore W2047861569C184779094 @default.
• W2047861569 hasConceptScore W2047861569C185592680 @default.
• W2047861569 hasConceptScore W2047861569C189394030 @default.

• next