Sökning: WFRF:(Strach Michal 1988) >
Suitability of Cu-s...
-
Ninova, SilviyaUniversität Bern,University of Bern
(författare)
Suitability of Cu-substituted beta-Mn2V2O7 and Mn-substituted beta-Cu2V2O7 for photocatalytic water-splitting
- Artikel/kapitelEngelska2020
Förlag, utgivningsår, omfång ...
Nummerbeteckningar
-
LIBRIS-ID:oai:research.chalmers.se:6307b565-d5a9-4e1a-8025-6fb4f2eddf0a
-
https://doi.org/10.1063/5.0019306DOI
-
https://research.chalmers.se/publication/519207URI
Kompletterande språkuppgifter
-
Språk:engelska
-
Sammanfattning på:engelska
Ingår i deldatabas
Klassifikation
-
Ämneskategori:art swepub-publicationtype
-
Ämneskategori:ref swepub-contenttype
Anmärkningar
-
The pyrovanadates beta -Mn2V2O7 and beta -Cu2V2O7 were previously investigated as photoanode materials for water splitting. Neither of them, however, was found to be sufficiently active. In this work, we predict the properties of these two structurally similar pyrovanadates upon Cu/Mn substitution in their corresponding lattices via density functional theory calculations to explore the suitability of their band structure for water splitting and to assess their ease of synthesis. We predict that a concentration of up to 20% Cu and Mn into beta -Mn2V2O7 and beta -Cu2V2O7, respectively, leads to a narrowing of the bandgap, which, in the former case, is experimentally confirmed by UV-vis spectroscopy. Calculations in the intermediate composition range, however, yield nearly constant bandgaps. Moreover, we predict the materials with higher substitution levels to be increasingly difficult to synthesize, implying that low substitution levels are most relevant in terms of bandgaps and ease of synthesis.
Ämnesord och genrebeteckningar
Biuppslag (personer, institutioner, konferenser, titlar ...)
-
Strach, Michal,1988Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)strach
(författare)
-
Buonsanti, RaffaellaEcole Polytechnique Federale de Lausanne (EPFL),Swiss Federal Institute of Technology in Lausanne (EPFL)
(författare)
-
Aschauer, UlrichUniversität Bern,University of Bern
(författare)
-
Universität BernChalmers tekniska högskola
(creator_code:org_t)
Sammanhörande titlar
-
Ingår i:Journal of Chemical Physics: AIP Publishing153:81089-76900021-9606
Internetlänk
Hitta via bibliotek
Till lärosätets databas