title: Enhanced Photoresponse of FeS2Films: The Role of Marcasite-Pyrite Phase Junctions.
abstract: The beneficial role of marcasite in iron-sulfide-based photo-electrochemical applications is reported for the first time. A spectacular improvement of the photoresponse observed experimentally for mixed pyrite/marcasite-FeS2films can be ascribed to the presence of p/m phase junctions at the interface. Density functional theory calculations show that the band alignment at the phase boundary contributes to enhanced charge separation and transfer across the interface.
authors.affiliation: Laboratory of Inorganic Materials Chemistry, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600, MB, Eindhoven, The Netherlands.
authors.forename: Longfei
authors.initials: L
authors.lastname: Wu
authors.affiliation: Faculty of Geosciences, Utrecht University, Princetonplein 9, 3584, CC, Utrecht, The Netherlands.
authors.forename: Nelson Y
authors.initials: NY
authors.lastname: Dzade
authors.affiliation: Laboratory of Inorganic Materials Chemistry, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600, MB, Eindhoven, The Netherlands.
authors.forename: Lu
authors.initials: L
authors.lastname: Gao
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H0AJ, UK.
authors.forename: David O
authors.initials: DO
authors.lastname: Scanlon
authors.affiliation: Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 3584, CG, Utrecht, The Netherlands.
authors.forename: Zafer
authors.initials: Z
authors.lastname: Öztürk
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H0AJ, UK.
authors.forename: Nathan
authors.initials: N
authors.lastname: Hollingsworth
authors.affiliation: Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 3584, CG, Utrecht, The Netherlands.
authors.forename: Bert M
authors.initials: BM
authors.lastname: Weckhuysen
authors.affiliation: Laboratory of Inorganic Materials Chemistry, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600, MB, Eindhoven, The Netherlands.
authors.forename: Emiel J M
authors.initials: EJ
authors.lastname: Hensen
authors.affiliation: Faculty of Geosciences, Utrecht University, Princetonplein 9, 3584, CC, Utrecht, The Netherlands.
authors.forename: Nora H
authors.initials: NH
authors.lastname: de Leeuw
authors.affiliation: Laboratory of Inorganic Materials Chemistry, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600, MB, Eindhoven, The Netherlands.
authors.forename: Jan P
authors.initials: JP
authors.lastname: Hofmann
keywords: band alignment; charge separation; marcasite; phase junctions; pyrite