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Enhanced Photoresponse of FeS 2 Films: The Role of Marcasite–Pyrite Phase Junctions
Author(s) -
Wu Longfei,
Dzade Nelson Y.,
Gao Lu,
Scanlon David O.,
Öztürk Zafer,
Hollingsworth Nathan,
Weckhuysen Bert M.,
Hensen Emiel J. M.,
de Leeuw Nora H.,
Hofmann Jan P.
Publication year - 2016
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201602222
Subject(s) - marcasite , pyrite , materials science , phase (matter) , electrochemistry , density functional theory , sulfide , polysulfide , nanotechnology , electron transfer , charge (physics) , chemical physics , optoelectronics , electrode , electrolyte , metallurgy , chemistry , computational chemistry , organic chemistry , sphalerite , physics , quantum mechanics
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‐FeS 2 films 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.