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- ItemThe electronic structure of ϵ-Ga2O3(Melville, NY : AIP Publ., 2019) Mulazzi, M.; Reichmann, F.; Becker, A.; Klesse, W.M.; Alippi, P.; Fiorentini, V.; Parisini, A.; Bosi, M.; Fornari, R.The electronic structure of ε-Ga2O3 thin films has been investigated by ab initio calculations and photoemission spectroscopy with UV, soft, and hard X-rays to probe the surface and bulk properties. The latter measurements reveal a peculiar satellite structure in the Ga 2p core level spectrum, absent at the surface, and a core-level broadening that can be attributed to photoelectron recoil. The photoemission experiments indicate that the energy separation between the valence band and the Fermi level is about 4.4 eV, a valence band maximum at the Γ point and an effective mass of the highest lying bands of – 4.2 free electron masses. The value of the bandgap compares well with that obtained by optical experiments and with that obtained by calculations performed using a hybrid density-functional, which also reproduce well the dispersion and density of states.
- ItemPinning of the Fermi Level in CuFeO2 by Polaron Formation Limiting the Photovoltage for Photochemical Water Splitting(Weinheim : Wiley-VCH Verlag, 2020) Hermans Y.; Klein A.; Sarker H.P.; Huda M.N.; Junge H.; Toupance T.; Jaegermann W.CuFeO2 is recognized as a potential photocathode for photo(electro)chemical water splitting. However, photocurrents with CuFeO2-based systems are rather low so far. In order to optimize charge carrier separation and water reduction kinetics, defined CuFeO2/Pt, CuFeO2/Ag, and CuFeO2/NiOx(OH)y heterostructures are made in this work through a photodeposition procedure based on a 2H CuFeO2 hexagonal nanoplatelet shaped powder. However, water splitting performance tests in a closed batch photoreactor show that these heterostructured powders exhibit limited water reduction efficiencies. To test whether Fermi level pinning intrinsically limits the water reduction capacity of CuFeO2, the Fermi level tunability in CuFeO2 is evaluated by creating CuFeO2/ITO and CuFeO2/H2O interfaces and analyzing the electronic and chemical properties of the interfaces through photoelectron spectroscopy. The results indicate that Fermi level pinning at the Fe3+/Fe2+ electron polaron formation level may intrinsically prohibit CuFeO2 from acquiring enough photovoltage to reach the water reduction potential. This result is complemented with density functional theory calculations as well. © 2020 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim