Iron disulfide for solar energy conversion

Ennaoui, A.; Fiechter, S.; Pettenkofer, C.; Alonso-Vante, Nicolás; Büker, K.; Bronold, M.; Höpfner, C.; Tributsch, H.

doi:10.1016/0927-0248(93)90095-k

Cited by 561 publications

(545 citation statements)

References 103 publications

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“…Isostructural diselenides and ditellurides include the compounds of such elements as Mn, Ru, Os, and Co. 2 The (Fe, M)(S, A) 2 class of materials, where M is one of the above transition metals and A=Se or Te, has not been studied. Unfortunately, the toxicity and scarcity of these chalcogens would make them unfavorable for large-scale photovoltaic applications.…”

Section: Discussionmentioning

confidence: 99%

Feasibility of band gap engineering of pyrite FeS2

Sun

Ceder

2011

Phys. Rev. B

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We use first-principles computations to investigate whether the band gap of pyrite FeS2 can be increased by alloying in order to make it a more effective photovoltaic material. In addition to the isostructural compounds that have a larger band gap (ZnS2, RuS2, OsS2), we evaluate non-rareearth isovalent alloying candidates among all metals, transition metals, and semiconductor elements up to group IV and period 6 in the periodic table. From this screening procedure, we find that the group II elements (Be, Mg, Ca, Sr, Ba) and Cd have higher band gaps in the pyrite structure than FeS2. Practical band gap enhancement is observed only in the Ru and Os alloyed systems, but their incorporation into pyrite may be severely limited by the large positive enthalpy of mixing. All other candidate (Fe, M)S2 systems exhibit very large gap bowing effects such that the band gap at intermediate compositions is even lower than that of FeS2. Positive correlations between immiscibility and differences in electronegativity and Shannon ionic radius are observed.

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Section: Discussionmentioning

confidence: 99%

Feasibility of band gap engineering of pyrite FeS2

Sun

Ceder

2011

Phys. Rev. B

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“…Tributsch et al showed the optimized performance of photoelectrochemical cells utilizing an I À /I 3 electrolyte, which was attributed to the adsorption of ions onto the active material surface. 3 Halide ions have strong affinity for the Fe-terminated cations of FeS 2 (100) surfaces and act as ligands offering a direct approach to highly effective passivation. 14 While this was beneficial, having an aqueous electrolyte solution is detrimental to pyrite due to its known photo-degradation in water.…”

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confidence: 99%

Ionic-passivated FeS2 photocapacitors for energy conversion and storage

et al. 2013

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“…These minerals are frequently found together with non-ferrous base metals and precious metals in ores and play an important role in the biogeochemical sulfur cycle and other environmental processes [1][2][3][4]. Pyrite (FeS 2 ) has a cubic crystal lattice composed of low-spin ferrous iron and disulfide S 2 2− groups with a bulk band gap of about 0.95 eV [5][6][7]; it is one of the promising materials for photovoltaic [8,9], battery cathode [10,11], thermoelectric [12] and other applications. Pyrrhotites (Fe 1−x S, 0 < x < 0.2) crystallize in a NiAs-like structure consisting of highspin Fe 2+ , monosulfide anions and a system of ordered cationic vacancies, having a very narrow gap of about 0.05 eV [1,13,14].…”

Section: Introductionmentioning

confidence: 99%

Hard X-ray photoelectron and X-ray absorption spectroscopy characterization of oxidized surfaces of iron sulfides

Mikhlin

Tomashevich

Vorobyev

et al. 2016

Applied Surface Science

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a b s t r a c tHard X-ray photoelectron spectroscopy (HAXPES) using an excitation energy range of 2 keV to 6 keV in combination with Fe K-and S K-edge XANES, measured simultaneously in total electron (TEY) and partial fluorescence yield (PFY) modes, have been applied to study near-surface regions of natural polycrystalline pyrite FeS 2 and pyrrhotite Fe 1−x S before and after etching treatments in an acidic ferric chloride solution. It was found that the following near-surface regions are formed owing to the preferential release of iron from oxidized metal sulfide lattices: (i) a thin, no more than 1-4 nm in depth, outer layer containing polysulfide species, (ii) a layer exhibiting less pronounced stoichiometry deviations and low, if any, concentrations of polysulfide, the composition and dimensions of which vary for pyrite and pyrrhotite and depend on the chemical treatment, and (iii) an extended almost stoichiometric underlayer yielding modified TEY XANES spectra, probably, due to a higher content of defects. We suggest that the extended layered structure should heavily affect the near-surface electronic properties, and processes involving the surface and interfacial charge transfer.

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Iron disulfide for solar energy conversion

Cited by 561 publications

References 103 publications

Feasibility of band gap engineering of pyrite FeS2

Feasibility of band gap engineering of pyrite FeS2

Ionic-passivated FeS2 photocapacitors for energy conversion and storage

Hard X-ray photoelectron and X-ray absorption spectroscopy characterization of oxidized surfaces of iron sulfides

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