On the mechanistic understanding of photovoltage loss in iron pyrite solar cells

M Rahman, G Boschloo, A Hagfeldt… - Advanced …, 2020 - Wiley Online Library
Considering the natural abundance, the optoelectronic properties, and the electricity
production cost, iron pyrite (FeS2) has a strong appeal as a solar cell material. The …

Surface photovoltage phenomena: theory, experiment, and applications

L Kronik, Y Shapira - Surface science reports, 1999 - Elsevier
The theoretical concepts, experimental tools, and applications of surface photovoltage (SPV)
techniques are reviewed in detail. The theoretical discussion is divided into two sections …

Equation-of-Motion Coupled-Cluster Cumulant Green's Function for Excited States and X-Ray Spectra

FD Vila, JJ Kas, JJ Rehr, K Kowalski, B Peng - Frontiers in Chemistry, 2021 - frontiersin.org
Green's function methods provide a robust, general framework within many-body theory for
treating electron correlation in both excited states and x-ray spectra. Conventional methods …

Iron Pyrite Thin Films Synthesized from an Fe(acac)3 Ink

S Seefeld, M Limpinsel, Y Liu, N Farhi… - Journal of the …, 2013 - ACS Publications
Iron pyrite (cubic FeS2) is a promising candidate absorber material for earth-abundant thin-
film solar cells. Here, we report on phase-pure, large-grain, and uniform polycrystalline …

The adsorption of gold (I) hydrosulphide complexes by iron sulphide surfaces

AM Widler, TM Seward - Geochimica et Cosmochimica Acta, 2002 - Elsevier
The adsorption of gold by pyrite, pyrrhotite, and mackinawite from solutions containing up to
40 mg/kg (8 μm) gold as hydrosulphidogold (I) complexes has been measured over the pH …

Atmospheric‐pressure chemical vapor deposition of iron pyrite thin films

N Berry, M Cheng, CL Perkins… - Advanced Energy …, 2012 - Wiley Online Library
Iron pyrite (cubic FeS2) is a promising candidate absorber material for earth‐abundant thin‐
film solar cells. In this report, single‐phase, large‐grain, and uniform polycrystalline pyrite …

First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

R Sun, MKY Chan, G Ceder - Physical Review B—Condensed Matter and …, 2011 - APS
Despite the many advantages (eg, suitable band gap, exceptional optical absorptivity, earth
abundance) of pyrite as a photovoltaic material, its low open-circuit voltage (OCV) has …

The interaction of pyrite {100} surfaces with O2 and H2O: Fundamental oxidation mechanisms

KM Rosso, U Becker, MF Hochella Jr - American Mineralogist, 1999 - degruyter.com
The interaction of gaseous O2, H2O, and their mixtures with clean {100} surfaces of pyrite
(FeS2) were investigated in ultra-high vacuum using scanning tunneling microscopy and …

Ionization of high-density deep donor defect states explains the low photovoltage of iron pyrite single crystals

M Cabán-Acevedo, NS Kaiser, CR English… - Journal of the …, 2014 - ACS Publications
Iron pyrite (FeS2) is considered a promising earth-abundant semiconductor for solar energy
conversion with the potential to achieve terawatt-scale deployment. However, despite …

Effect of surface stoichiometry on the band gap of the pyrite FeS(100) surface

YN Zhang, J Hu, M Law, RQ Wu - Physical Review B—Condensed Matter and …, 2012 - APS
Systematic spin-polarized density functional calculations were performed for a series of
pyrite FeS 2 (100) surfaces to clarify the effect of surface stoichiometry on stability, electronic …