Iron Pyrite (FeS2): Sustainable Photovoltaic Material

Khalid, Sadia; Ahmed, Ejaz; Khan, Yaqoob; Nawaz, Saima; Ramzan, Muhammad; Khalid, N.R.; Ahmed, Waqar

doi:10.1007/978-3-319-67132-1_11

Cited by 4 publications

(2 citation statements)

References 156 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Pyrite has wide area of applications (Figure ) such as energy storage and conversion field: photovoltaics,, photocatalytic hydrogen production, batteries, supercapacitors, photocapacitors, thermoelectricity;, electronics,, optoelectronics, spintronics; environmental applications; hydrogenation; sensors; agriculture, and emerging biomedical field …”

Section: Introductionmentioning

confidence: 99%

Nanocrystalline Pyrite for Photovoltaic Applications

et al. 2018

Self Cite

View full text Add to dashboard Cite

Transition metal sulfides (TMSs) are of special interest in energy conversion and storage devices. Amongst all sulfides, fool's gold or iron pyrite (FeS 2 ) is potentially an attractive candidate for photovoltaic applications. Iron pyrite has risen to prominence due to its distinct properties and abundance in nature to meet the large scale needs. It is considered as environmentally benign solar absorber material with high absorption coefficient, α > 6 x10 5 cm À 1 for λ � 700 nm and suitable energy bandgap (E g = 0.95 eV). Numerous physical and chemical methods have been employed to deposit nanocrystalline pyrite thin films directly from source materials or indirectly by sulfuration. This review gives an overview of pyrite as a low cost photovoltaic absorber material for contemporary solar cell structures. In addition, practical approaches like the rational design of nanocomposites, band gap engineering and nanostructure synthesis of pyrite for improving its properties particularly photovoltaic properties are also deliberated. Moreover, limitations, challenges, remedies and prospects of pyrite as potential photovoltaic material are also reviewed to further advance the development of pyrite-based solar cell configurations.[a] Dr.at a low precursor concentration, pyrite nanocubes (125-250 nm in 20-180 min) were obtained due to low nuclei concentration and slow growth (diffusion limited) in quasiequilibrium. The anisotropic structures nanodendrites were 2 3 4 5 6 7 8

show abstract

Section: Introductionmentioning

confidence: 99%

Nanocrystalline Pyrite for Photovoltaic Applications

et al. 2018

Self Cite

View full text Add to dashboard Cite

show abstract

“…Since 1980s ( Chatzitheodorou et al, 1986 ; Ennaoui et al, 1986 ), increasing practical interest has been drawn to pyrite FeS 2 for its potential as a cheap and competitive candidate material for efficient solar energy conversion ( Wadia et al, 2009 ) because of its natural abundance, non-toxicity, suitable optical gap and extraordinarily large absorption coefficient ( Ferrer et al, 1990 ; Ennaoui et al, 1993 ). This has led to new solutions under various optoelectronic scenarios, including photovoltaics ( Khalid et al, 2018 ), photo-catalysis ( Tian et al, 2015 ; Barawi et al, 2016 ), solid-state photo-capacitors ( Gong et al, 2013a ) and photo-detectors ( Wang et al, 2012 ; Gong et al, 2013b ). However, practical application of FeS 2 -based optoelectronic devices is seriously hampered by its unexpected low efficiency due to a loss of open-circuit voltage V OC ( Cabán-Acevedo et al, 2014 ).…”

Section: Introductionmentioning

confidence: 99%

Accurate Prediction of Band Structure of FeS2: A Hard Quest of Advanced First-Principles Approaches

Zhang

Jiang

2021

Front. Chem.

View full text Add to dashboard Cite

The pyrite and marcasite polymorphs of FeS2 have attracted considerable interests for their potential applications in optoelectronic devices because of their appropriate electronic and optical properties. Controversies regarding their fundamental band gaps remain in both experimental and theoretical materials research of FeS2. In this work, we present a systematic theoretical investigation into the electronic band structures of the two polymorphs by using many-body perturbation theory with the GW approximation implemented in the full-potential linearized augmented plane waves (FP-LAPW) framework. By comparing the quasi-particle (QP) band structures computed with the conventional LAPW basis and the one extended by high-energy local orbitals (HLOs), denoted as LAPW + HLOs, we find that one-shot or partially self-consistent GW (G0W0 and GW0, respectively) on top of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation with a converged LAPW + HLOs basis is able to remedy the artifact reported in the previous GW calculations, and leads to overall good agreement with experiment for the fundamental band gaps of the two polymorphs. Density of states calculated from G0W0@PBE with the converged LAPW + HLOs basis agrees well with the energy distribution curves from photo-electron spectroscopy for pyrite. We have also investigated the performances of several hybrid functionals, which were previously shown to be able to predict band gaps of many insulating systems with accuracy close or comparable to GW. It is shown that the hybrid functionals considered in general fail badly to describe the band structures of FeS2 polymorphs. This work indicates that accurate prediction of electronic band structure of FeS2 poses a stringent test on state-of-the-art first-principles approaches, and the G0W0 method based on semi-local approximation performs well for this difficult system if it is practiced with well-converged numerical accuracy.

show abstract

Compositional-dependent enhanced physicochemical and photovoltaic studies of nanocrystalline Ti1-xFexO2-δ photoelectrodes co-sensitized with CdS QDs-N719 dye

Dhodamani

Dongale

et al. 2022

J Solid State Electrochem

View full text Add to dashboard Cite

Iron Pyrite (FeS2): Sustainable Photovoltaic Material

Cited by 4 publications

References 156 publications

Nanocrystalline Pyrite for Photovoltaic Applications

Nanocrystalline Pyrite for Photovoltaic Applications

Accurate Prediction of Band Structure of FeS2: A Hard Quest of Advanced First-Principles Approaches

Compositional-dependent enhanced physicochemical and photovoltaic studies of nanocrystalline Ti1-xFexO2-δ photoelectrodes co-sensitized with CdS QDs-N719 dye

Contact Info

Product

Resources

About