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 …

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 …

Density functional theory study of high-temperature CO2 adsorption by Li2ZrO3: Effect of typical flue gas components on adsorption energy and electronic properties

Y Liu, X Ji, T Wang, J Wang, Y Zhang… - Separation and Purification …, 2023 - Elsevier
Abstract Lithium zirconate (Li 2 ZrO 3) is one of the best-performing high-temperature CO 2
adsorbents, but the effect of flue gas on its mutual mechanism of action is not clear. The …

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 …

Near-ultraviolet-sensitive graphene/porous silicon photodetectors

J Kim, SS Joo, KW Lee, JH Kim, DH Shin… - … applied materials & …, 2014 - ACS Publications
Porous silicon (PSi) is recognized as an attractive building block for photonic devices
because of its novel properties including high ratio of surface to volume and high light …

Study on FeS2/g-C3N4 as a photo-Fenton heterojunction catalyst for tetracycline degradation with H2O2 under visible light irradiation

L Li, J Gao, Y Yuan, S Zhang, M Liang, Y Liu - Journal of the Taiwan …, 2021 - Elsevier
Background Heterojunction catalysts have been used in photo-Fenton reaction. However,
the rapid recombination of photo-generated electron-hole would reduce the reaction and …

An inversion layer at the surface of n-type iron pyrite

M Limpinsel, N Farhi, N Berry, J Lindemuth… - Energy & …, 2014 - pubs.rsc.org
Numerical modeling of Hall effect data is used to demonstrate the existence of a conductive
inversion layer at the surface of high-quality n-type single crystals of iron pyrite (cubic FeS2) …

Equilibrium particle shape and surface chemistry of disordered Li-excess, Mn-rich Li-ion cathodes through first-principles modeling

J Burns, B Ouyang, J Cheng, MK Horton… - Chemistry of …, 2022 - ACS Publications
A novel methodology for calculating the surface energy of a disordered material was
developed and is described here. The method was used to calculate the range of surface …

Quantifying Fenton reaction pathways driven by self-generated H2O2 on pyrite surfaces

C Gil-Lozano, AF Davila, E Losa-Adams, AG Fairén… - Scientific reports, 2017 - nature.com
Oxidation of pyrite (FeS2) plays a significant role in the redox cycling of iron and sulfur on
Earth and is the primary cause of acid mine drainage (AMD). It has been established that …

Graphene/porous silicon Schottky-junction solar cells

DH Shin, JH Kim, JH Kim, CW Jang, SW Seo… - Journal of Alloys and …, 2017 - Elsevier
Porous silicon (PSi) is highly attractive for the solar cell applications due to its unique
properties such as efficient antireflection, band gap widening, broad range of optical …