Tuning the optoelectronic properties of emerging solar absorbers through cation disorder engineering

YT Huang, RLZ Hoye - Nanoscale, 2024 - pubs.rsc.org
Chalcogenide solar absorbers, such as AgBiS2 and kesterites, have gained a resurgence of
interest recently, owing to their high stability compared to metal–halide compounds, as well …

Synthesis, Structure, and Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity

CJ Hawkins, JA Newnham, B Almoussawi… - Chemistry of …, 2024 - ACS Publications
Mixed anion halide-chalcogenide materials have recently attracted attention for a variety of
applications, owing to their desirable optoelectronic properties. We report the synthesis of a …

Correlated Anion Disorder in Heteroanionic Cubic TiOF2

C Legein, BJ Morgan, AG Squires, M Body… - Journal of the …, 2024 - ACS Publications
Resolving anion configurations in heteroanionic materials is crucial for understanding and
controlling their properties. For anion-disordered oxyfluorides, conventional Bragg diffraction …

Lead-free semiconductors: Phase-evolution and superior stability of multinary tin chalcohalides

AN Roth, AP Porter, S Horger… - Chemistry of …, 2024 - ACS Publications
Tin-based semiconductors are highly desirable materials for energy applications due to their
low toxicity and biocompatibility relative to analogous lead-based semiconductors. In …

Screening Mixed-Metal Sn2M(III)Ch2X3 Chalcohalides for Photovoltaic Applications

P Henkel, J Li, GK Grandhi, P Vivo… - Chemistry of …, 2023 - ACS Publications
Quaternary mixed-metal chalcohalides (Sn2M (III) Ch2X3) are emerging as promising lead-
free, perovskite-inspired photovoltaic absorbers. Motivated by recent developments of a first …

[PDF][PDF] easyunfold: A Python package for unfolding electronic band structures

B Zhu, SR Kavanagh, D Scanlon - Journal of Open Source Software, 2024 - joss.theoj.org
The electronic band structure is an important property for understanding and designing solid
crystalline materials in many fields such as photovoltaic, catalytic, thermoelectric and …

Exploring Chalcohalide Perovskite-Inspired Materials (Sn2SbX2I3; X = S or Se) for Optoelectronic and Spintronic Applications

M Kumar, S Sheoran… - The Journal of Physical …, 2023 - ACS Publications
Chalcohalide perovskite-inspired materials have attracted attention as promising
optoelectronic materials due to their small band gaps, high defect tolerance, nontoxicity, and …

[HTML][HTML] Comparing the influence of cation order and composition in simulated Zn (Sn, Ge) N2 on structure, elastic moduli, and polarization for solid state lighting

JJ Cordell, S Lany, MB Tellekamp - Journal of Applied Physics, 2024 - pubs.aip.org
Alloying and site ordering play complementary roles in dictating a material's properties.
However, deconvolving the impacts of these separate phenomena can be challenging. In …

Solution‐Processed Tin‐Antimony Quaternary Chalcohalides for Self‐Powered Broadband Photodetectors

D Manna, K Mokurala, GK Grandhi, B Al‐Anesi… - Solar …, 2024 - Wiley Online Library
The mixed‐metal quaternary chalcohalides of group IV and V elements are a promising
class of low‐toxicity perovskite‐inspired materials with tunable bandgaps and desirable …