Recent progress on the electronic structure, defect, and doping properties of Ga2O3

J Zhang, J Shi, DC Qi, L Chen, KHL Zhang - APL Materials, 2020 - pubs.aip.org
ABSTRACT Gallium oxide (Ga2O3) is an emerging wide bandgap semiconductor that has
attracted a large amount of interest due to its ultra-large bandgap of 4.8 eV, a high …

Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Efficient photo-Fenton reaction for tetracycline and antibiotic resistant bacteria removal using hollow Fe-doped In2O3 nanotubes: From theoretical research to practical …

F Li, P Wang, M Li, T Zhang, Y Li, S Zhan - Water Research, 2023 - Elsevier
The low exposure of active sites and the slow electron transfer rate still restrict the wide
application of the photo-Fenton system of Fe-based photocatalyst in practical water …

Parity-forbidden transitions and their impact on the optical absorption properties of lead-free metal halide perovskites and double perovskites

W Meng, X Wang, Z Xiao, J Wang… - The journal of physical …, 2017 - ACS Publications
Using density functional theory calculations, we analyze the optical absorption properties of
lead (Pb)-free metal halide perovskites (AB2+ X3) and double perovskites (A2B+ B3+ …

Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6

AE Maughan, AM Ganose, MM Bordelon… - Journal of the …, 2016 - ACS Publications
Vacancy-ordered double perovskites of the general formula A 2 BX 6 are a family of
perovskite derivatives composed of a face-centered lattice of nearly isolated [BX 6] units with …

P-type transparent conducting oxides

KHL Zhang, K Xi, MG Blamire… - Journal of Physics …, 2016 - iopscience.iop.org
Transparent conducting oxides constitute a unique class of materials combining properties
of electrical conductivity and optical transparency in a single material. They are needed for a …

The 2019 materials by design roadmap

K Alberi, MB Nardelli, A Zakutayev… - Journal of Physics D …, 2018 - iopscience.iop.org
Advances in renewable and sustainable energy technologies critically depend on our ability
to design and realize materials with optimal properties. Materials discovery and design …

Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

A Dolgonos, TO Mason, KR Poeppelmeier - Journal of solid state chemistry, 2016 - Elsevier
The direct optical band gap of semiconductors is traditionally measured by extrapolating the
linear region of the square of the absorption curve to the x-axis, and a variation of this …

Recent progress on the effects of impurities and defects on the properties of Ga 2 O 3

Y Wang, J Su, Z Lin, J Zhang, J Chang… - Journal of Materials …, 2022 - pubs.rsc.org
Ga2O3 is attractive for power devices and solar-blind ultraviolet photodetectors due to its
ultra-wide bandgap, large breakdown field, and favorable stability. However, it is difficult to …

Identification and design principles of low hole effective mass p-type transparent conducting oxides

G Hautier, A Miglio, G Ceder, GM Rignanese… - Nature …, 2013 - nature.com
The development of high-performance transparent conducting oxides is critical to many
technologies from transparent electronics to solar cells. Whereas n-type transparent …