Triple ionic–electronic conducting oxides for next-generation electrochemical devices

M Papac, V Stevanović, A Zakutayev, R O'Hayre - Nature materials, 2021 - nature.com
Triple ionic–electronic conductors (TIECs) are materials that can simultaneously transport
electronic species alongside two ionic species. The recent emergence of TIECs provides …

Accelerating the discovery of materials for clean energy in the era of smart automation

DP Tabor, LM Roch, SK Saikin, C Kreisbeck… - Nature reviews …, 2018 - nature.com
The discovery and development of novel materials in the field of energy are essential to
accelerate the transition to a low-carbon economy. Bringing recent technological …

Demonstration of ultrahigh thermoelectric efficiency of∼ 7.3% in Mg3Sb2/MgAgSb module for low-temperature energy harvesting

Z Liu, N Sato, W Gao, K Yubuta, N Kawamoto… - Joule, 2021 - cell.com
Thermoelectric harvesting of low-temperature waste heat offers great opportunities for
sustainable energy production. However, the investigations of related thermoelectric …

Wide band gap chalcogenide semiconductors

R Woods-Robinson, Y Han, H Zhang, T Ablekim… - Chemical …, 2020 - ACS Publications
Wide band gap semiconductors are essential for today's electronic devices and energy
applications because of their high optical transparency, controllable carrier concentration …

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

YT Huang, SR Kavanagh, DO Scanlon, A Walsh… - …, 2021 - iopscience.iop.org
Lead-halide perovskites have demonstrated astonishing increases in power conversion
efficiency in photovoltaics over the last decade. The most efficient perovskite devices now …

Imperfections are not 0 K: free energy of point defects in crystals

I Mosquera-Lois, SR Kavanagh, J Klarbring… - Chemical Society …, 2023 - pubs.rsc.org
Defects determine many important properties and applications of materials, ranging from
do** in semiconductors, to conductivity in mixed ionic–electronic conductors used in …

Review of computational approaches to predict the thermodynamic stability of inorganic solids

CJ Bartel - Journal of Materials Science, 2022 - Springer
Improvements in the efficiency and availability of quantum chemistry codes, supercomputing
centers, and open materials databases have transformed the accessibility of computational …

[HTML][HTML] Accelerating materials development via automation, machine learning, and high-performance computing

JP Correa-Baena, K Hippalgaonkar, J van Duren… - Joule, 2018 - cell.com
Successful materials innovations can transform society. However, materials research often
involves long timelines and low success probabilities, dissuading investors who have …

Phase boundary map** to obtain n-type Mg3Sb2-based thermoelectrics

S Ohno, K Imasato, S Anand, H Tamaki, SD Kang… - Joule, 2018 - cell.com
Zintl compounds make excellent thermoelectrics with many opportunities for chemically
tuning their electronic and thermal transport properties. However, the majority of Zintl …

Searching for “defect-tolerant” photovoltaic materials: combined theoretical and experimental screening

RE Brandt, JR Poindexter, P Gorai… - Chemistry of …, 2017 - ACS Publications
Recently, we and others have proposed screening criteria for “defect-tolerant” photovoltaic
(PV) absorbers, identifying several classes of semiconducting compounds with electronic …