Solar water splitting by means of photoelectrochemical (PEC) cells offers the promise to
produce cost-effective renewable and clean fuel from abundant sunlight and water. Lately …

The recent rise of computational, data-driven research has significant potential to accelerate
materials discovery. Automated workflows and materials databases are being rapidly …

Efficient algorithms to generate candidate crystal structures with good stability properties can
play a key role in data-driven materials discovery. Here, we show that a crystal diffusion …

The presence of 6s2 (5s2) lone-pair electrons on the B-site Pb (Sn) in all-inorganic and
hybrid halide ABX3 perovskites distinguishes these materials from the familiar tetrahedral …

Discovery of high-performance materials remains one of the most active areas in
photovoltaics (PV) research. Indirect band gap materials form the largest part of the …

Transparent conducting materials (TCMs) are required in many applications from solar cells
to transparent electronics. Develo** high performance materials combining the …

In the recent past, optoelectronic semiconductors have attracted significant research
attention both experimentally and theoretically toward large‐scale applications in energy …

The solar absorber is a key component in a solar cell as it captures photons and converts
them into electron–hole pairs. Its efficiency is driven by the carrier lifetime and the latter is …

Abstract The Atomic Simulation Recipes (ASR) is an open source Python framework for
working with atomistic materials simulations in an efficient and sustainable way that is …

This article addresses the challenges presented by photoelectrochemical solar fuels
technology in a discussion that begins with a functioning device and proceeds to the more …