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 …

Probing the ionic defect landscape in halide perovskite solar cells

S Reichert, Q An, YW Woo, A Walsh, Y Vaynzof… - Nature …, 2020 - nature.com
Point defects in metal halide perovskites play a critical role in determining their properties
and optoelectronic performance; however, many open questions remain unanswered. In this …

High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers

D Dahliah, G Brunin, J George, VA Ha… - Energy & …, 2021 - pubs.rsc.org
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 …

Rapid recombination by cadmium vacancies in CdTe

SR Kavanagh, A Walsh, DO Scanlon - ACS Energy Letters, 2021 - ACS Publications
CdTe is currently the largest thin-film photovoltaic technology. Non-radiative electron–hole
recombination reduces the solar conversion efficiency from an ideal value of 32% to a …

Modelling interfaces in thin-film photovoltaic devices

MDK Jones, JA Dawson, S Campbell, V Barrioz… - Frontiers in …, 2022 - frontiersin.org
Developing effective device architectures for energy technologies—such as solar cells,
rechargeable batteries or fuel cells—does not only depend on the performance of a single …

Giant Huang–Rhys factor for electron capture by the iodine intersitial in perovskite solar cells

LD Whalley, P Van Gerwen, JM Frost… - Journal of the …, 2021 - ACS Publications
Improvement in the optoelectronic performance of halide perovskite semiconductors
requires the identification and suppression of nonradiative carrier trapping processes. The …

Impact of metastable defect structures on carrier recombination in solar cells

SR Kavanagh, DO Scanlon, A Walsh… - Faraday Discussions, 2022 - pubs.rsc.org
The efficiency of a solar cell is often limited by electron–hole recombination mediated by
defect states within the band gap of the photovoltaic (PV) semiconductor. The Shockley …

Low Barrier for Exciton Self-Trapping Enables High Photoluminescence Quantum Yield in Cs3Cu2I5

YK Jung, S Kim, YC Kim, A Walsh - The Journal of Physical …, 2021 - ACS Publications
The metal halide Cs3Cu2I5 displays anomalous optical properties: an optical absorption
onset in the ultraviolet region (∼ 330 nm) with highly efficient luminescence in the blue …

Upper efficiency limit of Sb 2 Se 3 solar cells

X Wang, SR Kavanagh, DO Scanlon, A Walsh - Joule, 2024 - cell.com
Summary Antimony selenide (Sb 2 Se 3) is at the forefront of an emerging class of
sustainable photovoltaic materials. Despite notable developments over the past decade, the …

doped: Python toolkit for robust and repeatable charged defect supercell calculations

SR Kavanagh, AG Squires, A Nicolson… - arXiv preprint arXiv …, 2024 - arxiv.org
Defects are a universal feature of crystalline solids, dictating the key properties and
performance of many functional materials. Given their crucial importance yet inherent …