Atomic‐scale design of anode materials for alkali metal (Li/Na/K)‐ion batteries: Progress and perspectives

E Olsson, J Yu, H Zhang, HM Cheng… - Advanced energy …, 2022 - Wiley Online Library
The development and optimization of high‐performance anode materials for alkali metal ion
batteries is crucial for the green energy evolution. Atomic scale computational modeling …

Visible-light driven heterojunction photocatalysts for water splitting–a critical review

SJA Moniz, SA Shevlin, DJ Martin, ZX Guo… - Energy & Environmental …, 2015 - pubs.rsc.org
Solar driven catalysis on semiconductors to produce clean chemical fuels, such as
hydrogen, is widely considered as a promising route to mitigate environmental issues …

[HTML][HTML] Towards oxide electronics: a roadmap

M Coll, J Fontcuberta, M Althammer, M Bibes… - Applied surface …, 2019 - Elsevier
At the end of a rush lasting over half a century, in which CMOS technology has been
experiencing a constant and breathtaking increase of device speed and density, Moore's …

Band alignment of rutile and anatase TiO2

DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin… - Nature materials, 2013 - nature.com
The most widely used oxide for photocatalytic applications owing to its low cost and high
activity is TiO2. The discovery of the photolysis of water on the surface of TiO2 in 1972 …

A detailed review of perovskite solar cells: Introduction, working principle, modelling, fabrication techniques, future challenges

S Bhattarai, A Mhamdi, I Hossain, Y Raoui… - Micro and …, 2022 - Elsevier
Researchers worldwide have been interested in perovskite solar cells (PSCs) due to their
exceptional photovoltaic (PV) performance. The PSCs are the next generation of the PV …

Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

MS Islam, CAJ Fisher - Chemical Society Reviews, 2014 - pubs.rsc.org
Energy storage technologies are critical in addressing the global challenge of clean
sustainable energy. Major advances in rechargeable batteries for portable electronics …

Ferroelectric materials for solar energy conversion: photoferroics revisited

KT Butler, JM Frost, A Walsh - Energy & Environmental Science, 2015 - pubs.rsc.org
The application of ferroelectric materials (ie solids that exhibit spontaneous electric
polarisation) in solar cells has a long and controversial history. This includes the first …

Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4

A Walsh, S Chen, SH Wei… - Advanced Energy …, 2012 - Wiley Online Library
Quaternary semiconducting materials based on the kesterite (A2BCX4) mineral structure are
the most promising candidates to overtake the current generation of light‐absorbing …

Stereochemistry of post-transition metal oxides: revision of the classical lone pair model

A Walsh, DJ Payne, RG Egdell… - Chemical Society Reviews, 2011 - pubs.rsc.org
The chemistry of post transition metals is dominated by the group oxidation state N and a
lower N-2 oxidation state, which is associated with occupation of a metal s2 lone pair, as …

Band alignment of the hybrid halide perovskites CH 3 NH 3 PbCl 3, CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3

KT Butler, JM Frost, A Walsh - Materials Horizons, 2015 - pubs.rsc.org
Organic–inorganic halide perovskites efficiently convert sunlight to electricity in solar cells.
The choice of halide (Cl, Br or I) can be used to chemically tune the spectral response of the …