Modeling Operando Electrochemical CO2 Reduction

F Dattila, RR Seemakurthi, Y Zhou, N López - Chemical Reviews, 2022 - ACS Publications
Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …

A vast exploration of improvising synthetic strategies for enhancing the OER kinetics of LDH structures: a review

A Karmakar, K Karthick, SS Sankar… - Journal of Materials …, 2021 - pubs.rsc.org
In the last few decades, layered double hydroxide (LDH) based materials have been given a
lot of attention to the researchers due to significant advances in enabling efficient oxygen …

Cooperative Fe sites on transition metal (oxy) hydroxides drive high oxygen evolution activity in base

Y Ou, LP Twight, B Samanta, L Liu, S Biswas… - Nature …, 2023 - nature.com
Fe-containing transition-metal (oxy) hydroxides are highly active oxygen-evolution reaction
(OER) electrocatalysts in alkaline media and ubiquitously form across many materials …

NiFe‐based (oxy) hydroxide catalysts for oxygen evolution reaction in non‐acidic electrolytes

F Dionigi, P Strasser - Advanced Energy Materials, 2016 - Wiley Online Library
NiFe‐based (oxy) hydroxides are highly active catalysts for the oxygen evolution reaction in
alkaline electrolyte solutions. These catalysts can be synthesized in different ways leading to …

Why do batteries fail?

MR Palacín, A de Guibert - Science, 2016 - science.org
BACKGROUND We are all familiar with the importance of mobile power sources
(automobile batteries, cell phone batteries, etc.) and their seeming tendency to malfunction …

Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiOx

YF Li, A Selloni - Acs Catalysis, 2014 - ACS Publications
Mixed nickel–iron oxides have recently emerged as promising electrocatalysts for water
oxidation because of their low cost and high activity, but the composition and structure of the …

Low-spin state of Fe in Fe-doped NiOOH electrocatalysts

ZD He, R Tesch, MJ Eslamibidgoli, MH Eikerling… - Nature …, 2023 - nature.com
Doping with Fe boosts the electrocatalytic performance of NiOOH for the oxygen evolution
reaction (OER). To understand this effect, we have employed state-of-the-art electronic …

Recent advances in rechargeable battery materials: a chemist's perspective

MR Palacin - Chemical Society Reviews, 2009 - pubs.rsc.org
The constant increase in global energy demand, together with the awareness of the finite
supply of fossil fuels, has brought about an imperious need to take advantage of renewable …

The role of Fe species on NiOOH in oxygen evolution reactions

Y Zhou, N López - ACS Catalysis, 2020 - ACS Publications
The Pourbaix diagram of Ni electrodes under reaction conditions presents several
metastable NiO x H y phases and Fe doping enlarges the stability area of oxyhydroxo …

Structural and Electronic Features of β-Ni(OH)2 and β-NiOOH from First Principles

AJ Tkalych, K Yu, EA Carter - The Journal of Physical Chemistry C, 2015 - ACS Publications
NiO x, long studied for its use in nickel-based secondary batteries, has been the subject of
much recent interest due to its efficacy as an oxygen evolution catalyst. Despite extensive …