[HTML][HTML] Molecular and heterogeneous water oxidation catalysts: recent progress and joint perspectives

J Li, CA Triana, W Wan, DPA Saseendran… - Chemical Society …, 2021 - pubs.rsc.org
The development of reliable water oxidation catalysts (WOCs) is essential for implementing
artificial photosynthesis on a large technological scale. WOC research has evolved into two …

Metal complexes of corrole

S Nardis, F Mandoj, M Stefanelli, R Paolesse - Coordination Chemistry …, 2019 - Elsevier
The coordination chemistry of corrole is one of the most intriguing aspects of this contracted
porphyrinoid, for both theoretical and practical reasons. Corrole, in fact, shows a remarkable …

An unconventional iron nickel catalyst for the oxygen evolution reaction

F Song, MM Busch, B Lassalle-Kaiser, CS Hsu… - ACS central …, 2019 - ACS Publications
The oxygen evolution reaction (OER) is a key process that enables the storage of renewable
energies in the form of chemical fuels. Here, we describe a catalyst that exhibits turnover …

[HTML][HTML] Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential

MJ Craig, G Coulter, E Dolan, J Soriano-López… - Nature …, 2019 - nature.com
A major roadblock in realizing large-scale production of hydrogen via electrochemical water
splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction …

The genesis of molecular volcano plots

MD Wodrich, B Sawatlon, M Busch… - Accounts of chemical …, 2021 - ACS Publications
Conspectus For the past two decades, linear free energy scaling relationships and volcano
plots have seen frequent use as computational tools that aid in understanding and …

New strategies for direct methane-to-methanol conversion from active learning exploration of 16 million catalysts

A Nandy, C Duan, C Goffinet, HJ Kulik - Jacs Au, 2022 - ACS Publications
Despite decades of effort, no earth-abundant homogeneous catalysts have been discovered
that can selectively oxidize methane to methanol. We exploit active learning to …

Beyond density functional theory: the multiconfigurational approach to model heterogeneous catalysis

CA Gaggioli, SJ Stoneburner, CJ Cramer… - ACS catalysis, 2019 - ACS Publications
Catalytic processes are crucially important for many practical chemical applications.
Heterogeneous catalysts are especially appealing because of their high stability and the …

Comparing electrocatalytic hydrogen and oxygen evolution activities of first-row transition metal complexes with similar coordination environments

X Jin, X Li, H Lei, K Guo, B Lv, H Guo, D Chen… - Journal of Energy …, 2021 - Elsevier
Developing cheap and efficient electrocatalysts for water splitting is required for energy
conversion techniques. Many first-row transition metal complexes have been shown to be …

Recent progress in the development of screening methods to identify electrode materials for the oxygen evolution reaction

KS Exner - Advanced Functional Materials, 2020 - Wiley Online Library
The oxygen evolution reaction (OER) limits the performance of proton‐exchange membrane
electrolyzers since substantial overpotentials of several hundred millivolts are required for …

Circumventing scaling relations in oxygen electrochemistry using metal–organic frameworks

T Sours, A Patel, J Nørskov… - The Journal of …, 2020 - ACS Publications
It has been well-established that unfavorable scaling relationships between* OOH,* OH,
and* O are responsible for the high overpotentials associated with oxygen electrochemistry …