Strategic factors to design the next generation of molecular water oxidation catalysts: Lesson learned from ruthenium complexes

A Ghaderian, S Kazim, MK Nazeeruddin… - Coordination Chemistry …, 2022 - Elsevier
Energy conversion through sustainable means is essential to counter global warming and
an urgent solution through a multidisciplinary approach is required. The temperature change …

[HTML][HTML] Design principles for homogeneous water oxidation catalysts based on first–row transition metals

D den Boer, DGH Hetterscheid - Current Opinion in Electrochemistry, 2022 - Elsevier
The development of homogeneous first–row transition metal (FRTM) catalysts for the water
oxidation reaction is considerably more challenging than for second and third-row catalysts …

Unusual water oxidation mechanism via a redox-active copper polypyridyl complex

D den Boer, AI Konovalov, MA Siegler… - Inorganic …, 2023 - ACS Publications
To improve Cu-based water oxidation (WO) catalysts, a proper mechanistic understanding of
these systems is required. In contrast to other metals, high-oxidation-state metal–oxo …

Correlations between the Electronic Structure and Energetics of the Catalytic Steps in Homogeneous Water Oxidation Catalysis

D den Boer, DGH Hetterscheid - Journal of the American …, 2023 - ACS Publications
The development of an efficient electrocatalyst for the water oxidation reaction is limited by
unfavorable scaling relations between catalytic intermediates, resulting in an overpotential …

Probing the free energy landscape of organophotoredox-catalyzed anti-Markovnikov hydrofunctionalization of alkenes

SC Mallojjala, VO Nyagilo, SA Corio… - Journal of the …, 2022 - ACS Publications
Experimental 13C kinetic isotope effects (KIEs) provide unprecedented mechanistic insight
into three intermolecular anti-Markovnikov alkene hydrofunctionalization reactions─ …

Computational characterization of single-electron transfer steps in water oxidation

A de Aguirre, I Funes-Ardoiz, F Maseras - Inorganics, 2019 - mdpi.com
The presence of single-electron transfer (SET) steps in water oxidation processes catalyzed
by first-row transition metal complexes has been recently recognized, but the computational …

Electronic Structure Variations of Cu‐Based Water Oxidation Catalysts Bearing Redox‐Active Ligands

D Den Boer, H Stegman, CJC Peeters… - European Journal of …, 2024 - Wiley Online Library
The physical and electrochemical properties of a series of Cu complexes bearing redox‐
active ligands were investigated. The effect of the geometry and electronic structure on the …

Ligand Tuning in Cu(pyalk)2 Water Oxidation Electrocatalysis

CC Cody, ZN Caes, MD Capobianco, BQ Mercado… - Inorganics, 2023 - mdpi.com
Molecular copper water oxidation electrocatalysts have been extensively studied in recent
years for their potential use in artificial photosynthetic systems for solar energy conversion …

[PDF][PDF] Transformations of Energy-Related Small Molecules at Dinuclear Complexes

J Lücken - 2021 - ediss.uni-goettingen.de
The urgent need for the development of carbon-neutral energy conversion schemes has
inspired chemists worldwide to investigate catalytic water splitting using sunlight as the …

[PDF][PDF] Design of homogeneous ater oxidation electrocatal sts

D Boer - 2022 - scholarlypublications …
Design of homogeneous ater oxidation electrocatal sts Page 1 Design of homogeneous ater
oxidation electrocatal sts Boer, D. den Citation Boer, D. den. (2022, December 1). . Retrie ed …