Artificial photosynthesis: opportunities and challenges of molecular catalysts

B Zhang, L Sun - Chemical Society Reviews, 2019 - pubs.rsc.org
Molecular catalysis plays an essential role in both natural and artificial photosynthesis (AP).
However, the field of molecular catalysis for AP has gradually declined in recent years …

Recent progress in oxidation chemistry of high-valent ruthenium-oxo and osmium-oxo complexes and related species

T Ishizuka, H Sugimoto, S Itoh, T Kojima - Coordination Chemistry Reviews, 2022 - Elsevier
Ruthenium and osmium complexes are playing important roles in stoichiometric and
catalytic oxidation reactions to achieve unique chemical conversion of inorganic and organic …

Ru-bda: Unique molecular water-oxidation catalysts with distortion induced open site and negatively charged ligands

B Zhang, L Sun - Journal of the American Chemical Society, 2019 - ACS Publications
A water-oxidation catalyst with high intrinsic activity is the foundation for developing any type
of water-splitting device. To celebrate its 10 years anniversary, in this Perspective we focus …

From Ru-bda to Ru-bds: a step forward to highly efficient molecular water oxidation electrocatalysts under acidic and neutral conditions

J Yang, L Wang, S Zhan, H Zou, H Chen… - Nature …, 2021 - nature.com
Significant advances during the past decades in the design and studies of Ru complexes
with polypyridine ligands have led to the great development of molecular water oxidation …

Electrostatic interactions accelerating water oxidation catalysis via intercatalyst O–O coupling

J Yi, S Zhan, L Chen, Q Tian, N Wang, J Li… - Journal of the …, 2021 - ACS Publications
Intercatalyst coupling has been widely applied in the functional mimics for binuclear synergy
in natural metal enzymes. Herein, we introduce two facile and effective design strategies …

Rational design rules for molecular water oxidation catalysts based on scaling relationships

J Hessels, RJ Detz, MTM Koper… - Chemistry–A European …, 2017 - Wiley Online Library
Lowering the overpotential required for water oxidation is of paramount importance for the
efficient production of carbon‐neutral fuels. This article highlights the intrinsic influence of …

Quantum chemical modeling of homogeneous water oxidation catalysis

RZ Liao, PEM Siegbahn - ChemSusChem, 2017 - Wiley Online Library
The design of efficient and robust water oxidation catalysts has proven challenging in the
development of artificial photosynthetic systems for solar energy harnessing and storage …

Isolation and identification of pseudo seven-coordinate Ru (III) intermediate completing the catalytic cycle of Ru-bda type of water oxidation catalysts

T Liu, G Li, N Shen, L Wang, BJJ Timmer… - CCS …, 2022 - chinesechemsoc.org
Isolation of RuIII-bda (17-electron specie) complex with an aqua ligand (2-electron donor) is
challenging due to violation of the 18-electron rule. Although considerable efforts have been …

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] Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

P Bauer, A Barrozo, M Purg, BA Amrein, M Esguerra… - SoftwareX, 2018 - Elsevier
Atomistic simulations have become one of the main approaches to study the chemistry and
dynamics of biomolecular systems in solution. Chemical modelling is a powerful way to …