Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicry

S Paul, F Neese, DA Pantazis - Green Chemistry, 2017 - pubs.rsc.org
The oxygen-evolving complex (OEC) in Photosystem II (PS-II) of oxygenic photosynthesis
catalyzes the oxidation of water into dioxygen, protons and electrons, a reaction that …

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 …

Iron (III) complexes for highly efficient and sustainable ketalization of glycerol: a combined experimental and theoretical study

R Esposito, U Raucci, ME Cucciolito, R Di Guida… - ACS …, 2019 - ACS Publications
The growing production of biodiesel as a promising alternative and renewable fuel led as
the main problem the dramatic increase of its by-product: glycerol. Different strategies for …

From enzymes to functional materials—towards activation of small molecules

F Möller, S Piontek, RG Miller… - Chemistry–A European …, 2018 - Wiley Online Library
The design of non‐noble metal‐containing heterogeneous catalysts for the activation of
small molecules is of utmost importance for our society. While nature possesses very …

Reactive intermediates involved in cobalt corrole catalyzed water oxidation (and oxygen reduction)

W Sinha, A Mizrahi, A Mahammed… - Inorganic …, 2018 - ACS Publications
A detailed investigation of the cobalt corrole Co (tpfc) as molecular catalyst for
electrochemical water oxidation uncovered many important mechanism-of-action details that …

Natural and Artificial Mn4Ca Cluster for the Water Splitting Reaction

C Chen, Y Li, G Zhao, R Yao, C Zhang - ChemSusChem, 2017 - Wiley Online Library
The oxygen‐evolving center (OEC) in photosystem II (PSII) is a unique biological catalyst
that splits water into electrons, protons, and O2 by using solar energy. Recent …

Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic tool

F Maschietto, M Campetella, J Sanz García… - The Journal of …, 2021 - pubs.aip.org
Transition Metal Complexes (TMCs) are known for the rich variety of their excited states
showing different nature and degrees of locality. Describing the energies of these excited …

Water oxidation catalyzed by a bioinspired tetranuclear manganese complex: Mechanistic study and prediction

M Li, RZ Liao - ChemSusChem, 2022 - Wiley Online Library
Density functional theory calculations were utilized to elucidate the water oxidation
mechanism catalyzed by polyanionic tetramanganese complex a [MnIII3MnIVO3 (CH3COO) …

What can we learn from a biomimetic model of nature's oxygen-evolving complex?

S Paul, N Cox, DA Pantazis - Inorganic chemistry, 2017 - ACS Publications
A recently reported synthetic complex with a Mn4CaO4 core represents a remarkable
structural mimic of the Mn4CaO5 cluster in the oxygen-evolving complex (OEC) of …

Mimicking Thylakoid Membrane with Chlorophyll/TiO2/Lipid Co-Assembly for Light-Harvesting and Oxygen Releasing

S Shen, Y Wang, J Dong, R Zhang… - … Applied Materials & …, 2021 - ACS Publications
There is a growing interest in the design and construction of artificial photosythetic materials
for solar energy utilization and conversion. Inspired by the structure of thylakoid membrane …