Theoretical modeling of electrochemical proton-coupled electron transfer
RE Warburton, AV Soudackov… - Chemical …, 2022 - ACS Publications
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …
electrocatalytic processes. A vast array of theoretical and computational methods have been …
Molecular catalysts with diphosphine ligands containing pendant amines
Pendant amines play an invaluable role in chemical reactivity, especially for molecular
catalysts based on earth-abundant metals. As inspired by [FeFe]-hydrogenases, which …
catalysts based on earth-abundant metals. As inspired by [FeFe]-hydrogenases, which …
Electro-and solar-driven fuel synthesis with first row transition metal complexes
KE Dalle, J Warnan, JJ Leung, B Reuillard… - Chemical …, 2019 - ACS Publications
The synthesis of renewable fuels from abundant water or the greenhouse gas CO2 is a
major step toward creating sustainable and scalable energy storage technologies. In the last …
major step toward creating sustainable and scalable energy storage technologies. In the last …
A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s−1 for H2 Production
ML Helm, MP Stewart, RM Bullock, MR DuBois… - Science, 2011 - science.org
Reduction of acids to molecular hydrogen as a means of storing energy is catalyzed by
platinum, but its low abundance and high cost are problematic. Precisely controlled delivery …
platinum, but its low abundance and high cost are problematic. Precisely controlled delivery …
Development of molecular electrocatalysts for energy storage
DL DuBois - Inorganic chemistry, 2014 - ACS Publications
Molecular electrocatalysts can play an important role in energy storage and utilization
reactions needed for intermittent renewable energy sources. This manuscript describes …
reactions needed for intermittent renewable energy sources. This manuscript describes …
Nickel complexes as molecular catalysts for water splitting and CO2 reduction
JW Wang, WJ Liu, DC Zhong, TB Lu - Coordination Chemistry Reviews, 2019 - Elsevier
One of the most appealing strategies to address the problems of global warming and energy
shortage is to develop clean and sustainable energy source. To this end, considerable …
shortage is to develop clean and sustainable energy source. To this end, considerable …
Electrocatalytic hydrogen evolution in acidic water with molecular cobalt tetraazamacrocycles
A series of water-soluble molecular cobalt complexes of tetraazamacrocyclic ligands are
reported for the electrocatalytic production of H2 from pH 2.2 aqueous solutions. The …
reported for the electrocatalytic production of H2 from pH 2.2 aqueous solutions. The …
Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides
RM Bullock, AM Appel, ML Helm - Chemical Communications, 2014 - pubs.rsc.org
Generation of hydrogen by reduction of two protons by two electrons can be catalysed by
molecular electrocatalysts. Determination of the thermodynamic driving force for elimination …
molecular electrocatalysts. Determination of the thermodynamic driving force for elimination …
Singly versus doubly reduced nickel porphyrins for proton reduction: experimental and theoretical evidence for a homolytic hydrogen‐evolution reaction
Y Han, H Fang, H Jing, H Sun, H Lei… - Angewandte Chemie …, 2016 - Wiley Online Library
A nickel (II) porphyrin Ni‐P (P= porphyrin) bearing four meso‐C6F5 groups to improve
solubility and activity was used to explore different hydrogen‐evolution‐reaction (HER) …
solubility and activity was used to explore different hydrogen‐evolution‐reaction (HER) …
Homolytic versus heterolytic hydrogen evolution reaction steered by a steric effect
X Guo, N Wang, X Li, Z Zhang, J Zhao… - Angewandte Chemie …, 2020 - Wiley Online Library
Several H− H bond forming pathways have been proposed for the hydrogen evolution
reaction (HER). Revealing these HER mechanisms is of fundamental importance for the …
reaction (HER). Revealing these HER mechanisms is of fundamental importance for the …