Free energies of proton-coupled electron transfer reagents and their applications

RG Agarwal, SC Coste, BD Groff, AM Heuer… - Chemical …, 2021 - ACS Publications
We present an update and revision to our 2010 review on the topic of proton-coupled
electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and …

Perspectives on dye sensitization of nanocrystalline mesoporous thin films

K Hu, RN Sampaio, J Schneider… - Journal of the …, 2020 - ACS Publications
Recent advances in our mechanistic understanding of dye-sensitized electron transfer
reactions occurring at metal oxide interfaces are described. These advances were enabled …

Effect of proton transfer on electrocatalytic water oxidation by manganese phosphates

S Yang, X Li, Y Li, Y Wang, X Jin, L Qin… - Angewandte …, 2023 - Wiley Online Library
The effect of proton transfer on water oxidation has hardly been measurably established in
heterogeneous electrocatalysts. Herein, two isomorphous manganese phosphates …

Highly Efficient Photoelectrochemical Alkene Epoxidation on a Dye-Sensitized Photoanode

Y Zhu, X Li, Z Wen, R Zhao, Z Chen… - Journal of the …, 2024 - ACS Publications
In photoelectrochemical (PEC) cells, selective oxidation of organic substrates coupled with
hydrogen evolution represents a promising approach for value-added chemical production …

Direct evidence for a sequential electron transfer–proton transfer mechanism in the PCET reduction of a metal hydroxide catalyst

MC Kessinger, J Xu, K Cui, Q Loague… - Journal of the …, 2024 - ACS Publications
The proton-coupled electron transfer (PCET) mechanism for the reaction Mox–OH+ e–+
H+→ Mred–OH2 was determined through the kinetic resolution of the independent electron …

Tracking an FeV(O) Intermediate for Water Oxidation in Water

XZ Wei, TY Ding, Y Wang, B Yang, QQ Yang… - Angewandte …, 2023 - Wiley Online Library
High‐valent iron‐oxo species are appealing for conducting O− O bond formation for water
oxidation reactions. However, their high reactivity poses a great challenge to the dissection …

Unraveling a Concerted Proton-Coupled Electron Transfer Pathway in Atomically Precise Gold Nanoclusters

KY Huang, ZQ Yang, MR Yang, TS Chen… - Journal of the …, 2024 - ACS Publications
Metal nanoclusters (MNCs) represent a promising class of materials for catalytic carbon
dioxide and proton reduction as well as dihydrogen oxidation. In such reactions, multiple …

Electron transfer reorganization energies in the electrode–electrolyte double layer

RE Bangle, J Schneider, EJ Piechota… - Journal of the …, 2019 - ACS Publications
The total reorganization energy, λ, for interfacial electron transfer, ET, from a conductive
electrode to redox-active molecules at fixed positions within the electric double layer, EDL …

Reorganization Energies for Interfacial Proton-Coupled Electron Transfer to a Water Oxidation Catalyst

M Kessinger, AV Soudackov, J Schneider… - Journal of the …, 2022 - ACS Publications
The reorganization energy (λ) for interfacial electron transfer (ET) and proton-coupled ET
(PCET) from a conductive metal oxide (In2O3: Sn, ITO) to a surface-bound water oxidation …

Calculation of the Tafel slope and reaction order of the oxygen evolution reaction between pH 12 and pH 14 for the adsorbate mechanism

D Antipin, M Risch - Electrochemical Science Advances, 2023 - Wiley Online Library
Despite numerous experimental and theoretical studies devoted to the oxygen evolution
reaction (OER), the mechanism of the OER on transition metal oxides remains controversial …