Palladium alloys used as electrocatalysts for the oxygen reduction reaction
Palladium-based alloy materials as cathodes for the reduction of oxygen are regarded as
potential substitutes for platinum-based catalysts in fuel cells. In this work, we present a …
potential substitutes for platinum-based catalysts in fuel cells. In this work, we present a …
Implicit solvation methods for catalysis at electrified interfaces
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …
Pivotal role of reversible NiO6 geometric conversion in oxygen evolution
Realizing an efficient electron transfer process in the oxygen evolution reaction by modifying
the electronic states around the Fermi level is crucial in developing high-performing and …
the electronic states around the Fermi level is crucial in developing high-performing and …
Interfacing single-atom catalysis with continuous-flow organic electrosynthesis
The global warming crisis has sparked a series of environmentally cautious trends in
chemistry, allowing us to rethink the way we conduct our synthesis, and to incorporate more …
chemistry, allowing us to rethink the way we conduct our synthesis, and to incorporate more …
Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study
X Li, Z Su, Z Zhao, Q Cai, Y Li, J Zhao - Journal of Colloid and Interface …, 2022 - Elsevier
The development of highly-efficient electrocatalysts with bifunctional catalytic activity for
oxygen reduction reaction (ORR) and oxygen evolution reaction.(OER) still remains a great …
oxygen reduction reaction (ORR) and oxygen evolution reaction.(OER) still remains a great …
Advancing H 2 O 2 electrosynthesis: enhancing electrochemical systems, unveiling emerging applications, and seizing opportunities
Hydrogen peroxide (H2O2) is a highly desired chemical with a wide range of applications.
Recent advancements in H2O2 synthesis center on the electrochemical reduction of oxygen …
Recent advancements in H2O2 synthesis center on the electrochemical reduction of oxygen …
The ABC of generalized coordination numbers and their use as a descriptor in electrocatalysis
F Calle‐Vallejo - Advanced Science, 2023 - Wiley Online Library
The quest for enhanced electrocatalysts can be boosted by descriptor‐based analyses.
Because adsorption energies are the most common descriptors, electrocatalyst design is …
Because adsorption energies are the most common descriptors, electrocatalyst design is …
Modelling single atom catalysts for water splitting and fuel cells: A tutorial review
In this tutorial review we report the state-of-the-art of the modeling approaches of Single
Atom Catalysts (SAC) for water splitting and fuel cells reactions. The discussion applies for …
Atom Catalysts (SAC) for water splitting and fuel cells reactions. The discussion applies for …
Screening of transition metal-based MOF as highly efficient bifunctional electrocatalysts for oxygen reduction and oxygen evolution
X Chen, Y Li, X Zhao - Surfaces and Interfaces, 2023 - Elsevier
Designing efficient oxygen reduction reaction (ORR) and oxygen evolution reaction (OER)
electrocatalysts is momentous for energy storage and conversion, as well as sustainable …
electrocatalysts is momentous for energy storage and conversion, as well as sustainable …
Charge transfer and orbital reconstruction of non-noble transition metal single-atoms anchored on Ti2CTx-MXenes for highly selective CO2 electrochemical reduction
Inspired by MXene nanosheets and their regulation of surface functional groups, a series of
Ti 2 C-based single-atom electrocatalysts (TM@ Ti 2 CT x, TM= V, Cr, Mn, Fe, Co, and Ni) …
Ti 2 C-based single-atom electrocatalysts (TM@ Ti 2 CT x, TM= V, Cr, Mn, Fe, Co, and Ni) …