Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …
enable a sustainable future. However, its complexity makes it challenging to accurately and …
Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction
TE Jones, D Teschner, S Piccinin - Chemical Reviews, 2024 - ACS Publications
The electrocatalytic oxygen evolution reaction (OER) supplies the protons and electrons
needed to transform renewable electricity into chemicals and fuels. However, the OER is …
needed to transform renewable electricity into chemicals and fuels. However, the OER is …
First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones
Using reference reduction potentials of quinones recently measured relative to the saturated
calomel electrode (SCE) in N, N-dimethylformamide (DMF), we benchmark absolute one …
calomel electrode (SCE) in N, N-dimethylformamide (DMF), we benchmark absolute one …
Polymeric-based ternary solid-state electrolytes for Lithium-ion batteries. Computer modeling of solid-state batteries
MCMLV Lucas - 2023 - repositorium.sdum.uminho.pt
The increasing demand for energy necessitates technological measures, particularly the
development of energy storage devices such as batteries. Nowadays, lithium-ion batteries …
development of energy storage devices such as batteries. Nowadays, lithium-ion batteries …
[HTML][HTML] Is the∗ O vs.∗ OH scaling relation intercept more relevant than the∗ OOH vs.∗ OH intercept to capture trends in the oxygen evolution reaction?
The transition from fossil fuels to renewable energy sources is inevitable, and
electrocatalytic water splitting to produce hydrogen is one of the core processes that must be …
electrocatalytic water splitting to produce hydrogen is one of the core processes that must be …