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
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 …
Electrocatalytic Activity of Bimetallic Transition Metal Oxides for O2 Evolution Reactions
S Singh, N Karmodak - ACS Applied Energy Materials, 2024 - ACS Publications
O2 evolution reaction at the anodic half-cell forms the bottleneck for the electrochemical
water-splitting reaction. Efficient electrocatalysts composed of earth-abundant materials are …
water-splitting reaction. Efficient electrocatalysts composed of earth-abundant materials are …
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 …
Tuning the product selectivity of single-atom catalysts for CO 2 reduction beyond CO formation by orbital engineering
Electrochemical CO2 reduction (CO2R) is one of the promising strategies for develo**
sustainable energy resources. Single-atom catalysts (SACs) have emerged as efficient …
sustainable energy resources. Single-atom catalysts (SACs) have emerged as efficient …
[HTML][HTML] Degree of span control to determine the impact of different mechanisms and limiting steps: Oxygen evolution reaction over Co3O4 (001) as a case study
Oxygen evolution reaction (OER) is the limiting process in electrolyzers for the production of
green hydrogen. Although computational studies using density functional theory calculations …
green hydrogen. Although computational studies using density functional theory calculations …
[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 …
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 …
Polymeric-Based Ternary Solid-State Electrolytes for Lithium-Ion Batteries: Computer Modeling of Solid-State Batteries
MCML Vinagre - 2023 - search.proquest.com
A crescente exigência energética requer a toma de medidas ao nível tecnológico,
nomeadamente o desenvolvimento de aparelhos com capacidade de armazenamento de …
nomeadamente o desenvolvimento de aparelhos com capacidade de armazenamento de …