CO 2 electroreduction on single atom catalysts: the role of the DFT functional
One key process involving single atom catalysts (SACs) is the electroreduction of CO2 to
fuels. The chemistry of SACs differs largely from that of extended catalytic surfaces …
fuels. The chemistry of SACs differs largely from that of extended catalytic surfaces …
Key Ingredients for the Screening of Single Atom Catalysts for the Hydrogen Evolution Reaction: The Case of Titanium Nitride
A computational screening of Single Atom Catalysts (SACs) bound to titanium nitride (TiN) is
presented, for the Hydrogen Evolution Reaction (HER), based on density functional theory …
presented, for the Hydrogen Evolution Reaction (HER), based on density functional theory …
[HTML][HTML] CO2 electroreduction on single atom catalysts: Role of the local coordination
S Emken, G Di Liberto, G Pacchioni - Electrochimica Acta, 2024 - Elsevier
Abstract Single Atom Catalysts (SACs) are a new frontier in catalysis, merging the positive
aspects of both homogeneous and heterogenous catalysts. CO 2 electrochemical reduction …
aspects of both homogeneous and heterogenous catalysts. CO 2 electrochemical reduction …
Theoretically Insight into Co and S Pairs Dispersed on N‐Doped Graphene: Promising Bifunctional Electrocatalysts for Oxygen Reduction/Evolution Reactions
Single atom catalysts (SACs) are considered as efficient catalysts for hydrogen‐based
energy conversion and storage because of their excellent catalytic performance for oxygen …
energy conversion and storage because of their excellent catalytic performance for oxygen …
Electrochemical Nitrogen Reduction Reaction from Ab Initio Thermodynamics: Single versus Dual Atom Catalysts
I Barlocco, M Spotti, GD Liberto… - Advanced Theory and … - Wiley Online Library
The electrochemical nitrogen reduction reaction (NRR) is a key process for the energy
transition. Transition metal atoms atomically dispersed on a solid support represent a …
transition. Transition metal atoms atomically dispersed on a solid support represent a …
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 …