Atomically dispersed metal catalysts for the oxygen reduction reaction: synthesis, characterization, reaction mechanisms and electrochemical energy applications

M Liu, L Wang, K Zhao, S Shi, Q Shao… - Energy & …, 2019 - pubs.rsc.org
In recent years, atomically dispersed metal catalysts (ADMCs) with well-defined structures
have attracted great interest from researchers for electrocatalytic applications due to their …

Hydrogen production through photoreforming processes over Cu2O/TiO2 composite materials: A mini-review

M Muscetta, R Andreozzi, L Clarizia, I Di Somma… - International Journal of …, 2020 - Elsevier
Cu 2 O is a promising low-cost semiconductor exhibiting a narrow band gap. The
combination of p-type Cu 2 O with n-type TiO 2 results in a pn heterojunction highly …

How covalence breaks adsorption-energy scaling relations and solvation restores them

F Calle-Vallejo, A Krabbe, JM García-Lastra - Chemical science, 2017 - pubs.rsc.org
It is known that breaking the scaling relations between the adsorption energies of* O,* OH,
and* OOH is paramount in catalyzing more efficiently the reduction of O2 in fuel cells and its …

Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

N Govindarajan, JM García-Lastra, EJ Meijer… - Current Opinion in …, 2018 - Elsevier
Highlights•Adsorption-energy scaling relations may limit the efficiency of
electrocatalysts.•For O 2 evolution/reduction,* OOH vs* OH scaling is believed to cause …

Importance of solvation for the accurate prediction of oxygen reduction activities of Pt-based electrocatalysts

ZD He, S Hanselman, YX Chen… - The Journal of …, 2017 - ACS Publications
Platinum and its alloys are active catalysts for the oxygen reduction reaction (ORR). 1 The
origin of their high activity and new directions for their enhancement have been provided in …

Affordable estimation of solvation contributions to the adsorption energies of oxygenates on metal nanoparticles

F Calle-Vallejo, R F. de Morais, F Illas… - The Journal of …, 2019 - ACS Publications
Electrocatalysts are mainly characterized by their intrinsic adsorption properties. However,
the observed electrocatalytic activity ultimately results from the interplay between such …

Solvent–adsorbate interactions and adsorbate-specific solvent structure in carbon dioxide reduction on a stepped Cu surface

T Ludwig, JA Gauthier, KS Brown, S Ringe… - The Journal of …, 2019 - ACS Publications
In this work, the structure of water and its interactions with various carbon dioxide reduction
intermediates adsorbed on a Cu (211) surface is investigated using density functional …

Accounting for Bifurcating Pathways in the Screening for CO2 Reduction Catalysts

F Calle-Vallejo, MTM Koper - ACS Catalysis, 2017 - ACS Publications
In view of the innumerable interrelated variables at the nano, micro, and macro scales,
existing models in catalysis do not yet fully account for the extraordinary complexity of real …

Nature of highly active electrocatalytic sites for the hydrogen evolution reaction at Pt electrodes in acidic media

MD Pohl, S Watzele, F Calle-Vallejo… - ACS …, 2017 - ACS Publications
The hydrogen evolution reaction (HER) is one of the two processes in electrolytic water
splitting. Known for more than two centuries, the HER still receives great attention in …

Ice nucleation on a corrugated surface

C Lin, G Corem, O Godsi… - Journal of the …, 2018 - ACS Publications
Heterogeneous ice nucleation is a key process in many environmental and technical fields
and is of particular importance in modeling atmospheric behavior and the Earth's climate …