Recent advances of noble-metal-free bifunctional oxygen reduction and evolution electrocatalysts
Oxygen reduction and evolution reactions constitute the core process of many vital energy
storage or conversion techniques. However, the kinetic sluggishness of the oxygen redox …
storage or conversion techniques. However, the kinetic sluggishness of the oxygen redox …
Combining machine learning and computational chemistry for predictive insights into chemical systems
Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …
by dramatically accelerating computational algorithms and amplifying insights available from …
Adsorption energy in oxygen electrocatalysis
Adsorption energy (AE) of reactive intermediate is currently the most important descriptor for
electrochemical reactions (eg, water electrolysis, hydrogen fuel cell, electrochemical …
electrochemical reactions (eg, water electrolysis, hydrogen fuel cell, electrochemical …
[HTML][HTML] The sabatier principle in electrocatalysis: Basics, limitations, and extensions
The Sabatier principle, which states that the binding energy between the catalyst and the
reactant should be neither too strong nor too weak, has been widely used as the key …
reactant should be neither too strong nor too weak, has been widely used as the key …
2D materials bridging experiments and computations for electro/photocatalysis
The exploration of catalysts for energy conversion lies at the center of sustainable
development. The combination of experimental and computational approaches can provide …
development. The combination of experimental and computational approaches can provide …
Electro-reduction of N2 on nanostructured materials and the design strategies of advanced catalysts based on descriptors
C Zhao, M Xi, J Huo, C He, L Fu - Materials Today Physics, 2022 - Elsevier
Ammonia is a key industry raw material for fertilizers, chemicals, and energy. The Haber-
Bosch process should be performed at high temperatures and pressures and may bring …
Bosch process should be performed at high temperatures and pressures and may bring …
Advancement of platinum (Pt)-free (non-Pt precious metals) and/or metal-free (non-precious-metals) electrocatalysts in energy applications: A review and perspectives
MD Bhatt, JY Lee - Energy & Fuels, 2020 - ACS Publications
The recent advances in platinum-free and/or metal-free electrocatalysts for electrochemical
redox reactions at the electrodes of fuel cells in particular and, broadly speaking, energy …
redox reactions at the electrodes of fuel cells in particular and, broadly speaking, energy …
Ab Initio Thermodynamics and Kinetics of the Lattice Oxygen Evolution Reaction in Iridium Oxides
Iridium-oxide-based catalysts are among the most active and stable materials for the anodic
oxygen evolution reaction (OER) in acidic media, but even their longevity represents an …
oxygen evolution reaction (OER) in acidic media, but even their longevity represents an …
Challenges and opportunities for renewable ammonia production via plasmon‐assisted photocatalysis
B Puértolas, M Comesaña‐Hermo… - Advanced Energy …, 2022 - Wiley Online Library
Despite its severe operating conditions, associated energy consumption, and environmental
concerns, the manufacture of nitrogen‐rich fertilizers still relies heavily on producing …
concerns, the manufacture of nitrogen‐rich fertilizers still relies heavily on producing …
Perspective on Theoretical Models for CO2 Electrochemical Reduction
The electrochemical reduction of CO2 (CO2RR) is a promising alternative to achieve carbon
neutrality and the sustainable development of human civilization. Rational design of …
neutrality and the sustainable development of human civilization. Rational design of …