Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it
demands advances—at the materials, devices and systems levels—for the efficient …

Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Catalysis is at the core of chemistry and has been essential to make all the goods
surrounding us, including fuels, coatings, plastics and other functional materials. In the near …

Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …

For nearly a century, the Fischer–Tropsch (FT) reaction has been subject of intense debate.
Various molecular views on the active sites and on the reaction mechanism have been …

Most applications of machine learning in heterogeneous catalysis thus far have used black-
box models to predict computable physical properties (descriptors), such as adsorption or …

Electrocatalytic CO2 reduction has been developed as a promising and attractive strategy to
achieve carbon neutrality for sustainable chemical production. Among various reduction …

Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …

Adsorption energy (AE) of reactive intermediate is currently the most important descriptor for
electrochemical reactions (eg, water electrolysis, hydrogen fuel cell, electrochemical …

Recent years have witnessed an upsurge in the development of non-precious catalysts
(NPCs) for alkaline water electrolysis (AWE), especially with the strides made in …