This contribution delivers the perspectives of ammonia for a clean energy future and
examines the potential, achievements, and associated challenges of ammonia for power …

Atomistic simulation of the electrochemical double layer is an ambitious undertaking,
requiring quantum mechanical description of electrons, phase space sampling of liquid …

Scaling relationships are theoretical constructs that relate the binding energies of a wide
variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are …

The facile decomposition of ammonia to produce hydrogen is critical to its use as a
hydrogen storage medium in a hydrogen economy, and although ruthenium shows good …

Heterogeneous catalysis is a chemical process achieved at solid–gas or solid–liquid
interfaces. Many factors including the particle size, shape and metal-support interfaces can …

Dense palladium membranes have increasing interest for ultra-pure hydrogen production
compared to established technologies such as pressure swing adsorption and cryogenic …

First-principle calculations, especially by the density functional theory (DFT), is used to study
the structure and properties of oxygen/metal interfaces. Adsorption of oxygen molecules or …

Single atom alloys are gaining importance as atom-efficient catalysts which can be
extremely selective and active towards the formation of desired products. They possess such …

Using a combination of low-temperature scanning tunneling microscopy and density
functional theory it is demonstrated how the nature of an inert host metal of an alloy can …

Alloys play a crucial role in several heterogeneous catalytic processes, and their
applications are expected to rise rapidly. This is essentially related to the vast number of …