Ammonia is an efficient and clean hydrogen carrier that promises to tackle the increasing
energy and environmental problems. However, more than 90% of ammonia is produced by …

Efforts towards global decarbonization rely on changes in chemical production, one critical
process for nutrition and potential future hydrogen energy vectors is nitrogen fixation to …

Abstract Two-dimensional (2D) B 2 O monolayer is considered as a potential hydrogen
storage material owing to its lower mass density and high surface-to-volume ratio. The …

Density functional theory (DFT) based computational methods have shown great
significance in developing high-performance electrocatalysts. In this perspective, we briefly …

Abstract Two-dimensional (2D) materials have recently attracted much attention in the field
of hydrogen storage, owing to their beneficial properties such as high surface-to-volume …

Abstract Whilst the Mars-van Krevelen mechanism is well established for metal oxide
catalysed oxidation reactions, it has been much less studied in the case of nitrogen based …

The present article describes an efficient photoelectrode material consisting of cobalt
phthalocyanine tetrasulfonamide (CoPcS) chemically attached to carboxylated graphene …

Hydrogen storage properties of Li functionalized B 2 S honeycomb monolayers are studied
using density functional theory calculations. The binding of H 2 molecules to the clean B 2 S …

The hydrogen storage performance of Li functionalized B 4 N re-entrant honeycomb
monolayer is investigated by using density functional theory calculations. The calculated …

The ammonia production properties upon reduction in hydrogen of the anti-perovskite
nitrides Co 3 ZnN, Ni 3 ZnN, Co 3 InN, and Ni 3 InN have been investigated. Single phases …