Metallic nanoparticles (NPs) constitute a new class of chemical objects which are used in
different fields as diverse as plasmonics, optics, catalysis, or biochemistry. The atomic …

Fixation of dinitrogen into ammonia is an essential biological process for the evolution of life,
and at the same time ammonia is an essential component for many industrial processes …

Recent developments allow heat capacities to be measured for size-selected clusters
isolated in the gas phase. For clusters with tens to hundreds of atoms, the heat capacities …

The construction of C–N bonds by the direct incorporation of dinitrogen (N2) instead of
ammonia (NH3) into active species is particularly desirable but has been rarely reported …

Reactions of gas-phase species with small molecules are being actively studied to
understand the elementary steps and mechanistic details of related condensed-phase …

The prevalent catalysts for natural and artificial N2 fixation are known to hinge upon
transition-metal (TM) elements. Herein, we demonstrate by density functional theory that Al …

Abstract Density Functional Theory (DFT) investigation on the most earth-abundant Al-based
catalysts, has been conducted detailing its electronic properties and catalytic efficacy for …

The successful sustenance of life demands an ambient abiotic process for N2 activation and
dissociation. The Bosch–Haber process remains the only abiotic and synthetic means for N2 …

Efficient reduction of nitrogen to ammonia at a minimal cost would require a recherche
catalyst tailored by assimilating the inherent electronic and reactive nature of Single Atom …

Nitrogen bond dissociation is one of the important steps in the Haber–Bosch process, where
N2 is catalytically converted to NH3; however, the dissociation of the nitrogen triple bond is …