Isolated transition metal clusters have been established as useful models for extended metal
surfaces or deposited metal particles, to improve the understanding of their surface …

The ability to capture radioactive iodine species is crucial for nuclear accident preparedness
and nuclear waste treatment; however, it remains a challenge. Here we report a new readily …

An alternative response function, based on the dual descriptor in terms of Koopmans'
approximation, is hereby proposed for the description of chemical reactivity in systems with …

Efficient electroreduction of CO2 to multicarbon products is a complicated reaction because
of the high energy barriers for the CO2 activation and C–C coupling. Here, we design a …

The sensing properties of SnO 2 based CO gas sensors can be affected by ambient humidity
and oxygen pressure. In this study the effect of oxygen vacancy along with the adsorption …

The vibrational spectrum of a single carbon monoxide molecule, adsorbed on the tip apex of
a scanning tunneling microscope, is used to image electrostatic fields with submolecular …

Methanol is a key chemical in C1 chemistry and energy carrier. The industrial synthesis of
methanol uses a heterogeneous catalyst, Cu/ZnO/Al2O3, under harsh conditions of high …

We performed a comprehensive analysis of intermolecular carbonyl–carbonyl interactions in
transition-metal complexes. Those interactions can be classified in two main types …

Metal ion-based nanocomposite materials were recognized to exhibit a wide range of
photocatalytic and biological applications. This study aims to synthesize zinc oxide doped …

The σ-hole⋯ σ-hole stacking interaction, an unrecognized type of noncovalent interaction,
has been found to be present in large quantities in the Cambridge Structural Database. In …