Electrides are materials in which electrons serve as anions. Here, the concept of inorganic
electrides is extended in several respects: from ionic crystals to intermetallic compounds in …

Activating high-energy multiple bonds using earth-abundant metals is one of the most
significant challenges in catalysis. Here, we show that LaCoSi—a ternary intermetallic …

Ammonia (NH 3) is mainly produced via the Haber–Bosch process. It was discovered that
the performance of a wide variety of catalysts in NH 3 synthesis could be considerably …

Sustainable ammonia synthesis at ambient conditions that relies on renewable sources of
energy and feedstocks is globally sought to replace the Haber–Bosch process. Here, using …

Activation of high-energy triple-bonds of N2 is the most significant bottleneck of ammonia
synthesis under ambient conditions. Here, by importing cobalt single clusters as strong …

Electrochemical N2 reduction provides a promising alternative to the Haber–Bosch process
for sustainable ammonia production but enhancing its selectivity and activity remains a …

Nitrogen chemisorption is a prerequisite for efficient ammonia synthesis under ambient
conditions, but promoting this process remains a significant challenge. Here, by loading …

The existences of potential crystal structures of ZrB and ZrB2 are studied by means of first-
principles molecular dynamics calculations. The face-centered cubic ZrB (space group Fm …

First-principles calculations of β-SiC (111)/α-Ti (0001) interface have been performed and
the adhesion strength, interface energy, interfacial fracture toughness, and electronic …

A high bandgap is the most important factor impeding the development of ferroelectric
photovoltaic (FE-PV) materials. Finding a new FE-PV material with a narrow bandgap is thus …