Electrochemical C–N coupling reactions based on abundant small molecules (such as CO2
and N2) have attracted increasing attention as a new “green synthetic strategy” for the …

Global ammonia production reached 175 million metric tons in 2016, 90% of which is
produced from high purity N2 and H2 gases at high temperatures and pressures via the …

The production of ammonia (NH3) from molecular dinitrogen (N2) under mild conditions is
one of the most attractive topics in the field of chemistry. Electrochemical reduction of N2 is …

Electrochemical water splitting driven by sustainable energy such as solar, wind, and tide is
attracting ever‐increasing attention for sustainable production of clean hydrogen fuel from …

Alkanes are the major constituents of natural gas and crude oil, the feedstocks for the
chemical industry. The efficient and selective activation of C–H bonds can convert abundant …

Adsorption is essential for many processes on surfaces; therefore, an accurate prediction of
adsorption properties is demanded from both fundamental and technological points of view …

In the search for new functional materials, quantum mechanics is an exciting starting point.
The fundamental laws that govern the behaviour of electrons have the possibility, at the …

Chlorine gas and sodium chlorate are two base chemicals produced through electrolysis of
sodium chloride brine which find uses in many areas of industrial chemistry. Although the …

High-throughput screening of catalysts can be performed using density functional theory
calculations to predict catalytic properties, often correlated with adsorbate binding energies …

Due to conversion equilibrium between solvent and H-and O-containing adsorbates, the true
surface state of a catalyst under a particular electrochemical condition is often overlooked in …