Environmental electrocatalysis has a wide range of applications at the water-energy nexus
and will play a key role in mitigating climate change. Performance and selectivity of …

Currently, computational models based on density functional theory (DFT) are intensively
used for the analysis of electrocatalytic reactions and the design of enhanced catalysts. As …

Co-electrolysis of carbon oxides and nitrogen oxides promise to simultaneously help restore
the balance of the C and N cycles while producing valuable chemicals such as urea …

Sustainable and energy-efficient ammonia production requires facile nitrogen reduction for
hydrogen preservation and inorganic fertilizers. A nitrogen reduction apparatus with optimal …

Abstract The Haber-Bosch process for NH 3 production is one of the largest global energy
consumers. Despite improvements over the past century, developing catalysts with …

Oxidized nitrogen species can pollute both the atmos-phere 1− 3 and water bodies. 4− 6
Their concentrations are worryingly increasing because of anthropogenic activities such as …

Fuel cells based on 2-propanol can be used to produce electricity utilizing the hydrogen
stored in liquid organic hydrogen carriers. While the focus has previously been on acidic …

Developing efficient and light pollution electrocatalytic nitrogen reduction reaction (NRR)
method for dinitrogen (N 2) fixation is a very important and challenging issue in the field of …

Ammonia (NH3) and hydroxylamine (NH2OH) are important feedstocks in the chemical
industry. Electrocatalytic reduction of nitric oxide (eNORR) to these chemical feedstocks is …

Large deviations are often observed between DFT-calculated equilibrium potentials and
experimental ones. The deviations can be minimised by semiempirical or fully theoretical …