Replacing fossil fuels with energy sources and carriers that are sustainable, environmentally
benign, and affordable is amongst the most pressing challenges for future socio-economic …

Significant progress has been made in recent years in theoretical modeling of the electric
double layer (EDL), a key concept in electrochemistry important for energy storage …

Electrochemistry has the potential to sustainably transform molecules with electrons
supplied by renewable electricity. It is one of many solutions towards a more circular …

Abstract 2D MXenes‐based nanoarchitectures are being actively explored for
electrocatalytic water splitting because they possess physical and physiochemical …

Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …

The Sabatier principle, which states that the binding energy between the catalyst and the
reactant should be neither too strong nor too weak, has been widely used as the key …

Electrocatalytic water splitting allows storing excess energy from renewable energy sources
such as wind and solar in chemical bonds of hydrogen molecules. So far, only polymer …

Electrochemical valorization of surplus biomass-derived feedstocks, such as glycerol, into
high-value chemicals offers a sustainable route for utilization of biomass resources and …

The development of highly efficient and durable earth-abundant hydrogen evolution reaction
(HER) catalysts is crucial for the extensive implementation of the hydrogen economy …

Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …