There is growing interest in understanding how ions impact electrocatalytic reactions. Ions
can influence the interfacial water layer near the electrode, specifically adsorb to electrode …

The electrochemical conversion of biomass to high-value platform chemicals as a potential
means to reduce our reliance on crude oil offers environmental advantages, in comparison …

Electrochemical routes for the valorization of biomass-derived feedstock molecules offer
sustainable pathways to produce chemicals and fuels. However, the underlying reaction …

Hormonal drugs in biological samples are usually in low concentration and highly intrusive.
It is of great significance to enhance the sensitivity and specificity of the detection process of …

Bio-oil derived from fast pyrolysis of lignocellulosic biomass needs to be deoxygenated to
become a substitute for petroleum fuels. Here, we study the hydrodeoxygenation …

We present a combined simulation method of single-component artificial force induced
reaction (SC-AFIR) and effective screening medium combined with the reference interaction …

Metal–water interfaces are central to understanding aqueous-phase heterogeneous
catalytic processes. However, the explicit modeling of the interface is still challenging as it …

The free energy cost of forming a cavity in a solvent is a fundamental concept in rationalizing
the solvation of molecules and ions. A detailed understanding of the factors governing cavity …

Electrocatalytic reduction of organic halides and subsequent carboxylation are promising
methods for the valorization of CO2 as a C1 source in synthetic organic chemistry. The …

2, 4, 6-Trinitrotoluene (TNT) degradation is of interest in environmental remediation,
demilitarization, and national security. Electrochemical TNT reduction to 2, 4, 6 …