Room-temperature ionic liquids (RTILs) have exciting properties such as nonvolatility, large
electrochemical windows, and remarkable variety, drawing much interest in energy storage …

Capacitive storage devices allow for fast charge and discharge cycles, making them the
perfect complements to batteries for high power applications. Many materials display …

Moderated thermal transformation of metal–organic frameworks (MOFs) empowers the
synthesis of nanomaterials with precisely controlled porosities and morphologies, leading to …

The exhaustion of fossil fuels and resultant pollution issues have prompted the world to look
to clean, nonpolluting hydrogen energy. The promising approach of the electrocatalytic …

Molecular dynamics (MD) simulations have become a powerful tool for investigating
electrical double layers (EDLs), which play a crucial role in various electrochemical devices …

New materials for electrochemical energy storage and conversion are the key to the
electrification and sustainable development of our modern societies. Molecular modelling …

Electrochemical energy storage always involves the capacitive process. The prevailing
electrode model used in the molecular simulation of polarizable electrode–electrolyte …

Elemental-doped is considered as an effective strategy to modulate the electronic structure
of Metallic MoS 2 (ie, 1T-MoS 2) and enhance its electrochemical performance. Herein, DFT …

The synergistic effect of transition metal doping and composite formation can be imperative
to improve the limited conductivity and inferior cyclic stability of MoS 2 for supercapacitors. In …

We describe a method for modeling constant-potential charges in heteroatomic electrodes,
keeping pace with the increasing complexity of electrode composition and nanostructure in …