Sodium-ion batteries are expected to be more affordable for stationary applications than
lithium-ion batteries, while still offering sufficient energy density and operational capacity to …

Fragmentation and embedding schemes are of great importance when applying quantum-
chemical calculations to more complex and attractive targets. The divide-and-conquer (DC) …

Glass fiber reinforced polymer (GFRP) rebar has attracted widespread attention in
construction industries to mitigate steel corrosion problems which significantly affect the …

Many energy conversion technologies comprise proton-coupled electron transfer reactions
that consume/produce protons at electrode surfaces, thereby generating interfacial pH …

Accurate modeling of highly concentrated aqueous solutions, such as water-in-salt (WiS)
electrolytes in battery applications, requires proper consideration of polarization …

Herein, a series of manganese-based NASICON structured Na 1+ 2x Mn x Ti 2-x (PO 4) 3
(x= 1, 1.2, 1.4, denoted as NMTP, NM 1.2 T 0.8 P and NM 1.4 T 0.6 P) are obtained by sol …

Offering a compelling combination of safety and cost-effectiveness, water-in-salt (WiS)
electrolytes have emerged as promising frontiers in energy storage technology. Still, there is …

Polymer electrolyte is a crucial component of solid‐state‐lithium‐ion batteries that role both
as separators and electrolytes. The host polymer and lithium salt selection are crucial for …

The aqueous aluminum–air (Al–air) battery demonstrates promising applications in energy
storage and conversion due to its high energy density and cost effectiveness. Nevertheless …

We investigated the performance of the computationally effective GFN2-xTB approach in
molecular dynamics (MD) simulations of liquid electrolytes for lithium/sodium batteries. The …