Fast charging is considered to be a key requirement for widespread economic success of
electric vehicles. Current lithium‐ion batteries (LIBs) offer high energy density enabling …

The development and optimization of high‐performance anode materials for alkali metal ion
batteries is crucial for the green energy evolution. Atomic scale computational modeling …

Interface reaction between lithium (Li) and materials at the anode is not well understood in
an all-solid environment. This paper unveils a new phenomenon of constriction susceptibility …

In this work, we adopt first-principles calculations and ab-initio molecular dynamics
simulations to investigate the potential of borophene as an anode material for lithium-ion …

High energy lithium ion batteries are in demand for consumer electronics, electric-drive
vehicles and grid-scale stationary energy storage. Si is of great interest since it has 10 times …

We systematically investigate a novel two-dimensional nanomaterial, phosphorene, as an
anode for Na-ion batteries. Using first-principles calculations, we determine the Na …

Electrocatalysis is generally confined to dynamic liquid–solid and gas–solid interfaces and
is rarely applicable in solid-state reactions. Here, we report a paradigm shift strategy to …

In this work, we adopt a first-principles study to evaluate the potential of boron phosphide
(BP) monolayer as an anode material for alkali metal-based (eg, Li, Na and K) batteries. It is …

The energy density of Li-ion batteries depends critically on the specific charge capacity of
the constituent electrodes. Silicene, the silicon analogue to graphene, being of atomic …

Silicon is one of the most attractive anode materials for use in Li-ion batteries due to its∼ 10
times higher specific capacity than existing graphite anodes. However, up to 400% volume …