MXenes for rechargeable batteries beyond the lithium‐ion
Research on next‐generation battery technologies (beyond Li‐ion batteries, or LIBs) has
been accelerating over the past few years. A key challenge for these emerging batteries has …
been accelerating over the past few years. A key challenge for these emerging batteries has …
[HTML][HTML] Renaissance of elemental phosphorus materials: properties, synthesis, and applications in sustainable energy and environment
The polymorphism of phosphorus-based materials has garnered much research interest,
and the variable chemical bonding structures give rise to a variety of micro and …
and the variable chemical bonding structures give rise to a variety of micro and …
Two-dimensional host materials for lithium-sulfur batteries: A review and perspective
Rechargeable lithium-sulfur (Li–S) batteries are considered as promising candidates for
next-generation energy storage devices due to their high capacity and high energy density …
next-generation energy storage devices due to their high capacity and high energy density …
Xenes as an emerging 2D monoelemental family: fundamental electrochemistry and energy applications
As an emerging subclass of 2D materials, Xenes (eg, borophene, silicene, germanene,
stanene, phosphorene, arsenene, antimonene, and bismuthene) consist of one single …
stanene, phosphorene, arsenene, antimonene, and bismuthene) consist of one single …
Atomic-scale insights into comparative mechanisms and kinetics of Na–S and Li–S batteries
The Na–S and Li–S batteries are in the forefront to supplant ubiquitously used lithium-ion
batteries. The understanding of mechanistic differences between Na–S and Li–S is critical to …
batteries. The understanding of mechanistic differences between Na–S and Li–S is critical to …
Sulfur-functionalized vanadium carbide MXene (V 2 CS 2) as a promising anchoring material for lithium–sulfur batteries
The development of lithium–sulfur (Li–S) batteries is hindered by capacity loss due to lithium
polysulfide (LIPS) dissolution into electrolyte solutions (known as the “shuttle effect”) …
polysulfide (LIPS) dissolution into electrolyte solutions (known as the “shuttle effect”) …
Revealing the potential of a C6BN/black phosphorene nanocomposite as an anode material for sodium-ion batteries by atomistic simulation: DFT and AIMD
Black phosphorus (BP) has recently been regarded as a promising anode for sodium-ion
batteries (SIBs) owing to its high storage capacity, rapid Na mobility in its lamellar structure …
batteries (SIBs) owing to its high storage capacity, rapid Na mobility in its lamellar structure …
Point defects in blue phosphorene
Using first-principles calculations, we investigate selected defects in blue phosphorene
(BlueP). For a single-vacancy (SV) defect, a 5–9 structure is energetically favorable, and for …
(BlueP). For a single-vacancy (SV) defect, a 5–9 structure is energetically favorable, and for …
Advanced Computational Methods in Lithium–Sulfur Batteries
Abstract Lithium–sulfur (Li–S) batteries, as one of the most promising “post‐Li‐ion” energy
storage devices, encounter several intrinsic challenges: polysulfide dissolution and shuttle …
storage devices, encounter several intrinsic challenges: polysulfide dissolution and shuttle …
Lattice constant-dependent anchoring effect of MXenes for lithium–sulfur (Li–S) batteries: a DFT study
The anchoring effect of the cathode plays a significant role in improving the performance of
lithium–sulfur (Li–S) batteries. MXenes, a new class of two-dimensional materials, have …
lithium–sulfur (Li–S) batteries. MXenes, a new class of two-dimensional materials, have …