Superior anchoring effect of a Cu-benzenehexathial MOF as an aluminium–sulfur battery cathode host

Abstract

A Cu-BHT MOF as a suitable cathode host for aluminium–sulfur batteries.

Unraveling the Anchoring Effect of MXene-Supported Single Atoms as Cathodes for Aluminum–Sulfur Batteries

“…, the E b values of S 8 *, Al 2 S 18 *, Al 2 S 12 *, Al 2 S 6 *, and Al 2 S 3 * were −1.81, −2.18, −1.22, −4.18, and −2.97 eV, respectively, in the range of −1.81 to −4.18 eV. A previous study demonstrated that the E b values of S 8 and Al 2 S n species on Cu-BHT MOF were in the range of −1.11 to −3.56 eV and −0.76 to −0.87 eV for the graphene structure 23. This indicated that Ag@Ti 3 C 2 O 2, as a sulfur host, had the ability to adsorb S 8 and Al 2 S n species.…”

“…16−22 Inspired by this, Bhauriyal et al studied the binding strength between Al 2 S n and Cu-benzeneheaxthial (Cu-BHT) MOF by using DFT calculations, suggesting that Cu-BHT MOF could be used as a promising sulfur host for Al−S batteries. 23 However, the interaction mechanism and Al 2 S n conversion remain unclear. First, the main evaluation of sulfur hosts is the binding strength (adsorption energy), and it is generally believed that the stronger the binding is, the better.…”

“…A number of studies have been carried out to provide microscopic insights into the interaction features between sulfur hosts and Li 2 S n and the design of cathode materials based on density functional theory (DFT), showing the effectiveness of theoretical simulations in selecting suitable sulfur hosts and estimating the chemical energy barrier of sulfur reduction. − Inspired by this, Bhauriyal et al studied the binding strength between Al 2 S n and Cu-benzeneheaxthial (Cu-BHT) MOF by using DFT calculations, suggesting that Cu-BHT MOF could be used as a promising sulfur host for Al–S batteries . However, the interaction mechanism and Al 2 S n conversion remain unclear.…”

Exploration of the Unique Structural Chemistry of Sulfur Cathode for High‐Energy Rechargeable Beyond‐Li Batteries

“…[ 225 ] Due to price fluctuations and constraints in the supply of cobalt, the momentum of using electric vehicles and grid‐storage applications has come to a standstill which has prompted the researchers to seek alternative cost‐efficient metals. [ 226,227 ] As a result, Bhauriyal et al [ 228 ] employed “a 2D Cu‐benzenehexathial (Cu‐BHT) MOF (Figure 11f)” as a potential anchoring host for S‐cathode in Al/S battery. The conductive nature of Cu‐BHT‐MOF could successfully compensate for the intrinsic insulating nature of sulfur‐based products.…”

“…h) Illustration of uniform Al 2 S 3 layer deposition on the Cu-BHT monolayer surface. Reproduced with permission [228]. Copyright 2020, Royal Society of Chemistry.…”