Novel Conductive Metal–Organic Framework for a High-Performance Lithium–Sulfur Battery Host: 2D Cu-Benzenehexathial (BHT)

Abstract

Despite the high theoretical capacity of lithium-sulfur (Li-S) batteries, their commercialization is severely hindered by low cycle stability and low efficiency, stemming from the dissolution and diffusion of lithium polysulfides (LiPSs) in the electrolyte. In this study, we propose a novel two-dimensional conductive metal-organic framework, namely, Cu-benzenehexathial (BHT), as a promising sulfur host material for high-performance Li-S batteries. The conductivity of Cu-BHT eliminates the insulating nature of most S-based electrodes. The dissolution of LiPSs into the electrolyte is largely prevented by the strong interaction between Cu-BHT and LiPSs. In addition, orientated deposition of LiS on Cu-BHT facilitates the kinetics of the LiPS redox reaction. Therefore, the use of Cu-BHT for Li-S battery cathodes is expected to suppress the LiPS shuttle effect and to improve the overall performance, which is ideal for practical application of Li-S batteries.

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

“…54,67 The monolayer of Cu-BHT MOF has intrinsic metallic nature mainly contributed from the electronic states of C 2p, S 3p, and Cu 3d orbitals at the Fermi level and is dynamically 8 stable. 68 This metallic characteristic of Cu-BHT MOF could be quite beneficial in improving the rate performance of Al-S battery. The graphene monolayer optimized for the comparative study is also shown in Figure 1c with the lattice parameters (a = b = 2.46 Å) in good accordance with the experimental data for graphite.…”

Metal−Organic Frameworks for High‐Energy Lithium Batteries with Enhanced Safety: Recent Progress and Future Perspectives

“…As mentioned in Section 2.1.4, some of conductive MOFs have been reported such as 2D conjugated conductive MOFs. Very recently, such 2D conductive MOFs indeed have been used in Li−S batteries and proven to be promising host materials for S and polysulfides, paving the way for high‐performance Li−S batteries . For example, Li et al .…”

“…Very recently, such 2D conductive MOFs indeed have been used in Li−S batteries and proven to be promising host materials for S and polysulfides, paving the way for high‐performance Li−S batteries . For example, Li et al . demonstrated the promising application of 2D conductive Cu‐BHT as a host for S using a theoretical approach.…”

Direct grafting-from of PEDOT from a photoreactive Zr-based MOF – a novel route to electrically conductive composite materials

“…However, only very few MOFs exhibit intrinsic electrical conductivity. The rare examples rely on the formation of p-stacked pathways through threedimensional MOFs, 30,31 delocalization in two-dimensional coordination polymers [32][33][34][35][36] or via sulfur-based linker molecules 37 as well as the special properties of iron-based MOFs. [38][39][40] Alternatively, the introduction of guest molecules like tetracyanoquinododimethane, 41 fullerene, 42 polyaniline and polythiophene derivatives, 40,[43][44][45][46][47][48][49] as well as the formation of composites with conducting carbon modifications 42,[50][51][52][53][54] or conducting polymers 55,56 can lead to conductive MOF-based materials.…”