Potential Applications of Heterostructures of TMDs with MXenes in Sodium-Ion and Na–O₂ Batteries

Abstract

Na-ion batteries are viewed as the alternative to Li-ion batteries for similar electrochemical properties, while they always suffer from a low capacity. Na–O2 batteries are important due to their high energy density; however, they are usually limited by high overpotential. In this manuscript, 16 different heterostructures of TMDs with MXenes (bare and O-terminated case) are constructed and their potential in the application of sodium-ion batteries (SIBs) and Na–O2 batteries is explored. Among these structures, it is proved that only the heterostructures of VS2 with O-terminated MXenes could load five layers of Na+ ions, while the others will have a distortion when Na+ ions intercalate or diffuse in the interlayer or the second adsorption layer. The ultrasmall diffusion barrier of Na+ ion denotes that these structures have a fast charge/discharge speed, and the ultrasmall open circuit voltages (OCVs) of 0.18 and 0.21 V prove that they are promising candidates for SIBs. The ultralow overpotential 0.55 V/0.20 V for the ηORR/ηOER means that the O facet of the VS2/Ti2CO2 heterostructure also has a great potential in the application of Na–O2 batteries. These simulations prove that the heterostructures constructed by TMDs with MXenes have great potential in SIBs and Na–O2 batteries and are important for future battery design.

Recent Advances and Promise of MXene‐Based Nanostructures for High‐Performance Metal Ion Batteries

“…Specifically, VS 2 /Ti 2 CO 2 and VS 2 /V 2 CO 2 possessed high capacities of 601.44 and 585.29 mAh g −1 , respectively. [ 98 ] These theoretical results have promised the bright future of MXene/2D hybrids for SIBs, and more experiments are highly needed to verify their sodium storage performance. As exemplified, polymer poly(diallyl dimethyl ammoniumchloride) (PDDA)‐modified BP (PDDA‐BP) nanosheets were also electrostatically assembled with MXene for freestanding PDDA‐BP/Ti 3 C 2 hybrid films, in which BP nanosheets were uniformly dispersed on Ti 3 C 2 nanosheets with no free BP nanosheets ( Figure a).…”

Interfacial structure design of MXene‐based nanomaterials for electrochemical energy storage and conversion

“…In recent years, several studies are conducted to combine the MXene substrates with 0D nanomaterials (eg, Pt, P, Ag, TiO 2 , SnO 2 , Mn 3 O 4 , and Sb 2 O 3 ), 57,[80][81][82][83][84][85][86] 1D nanomaterials (eg, CNTs, and bacterial cellulose), [87][88][89] and 2D nanomaterials (eg, Layered double hydroxides (LDHs), Transition metal dichalcogenides (TMDs), and Metal-organic frameworks (MOFs)). [90][91][92][93] Furthermore, their applications in the field of electrochemical energy storage and conversion are systematically investigated. Hence, in this section, representative examples about nanostructures designed by 0D/1D/2D and MXene matrix are analyzed, and their energy storage and electrocatalysis mechanisms are discussed in detail.…”

“…Moreover, stacking different 2D materials into heterostructures architectures can endow the constructed electrodes with the combined advantages of the individual building blocks while minimizing the associated shortcomings, which can greatly expand current energy storage technologies. 95 93 Among all these heterostructures, only VS 2 with O-terminated MXenes structures can load five layers of Na ions, therefore a highly promising material for Na-ion batteries. Besides, VS 2 /Ti 2 CO 2 heterostructure also exhibits a great potential in Na-O 2 batteries.…”

Interlayer Space Engineering of MXenes for Electrochemical Energy Storage Applications

“…TMSs have long been regarded as promising electrodes for metal ion storage, especially VS 2 , [127] MoS 2 , [118] and SnS 2 . [119] Typically,C hen et al intimately contacted 2D MoS 2 on the MXene surfaceb yi ns itu sulfidation of Mo 2 TiC 2 T x .…”