Storage of Na in 2D SnS for Na ion batteries: a DFT prediction

Abstract

The high demand for renewable and clean energy has driven the exploration of advanced energy storage systems. Sodium-ion batteries (SIBs) have been considered potential substitutes for Li-ion batteries (LIBs) because...

Two-Dimensional SnS and SnSe as Hosts of K-Ion Storage: A First-Principles Prediction

“…30 V), and high rate capacity. 31 2D SnS with a 357 mA h/g specific capacity, 0.86 V OCV, and 0.13 eV activation energy barrier for Na-ion batteries was also reported by Butt et al 4 It has been experimentally proven that the SnSe alloy is the best anode material for SIBs. Kim et al investigated the performance of the SnSe/C composite as an anodic material for SIBs.…”

“…In this context, eco-friendly, clean, and renewable energy sources such as tidal, wind, plants, and solar have come into the highlight. Effectual energy storage systems are required to integrate these energy sources with power grids. – Currently, lithium-ion-based batteries (LIBs) are mainly used to store energy from these clean sources. But the application of LIBs in large energy storage systems is strongly plagued due to the limited accessibility and uneven dispersal of Li in the earth’s crust. , To overcome these issues, researchers are looking for alternatives to LIBs.…”

“…Among them, Sn-based materials have grabbed the attention of researchers with respect to rechargeable batteries due to their high electrochemical reactivity and abundant nature. 4,21 However, it has been noted that pure Sn is not suitable for LIBs due to the repetitive contraction and expansion of Sn during charging and discharging, which ultimately leads to breakage and disconnection from the current collector. 22,23 In this context, Sn-based 2D materials, such as SnS and SnSe, are potential applicants for battery applications.…”

“…Recently, two-dimensional (2D) metal dichalcogenides have gained much consideration due to their exceptional thermal and mechanical stabilities, optoelectronic properties, and high conduction. ,, 2D materials are important for energy storage technologies (batteries and supercapacitors) due to their layered configuration and enlarged surface areas. – These materials show excellent electrochemical performance and electronic transition after the intercalation and diffusion of Na, K, and Li for sodium-ion batteries (SIBs), KIBs, and LIBs, correspondingly. – Different 2D materials, for instance, oxides, carbides, sulfides, and nitrides, have been investigated as electrode materials for the battery industry. Among them, Sn-based materials have grabbed the attention of researchers with respect to rechargeable batteries due to their high electrochemical reactivity and abundant nature. , However, it has been noted that pure Sn is not suitable for LIBs due to the repetitive contraction and expansion of Sn during charging and discharging, which ultimately leads to breakage and disconnection from the current collector. , …”

An Ab Initio Study of Two Dimensional SnX2 and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

“…Further examination on the stabilities of T- and H-MXY monolayers is necessary before applying for photocatalytic water splitting. , The calculated work functions of Te-based monolayers possess lower values than that of graphene (4.25 eV), indicating the poor chemical stability (Table S2). Meanwhile, because the semimetal and small band gap of T- and H-MXTe monolayers are not suitable for the photocatalytic reaction, the stabilities of T- and H-MXY (X, Y = S and Se) monolayers are proved by elastic constants, cleavage energies, and molecular dynamic calculations.…”