C₉N₄ and C₂N₆S₃ monolayers as promising anchoring materials for lithium–sulfur batteries: weakening the shuttle effect via optimizing lithium bonds

Abstract

The notorious polysulfide shuttle effect is a crucial factor responsible for the degradation of Li-S batteries. A good way to suppress the shuttle effect is to effectively anchor the dissoluble...

Carbon-Nitride-Based Materials for Advanced Lithium–Sulfur Batteries

“…In addition, C 2 N shows highly negative Gibbs free energy for Li n -C 2 N and strong adsorption capability for Li 2 S. Its high LiPSs adsorption capability was also confirmed by Zhang et al using firstprinciples calculations [114]. Comparing four nonmetallic layered materials (graphene, BN, C 2 N, and C 3 N 4 ), C 3 N 4 and C 2 N exhibit stronger LiPSs adsorption capability through the [116]. With increased electronic conductivity of C x N y , the LiPSs adsorbed can directly lose/gain electrons to be oxidized/ reduced, which avoids the loss of LiPSs and improve the rate capability of Li-S batteries.…”

N, S-doped graphene derived from graphene oxide and thiourea-formaldehyde resin for high stability lithium–sulfur batteries

“…Previous ab initio calculations have demonstrated that N, S-doped carbon materials can effectively chemically bound to the Li + and S n 2− of polysulfides based on the formation of Li–N bonds and S–S interactions. 36–39…”

Rational design of MXene-based single atom catalysts for Na–Se batteries from sabatier principle

“…S2, ESI †), 46,47 To gain a deeper insight into the interaction between cathode hosts and Se 8 /Na 2 Se n , the charge density difference of Se 8 /Na 2 Se n on M 2 CO 2 /Zn-M 2 CO 2 was performed to investigate charge transfer during the adsorption process. 49 In the case of Se 8 molecule adsorption on the surface, only a small amount of electron transfer occurs, demonstrating that the interaction between Se 8 and the substrate is mainly governed by vdWs physical adsorption rather than chemical interaction (Fig. 5).…”