Accelerated Polysulfide Conversion by Rationally Designed NiS2‐CoS2 Heterostructure in Lithium–Sulfur Batteries DOI
Xing Ye, Fang Wu, Zhiyu Xue

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 27, 2024

Abstract Lithium–sulfur (Li–S) batteries are considered as potential candidates for future‐oriented energy storage systems. However, their practical deployment is hampered by the shuttle effect and sluggish reaction kinetics of lithium polysulfides (LiPSs). A key strategy to mitigate these challenges develop efficient heterojunction catalysts enhance suppress effect. In this study, a NiS 2 ‐CoS introduced address with density functional theory (DFT) calculations employed determine optimal combination from 5 × crystal plane configurations. The identified (210)‐CoS (200) demonstrates excellent anchoring effects catalytic properties LiPSs, significantly enhancing rate performance (839.9 mAh g −1 at C 730.8 3 C) cycling stability. Furthermore, in situ Raman X‐ray diffraction (XRD) analyses reveal that rapidly catalyzes conversion reducing migration toward anode thereby suppressing design transition metal sulfide heterojunctions offers an approach accelerating polysulfide kinetics, effectively addressing limitations Li–S batteries.

Language: Английский

Engineering cobalt phosphide with anion vacancy and carbon shell for kinetically enhanced lithium-sulfur batteries DOI
Baihui Chen, Lirong Zhang, Ye Tao

et al.

Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: unknown, P. 137563 - 137563

Published: April 1, 2025

Language: Английский

Citations

0
Electronic structure regulation of Fe3C neighbored Fe-N4 ensembles enables optimized redox-cascade electrocatalysis for high-performance lithium-sulfur batteries DOI
Zhiqiang Zhou, Lin Cui,

Lubin Yang

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 163125 - 163125

Published: April 1, 2025

Language: Английский

Citations

0
Biaxial Strain Effects on Thermal Transport and Thermoelectric Performance of Janus Transition Metal Dichalcogenide Monolayers DOI Open Access
Min Zhang,

Tang Gui-Hua,

史晓磊 SHI Xiao-lei

et al.

Acta Physica Sinica, Journal Year: 2025, Volume and Issue: 74(13), P. 0 - 0

Published: Jan. 1, 2025

Janus transition metal dichalcogenide monolayers, characterized by antisymmetric crystal structures and unique physical properties, show great potential for applications in micro/nano-electronic devices thermoelectrics. In this work, the strain-tuned phonon thermal transport thermoelectric performance of six monolayers are systematically investigated first-principles calculations. This study focuses on PtSSe PtTeSe with a 1T-phase structure, as well MoSSe, MoTeSe, WSSe, WTeSe 1H-phase structure. All calculations performed using open-source software Quantum ESPRESSO. The lattice conductivity is obtained based dynamics iterative solutions Boltzmann Transport Equation. conductivities PtSSe, WSSe generally higher than those PtTeSe, WTeSe. Acoustic phonons responsible majority transport, contributing over 95%. Under unstrained conditions, monolayer demonstrates superior 104 W·m<sup>-1</sup>·K<sup>-1</sup>, making it advantageous management electronic devices. tensile strain, exhibits monotonic decrease; however, initially shows an increase, followed subsequent decrease. 10% these all demonstrate reduction exceeding 60%. Furthermore, work provides comprehensive analysis impact strain specific heat capacity, group velocity, lifetime. Phonon mode-level cross-calculated (with lifetime replaced values under different conditions) reveal that dominant factor governing strain. For electrical equation deformation theory. At room temperature, figure merit (<i>ZT</i>) 0.91 without which can be improved to 1.31 <i>ZT</i> value reaches high 3.96 p-type 2.38 n-type at 700 K, indicating highly promising material. Strain-induced enhancements facilitated reconfiguration band engineering effective strategy tuning performances monolayers.

Language: Английский

Citations

0
Accelerated Polysulfide Conversion by Rationally Designed NiS2‐CoS2 Heterostructure in Lithium–Sulfur Batteries DOI
Xing Ye, Fang Wu, Zhiyu Xue

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 27, 2024

Abstract Lithium–sulfur (Li–S) batteries are considered as potential candidates for future‐oriented energy storage systems. However, their practical deployment is hampered by the shuttle effect and sluggish reaction kinetics of lithium polysulfides (LiPSs). A key strategy to mitigate these challenges develop efficient heterojunction catalysts enhance suppress effect. In this study, a NiS 2 ‐CoS introduced address with density functional theory (DFT) calculations employed determine optimal combination from 5 × crystal plane configurations. The identified (210)‐CoS (200) demonstrates excellent anchoring effects catalytic properties LiPSs, significantly enhancing rate performance (839.9 mAh g −1 at C 730.8 3 C) cycling stability. Furthermore, in situ Raman X‐ray diffraction (XRD) analyses reveal that rapidly catalyzes conversion reducing migration toward anode thereby suppressing design transition metal sulfide heterojunctions offers an approach accelerating polysulfide kinetics, effectively addressing limitations Li–S batteries.

Language: Английский

Citations

2