碳质催化剂促进钠离子电池中 Na2S 的转化动力学

IF 18.9 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Energy Storage Materials Pub Date : 2024-11-12 DOI:10.1016/j.ensm.2024.103899
Xingjiang Wu , Xude Yu , Zhicheng Tian, Xiaowei Yang, Jianhong Xu
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引用次数: 0

摘要

具有高理论容量的转化型金属硫化物负极在镍离子电池(SIB)中受到越来越多的关注,但在充电过程中,Na2S中间体的不可逆转化通常会导致速率能力低和循环稳定性差。本文以 DFT 计算为指导,首次报道了一种新型碳质氮化石墨碳(g-CN)催化剂,可促进 SIB 中 Na2S 中间体向原始 MoS2 的转化动力学。值得注意的是,g-CN 催化剂的化学吸附能大、选择性高、催化能垒低,可确保其电荷转移到 Na2S 中间体,从而化学锚定和分解 Na2S 中间体,催化其可逆转化。此外,还开发了微流体策略,以加强 g-CN 催化剂前体向 MoS2 骨架的大规模扩散,从而促进其随后的共价键合过程。g-CN 催化剂通过 C-Mo 键在 1T-MoS2 超晶格(1T-MoS2/g-CN)上共价键合,具有很强的界面相互作用,能极大地促进 MoS2 在放电过程中的 Na+ 储存动力学,并在随后的充电过程中促进 Na2S 中间体向原始 MoS2 的可逆转换反应,DFT 计算和原位表征进一步证明了这一点。因此,1T-MoS2/g-CN 超晶格显示出超强的速率容量和出色的循环稳定性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Carbonaceous catalyst boosting conversion kinetics of Na2S in Na-ion batteries
Conversion-type metal sulfide anode with high theoretical capacity has received increasing attention in Na-ion batteries (SIBs), but the irreversible conversion of Na2S intermediate in charging process usually engenders low rate capability and poor cycling stability. Herein, guided by DFT calculation, a new-type carbonaceous graphitic carbon nitride (g-CN) catalyst is first reported to boost conversion kinetics of Na2S intermediate to pristine MoS2 in SIBs. Notably, the large chemisorbed energy, high selectivity and low catalytic energy barrier of g-CN catalyst can ensure its affluent charge transfers to Na2S intermediate, which chemically anchor and decompose Na2S intermediate for catalyzing its reversible conversion. Moreover, the microfluidic strategy is developed to enhance the mass diffusion of g-CN catalyst precursors into MoS2 skeleton for facilitating their subsequently covalent bonding process. The covalent bonding of g-CN catalyst on 1T-MoS2 (1T-MoS2/g-CN) superlattice with strong interfacial interaction via C-Mo bond can greatly promote Na+-storage kinetics of MoS2 in discharging process and reversible conversion reaction of Na2S intermediate to pristine MoS2 in following charging process, which is further evidenced by DFT calculation and in-situ characterizations. Consequently, the 1T-MoS2/g-CN superlattice reveals superb rate capacity and excellent cycling stability.
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来源期刊
Energy Storage Materials
Energy Storage Materials Materials Science-General Materials Science
CiteScore
33.00
自引率
5.90%
发文量
652
审稿时长
27 days
期刊介绍: Energy Storage Materials is a global interdisciplinary journal dedicated to sharing scientific and technological advancements in materials and devices for advanced energy storage and related energy conversion, such as in metal-O2 batteries. The journal features comprehensive research articles, including full papers and short communications, as well as authoritative feature articles and reviews by leading experts in the field. Energy Storage Materials covers a wide range of topics, including the synthesis, fabrication, structure, properties, performance, and technological applications of energy storage materials. Additionally, the journal explores strategies, policies, and developments in the field of energy storage materials and devices for sustainable energy. Published papers are selected based on their scientific and technological significance, their ability to provide valuable new knowledge, and their relevance to the international research community.
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