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High-entropy NaCl-type metal chalcogenides as K-ion storage materials: role of the cocktail effect
Energy Storage Materials ( IF 20.4 ) Pub Date : 2023-04-09 , DOI: 10.1016/j.ensm.2023.102770
Che-Bin Chang , Ying-Rui Lu , Hsing-Yu Tuan

The drastic volume expansion of active materials and the shuttle effect of polychalcogenides hindered the development of anode materials for potassium-ion batteries (PIBs). Thus, various strategies have been used to overcome the negative effects associated with potassiation. Here, we propose a NaCl-type high-entropy metal chalcogenide (HEMC) prepared using a simple melting method as an anode material for PIBs. Unlike traditional high-entropy materials comprising inactive metals, NaCl-type HEMCs can realize the occupancy of cationic sites by active metals. We show that AgSnSbSe1.5Te1.5, a HEMC, produces short-range tiny cells during phase-change energy storage reactions, reconciling the participation of active and inactive metals to form various heterointerfaces and different functional metal nanoparticles. The kinetic and density functional theory analysis showed that the formation of heterointerfaces decreased the diffusion energy barrier of K+ and the inactive metal silver provided appropriate adsorption energy, suppressing the latent shuttle effect. The results show enhanced electrochemical performance owing to the elemental composition of high-entropy materials and the formation of tunable heterointerfaces and functional nanoparticles in electrochemical reactions, offering a new concept for the design of PIB anode materials.



中文翻译:

高熵 NaCl 型金属硫族化物作为 K 离子储存材料:鸡尾酒效应的作用

活性材料的急剧体积膨胀和多硫族化物的穿梭效应阻碍了钾离子电池(PIB)负极材料的发展。因此,已使用各种策略来克服与钾化相关的负面影响。在这里,我们提出了一种使用简单熔化方法制备的 NaCl 型高熵金属硫族化物 (HEMC) 作为 PIB 的阳极材料。与包含惰性金属的传统高熵材料不同,NaCl 型 HEMC 可以实现活性金属对阳离子位点的占据。我们证明 AgSnSbSe 1.5 Te 1.5,一种HEMC,在相变储能反应过程中产生短程微小电池,协调活性和非活性金属的参与,形成各种异质界面和不同功能的金属纳米粒子。动力学和密度泛函理论分析表明,异质界面的形成降低了K +的扩散能垒,惰性金属银提供了适当的吸附能,抑制了潜在的穿梭效应。结果表明,由于高熵材料的元素组成以及电化学反应中可调异质界面和功能纳米粒子的形成,电化学性能得到增强,为 PIB 负极材料的设计提供了新的概念。

更新日期:2023-04-14
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