集束离子的储能能力
Fumitaka Mafuné1, Yangkun Wu1, Masato Yamaguchi1
1Department of Basic Science, School of Arts and Sciences, The University of Tokyo, Komaba, Meguro, Tokyo 153-8902, Japan.
The journal of physical chemistry. A
|April 26, 2024
概括
集群表现出储能能力,负电荷集群显示出比正电荷集群更高的亲和力和吸附力. 这种差异与它们的电子结构和吸附能量有关.
科学领域:
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
- 表面科学是一门学科.
背景情况:
- 材料中的储存对于能源应用至关重要.
- 金属集群为化学相互作用提供可调节的特性.
- 了解过渡金属集群上的吸附是开发新储存材料的关键.
研究的目的:
- 为了研究气相集群 (Con±,n=5-12) 的储存特性.
- 为了阐明在集群上的吸附和脱附机制.
- 为了比较阴离子和阴离子集群的亲和力.
主要方法:
- 实验研究结合了热溶解光谱学和质谱学.
- 密度函数理论 (DFT) 的计算,以了解结合和吸附.
- 分析与的原子比 (m/n) 和溶解温度.
主要成果:
- 原子在300 K的Con+和Con-集群上分离地吸附.
- 阳离子集群 (Con-) 的m/n比率高 (0.9-1.4),高于阴离子集群 (Con+,0.2-1.1).
- 在更高的温度 (700-800 K) 释放H2比Con+ (600-700 K),表明更大的亲和力.
结论:
- 集群,特别是阳离子集群,显示出储存的潜力.
- 吸附的离子键性质类似于金属化物.
- 与V集群相比,Co集群的吸附能量较低,归因于更大的HOMO-LUMO差距.
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