Non-stoichiometric Ni3ZnC0.7 carbide loading on melamine sponge-derived carbon for hydrogen storage performance improvement of MgH2

IF 9.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Zi-Yin Dai, Ping Wu, Li-Rong Xiao, Hideo Kimura, Chuan-Xin Hou, Xue-Qin Sun, Si-Jie Guo, Wei Du, Xiu-Bo Xie
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Abstract

The high operating temperatures and slow kinetics limit the application of MgH2-based hydrogen storage materials. Here, a composite of Ni3ZnC0.7/carbon nanotubes loaded onto a melamine sponge-derived carbon (MS) skeleton is prepared and loaded onto MgH2. During dehydrogenation, Ni3ZnC0.7 reacts with MgH2 and in situ changes to Mg2Ni/Zn. The transformation of Mg2Ni/Mg2NiH4 serves as a “hydrogen pump”, providing diffusion channels for hydrogen atoms and molecules to promote the de-/hydrogenation processes. Moreover, Zn/MgZn2 provides the catalytic sites for the transformation of Mg/MgH2. The length of the Mg–H bond is elongated from 1.72 to 1.995 Å, and the dissociation energy barrier of MgH2 is reduced from 1.55 to 0.49 eV. As a result, MgH2 with 2.5 wt% MS@Ni3ZnC0.7 can absorb 5.18 wt% H2 at 423 K within 200 s, and its initial dehydrogenation temperature is reduced to 585 K. After 20 cycles, the dehydrogenation capacity retention is determined to be 94.6%. This work demonstrates an efficient non-stoichiometric metal carbide catalyst for MgH2.

Graphical abstract

Abstract Image

在三聚氰胺海绵碳上添加非均一的 Ni3ZnC0.7 碳化物以提高 MgH2 的储氢性能
基于 MgH2 的储氢材料的应用受到了工作温度高和动力学速度慢的限制。在此,我们制备了一种负载在三聚氰胺海绵衍生碳(MS)骨架上的 Ni3ZnC0.7/ 碳纳米管复合材料,并将其负载到 MgH2 上。在脱氢过程中,Ni3ZnC0.7 与 MgH2 发生反应,并在原位转变为 Mg2Ni/Zn。Mg2Ni/Mg2NiH4 的转变起到了 "氢泵 "的作用,为氢原子和氢分子提供了扩散通道,从而促进了脱氢/氢化过程。此外,Zn/MgZn2 为 Mg/MgH2 的转化提供了催化位点。Mg-H 键的长度从 1.72 Å 延长到 1.995 Å,MgH2 的解离能垒从 1.55 eV 降低到 0.49 eV。因此,含有 2.5 wt% MS@Ni3ZnC0.7 的 MgH2 可在 200 秒内于 423 K 温度下吸收 5.18 wt% 的 H2,其初始脱氢温度降低到 585 K。经过 20 次循环后,脱氢能力保持率被测定为 94.6%。该研究成果证明了一种高效的非化学计量金属碳化物 MgH2 催化剂。
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来源期刊
Rare Metals
Rare Metals 工程技术-材料科学:综合
CiteScore
12.10
自引率
12.50%
发文量
2919
审稿时长
2.7 months
期刊介绍: Rare Metals is a monthly peer-reviewed journal published by the Nonferrous Metals Society of China. It serves as a platform for engineers and scientists to communicate and disseminate original research articles in the field of rare metals. The journal focuses on a wide range of topics including metallurgy, processing, and determination of rare metals. Additionally, it showcases the application of rare metals in advanced materials such as superconductors, semiconductors, composites, and ceramics.
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