DataVXACS Applied Energy MaterialsPaper
journal article·2021-06-28

Insights into a Thermodynamically Optimal Synthesis of the Ternary Complex Hydride Mg2FeH6 for High-Density Thermal Energy Storage

Serge Nyallang Nyamsi, Zhen Wu, Leilei Guo, Chenhui Qian, Lixian Sun, Fen Xu, Hiroshi Uesugi, Guohua Yan, Fusheng Yang, Zaoxiao Zhang

ACS Applied Energy Materials· Volume 4· Issue 6
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Source abstract

Abstract

Mg2FeH6 hydride has been viewed as a high-density and efficient material for thermal energy storage systems. However, the synthesis of the pure hydride is still a big problem for its application. This work combines experiment and density functional theory calculations to explore the conditions under which the synthesis is thermodynamically optimal. The experimental results show that Mg2FeH6 can be successfully synthesized by reactive ball milling within 5 h. The synthesis mechanism is revealed by numerical simulation to be indirect hydrogenation in two steps: one accelerating mode, in which MgH2 is probably formed with the reaction enthalpy of 75.57 kJ/mol H2, and then, a sluggish mode, in which the evolution of Mg2FeH6 happens via the reaction between MgH2 and Fe with the reaction enthalpy of 65.27 kJ/mol H2. In addition, the rehydrogenation of the mixture under low pressure and high temperature >400 °C results in a high degree of crystallinity of Mg2FeH6 and a maximum hydrogen capacity of 5.01 wt %.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Hydrogen Storage and Materials · Ammonia Synthesis and Nitrogen Reduction · Superconductivity in MgB2 and Alloys

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

South African Institute for Advanced Materials Chemistry, University of the Western Cape, Private Bag X17, Bellville 7535, South Africa

Shaanxi Key Laboratory of Energy Chemical Process Intensification, School of Chemical Engineering and Technology, Xi’an Jiaotong University, Xi’an 710049, PR China

School of Material Science & Engineering, Guangxi Key Laboratory of Information Materials and Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, Guilin University of Electronic Technology, Guilin 541004, PR China

Sagamiya Head Office Building 7f 713, 6 Ichibancho, Chiyoda-ku, Tokyo 102-0082, Japan

Shandong Tiexiong Xinsha Energy Co., Ltd., Heze 274900, PR China

State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an 710049, PR China

Funding

European Commission · Ministry of Education of the People's Republic of China · Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China · Natural Science Foundation of Shaanxi Province

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