The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH2

doi:10.1016/j.cjche.2021.10.016

中国化学工程学报 ›› 2022, Vol. 43 ›› Issue (3): 343-352.DOI: 10.1016/j.cjche.2021.10.016

The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH₂

Liuting Zhang¹, Haijie Yu¹, Zhiyu Lu¹, Changhao Zhao¹, Jiaguang Zheng¹, Tao Wei¹, Fuying Wu², Beibei Xiao¹

1. School of Energy and Power, Jiangsu University of Science and Technology, Zhenjiang 212003, China;
2. Analysis and Testing Center, Jiangsu University of Science and Technology, Zhenjiang 212003, China

收稿日期:2021-08-06 修回日期:2021-10-12 出版日期:2022-03-28 发布日期:2022-04-28
通讯作者: Jiaguang Zheng,E-mail:jgzheng@just.edu.cn;Tao Wei,E-mail:wt863@126.com;Beibei Xiao,E-mail:xiaobb11@mails.jlu.edu.cn
基金资助:
The authors would like to express gratitude for support from the National Natural Science Foundation of China (Grant No. 51801078 and 21701083) and the Natural Science Foundation of Jiangsu Province (Grant No. BK20180986 and BK20210884).

The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH₂

Liuting Zhang¹, Haijie Yu¹, Zhiyu Lu¹, Changhao Zhao¹, Jiaguang Zheng¹, Tao Wei¹, Fuying Wu², Beibei Xiao¹

1. School of Energy and Power, Jiangsu University of Science and Technology, Zhenjiang 212003, China;
2. Analysis and Testing Center, Jiangsu University of Science and Technology, Zhenjiang 212003, China

Received:2021-08-06 Revised:2021-10-12 Online:2022-03-28 Published:2022-04-28
Contact: Jiaguang Zheng,E-mail:jgzheng@just.edu.cn;Tao Wei,E-mail:wt863@126.com;Beibei Xiao,E-mail:xiaobb11@mails.jlu.edu.cn
Supported by:
The authors would like to express gratitude for support from the National Natural Science Foundation of China (Grant No. 51801078 and 21701083) and the Natural Science Foundation of Jiangsu Province (Grant No. BK20180986 and BK20210884).

摘要/Abstract

摘要： High hydrogen desorption temperature and sluggish reaction kinetics are the major limitations for the practical application of MgH₂. In this study, Co particles with a face centered cubic (FCC) structure and a hexagonal close packed (HCP) structure were prepared facilely and proved to be good catalysts for magnesium hydride. Co particles with FCC structure presented better catalytic effect on MgH₂ than that with HCP structure. Both 7% (mass) Co FCC and HCP particle modified MgH₂ decreased the initial dehydrogenation temperature from 301.3 ℃ to approximately 195.0 ℃, but 7% (mass) Co with FCC structure modified MgH₂ has a faster desorption rate, and around 6.5% (mass) H₂ was desorbed in 10 min at 325 ℃. Hydrogen uptake was detected at 70 ℃ under 3.25 MPa hydrogen pressure and 6.0% (mass) H₂ was recharged in 40 min at 150 ℃. The hydrogen desorption and absorption activation energy for 7% (mass) FCC Co modified MgH₂ was significantly decreased to (76.6±8.3) kJ·mol^-1 and (68.3±6.0) kJ·mol^-1, respectively. Thermodynamic property was also studied, the plateau pressures of MgH₂ + 7% (mass) FCC Co were determined to be 0.14, 0.28, 0.53 and 0.98 MPa for 300 ℃, 325 ℃, 350 ℃ and 375℃. The decomposition enthalpy of hydrogen (ΔH) for MgH₂ + 7% (mass) FCC Co was (80.6±0.1) kJ·mol^-1, 5.8 kJ·mol^-1 lower than that of as-prepared MgH₂. Moreover, cycling performance for the first 20 cycles revealed that the reaction kinetics and capacity of MgH₂-FCC Co composite remained almost unchanged. The result of density functional theory calculation demonstrated that cobalt could extract the Mg—H bond and reduced the decompose energy of magnesium hydride. Our paper can be presented as a reference for searching highly effective catalysts for hydrogen storage and other energy-related research fields.

关键词: Hydrogen storage, MgH₂, FCC/HCP Co particles, Catalysis, Density functional theory

Abstract: High hydrogen desorption temperature and sluggish reaction kinetics are the major limitations for the practical application of MgH₂. In this study, Co particles with a face centered cubic (FCC) structure and a hexagonal close packed (HCP) structure were prepared facilely and proved to be good catalysts for magnesium hydride. Co particles with FCC structure presented better catalytic effect on MgH₂ than that with HCP structure. Both 7% (mass) Co FCC and HCP particle modified MgH₂ decreased the initial dehydrogenation temperature from 301.3 ℃ to approximately 195.0 ℃, but 7% (mass) Co with FCC structure modified MgH₂ has a faster desorption rate, and around 6.5% (mass) H₂ was desorbed in 10 min at 325 ℃. Hydrogen uptake was detected at 70 ℃ under 3.25 MPa hydrogen pressure and 6.0% (mass) H₂ was recharged in 40 min at 150 ℃. The hydrogen desorption and absorption activation energy for 7% (mass) FCC Co modified MgH₂ was significantly decreased to (76.6±8.3) kJ·mol^-1 and (68.3±6.0) kJ·mol^-1, respectively. Thermodynamic property was also studied, the plateau pressures of MgH₂ + 7% (mass) FCC Co were determined to be 0.14, 0.28, 0.53 and 0.98 MPa for 300 ℃, 325 ℃, 350 ℃ and 375℃. The decomposition enthalpy of hydrogen (ΔH) for MgH₂ + 7% (mass) FCC Co was (80.6±0.1) kJ·mol^-1, 5.8 kJ·mol^-1 lower than that of as-prepared MgH₂. Moreover, cycling performance for the first 20 cycles revealed that the reaction kinetics and capacity of MgH₂-FCC Co composite remained almost unchanged. The result of density functional theory calculation demonstrated that cobalt could extract the Mg—H bond and reduced the decompose energy of magnesium hydride. Our paper can be presented as a reference for searching highly effective catalysts for hydrogen storage and other energy-related research fields.

Key words: Hydrogen storage, MgH₂, FCC/HCP Co particles, Catalysis, Density functional theory

Liuting Zhang, Haijie Yu, Zhiyu Lu, Changhao Zhao, Jiaguang Zheng, Tao Wei, Fuying Wu, Beibei Xiao. The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH₂[J]. 中国化学工程学报, 2022, 43(3): 343-352.

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The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH₂

The effect of different Co phase structure (FCC/HCP) on the catalytic action towards the hydrogen storage performance of MgH₂

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