Improved hydrogen desorption properties of MgH2by graphite and NiF2addition: experimental and first-principles investigations

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作者信息关键词期刊信息基础信息归属信息摘要

成果类型：

期刊论文

作者：

Zhang, J.*;Qu, H.;Yan, S.;Yin, L. R.*;Yu, X. F.;...

通讯作者：

Zhang, J.;Yin, L. R.

作者机构：

[Qu, H.; Yin, L. R.; Yan, S.; Zhang, J; Yu, X. F.; Zhang, J.] Changsha Univ Sci & Technol, Hunan Prov Key Lab Safety Design & Reliabil Techn, Changsha 410114, Hunan, Peoples R China.

[Zhou, D. W.] Hunan Univ, State Key Lab Adv Design & Mfg Vehicle Body, Changsha 410082, Hunan, Peoples R China.

通讯机构：

[Zhang, J; Yin, LR] C

Changsha Univ Sci & Technol, Hunan Prov Key Lab Safety Design & Reliabil Techn, Changsha 410114, Hunan, Peoples R China.

语种：

英文

关键词：

Ball milling;Calculations;Charge transfer;Dehydrogenation;Desorption;Differential scanning calorimetry;Graphite;Hydrogen storage;Magnesium compounds;Nickel compounds;Scanning electron microscopy;Stability;X ray diffraction;First principle calculations;First-principles investigations;High-energy ball milling;Hydrogen desorption;Peak temperatures;Potential hydrogens;Structural distortions;Structural stabilities;Fluorine compounds

期刊：

Journal of Materials Science

ISSN：

0022-2461

年：

2017

卷：

期：

页码：

8681-8689

DOI：

10.1007/s10853-017-1097-3

基金类别：

This work was financially supported by the National Natural Science Foundation of China (No. 51401036), the Hunan Provincial Natural Science Foundation of China (No. 17JJ2263) and the Science Research Project of Hunan Province Office of Education (Nos. 16K001 and 17K003).

机构署名：

本校为第一且通讯机构

院系归属：

汽车与机械工程学院

摘要：

The high dehydrogenation temperature is still the impediment for the practical application of magnesium-based hydride (MgH2) as a potential hydrogen storage medium. In order to improve the hydrogen desorption properties of MgH2, the graphite and NiF2 are selected as additives, and the MgH2–graphite and MgH2–graphite–NiF2 composites are prepared by high-energy ball milling. Using experimental X-ray diffraction, scanning electron microscopy, differential scanning calorimetry characterizations and first-principle calculations, the effects and m...

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Improved hydrogen desorption properties of MgH2by graphite and NiF2addition: experimental and first-principles investigations

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