Proposed formation mechanism and active species of hydrogen molecules generated from a novel magnesium-citric acid-hydroxypropyl cellulose coating (MgCC) material
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- 作者：Shigeki Kobayashia ; kobayasi@ac.shoyaku.ac.jp" class="auth_mail" title="E-mail the corresponding author ; Toshiyuki Chikumaa ; Kazuyoshi Chibab ; Daisuke Tsuchiyac ; Tomomitsu Hiraid
- 关键词：Molecular hydrogen ; Deuterium ; Magnesium ; Gas chromatography mass spectrometry ; Electron spin resonance ; Transition state ; Density functional theory
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：15 February 2016
- 年：2016
- 卷：1106
- 期：Complete
- 页码：468-478
- 全文大小：1765 K
文摘
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We developed a novel Mg–citric acid coating material (MgCC), which was effectively generated H2 and D2.
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We identified the H2, D2, and HD generated from MgCC by using a GCMS.
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The proposed transition state (TS) was shown to exist in the reaction pathway.
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The role of weak acids was to decrease the activation energy in H2 production.