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First-Principles Study on Hydrogen Storage Performance of Transition Metal-Doped Zeolite Template Carbon
The hydrogen adsorption characteristics and mechanism of transition metal-doped zeolite template carbon (ZTC) as a novel porous material are studied by theoretical calculations employing first-principle all-electron atomic orbital method based on density functional theory. The stability of transitio...
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| Main Authors: | , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
MDPI AG
2019-07-01
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| 叢編: | Crystals |
| 主題: | |
| 在線閱讀: | https://www.mdpi.com/2073-4352/9/8/397 |
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