DFT Study of Methanol Adsorption on Vacancy and N-Doped Graphene and Comparing Them with Pristine Graphene
Abstract In this study, density functional theory was used to investigate the effect of adsorption process and interaction between methanol as a fuel and graphene as a catalyst. Thermodynamic studies in this field have shown that Gibb's free energy is positive in most cases. Therefore, adsorpti...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Tehran
2021-03-01
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| Series: | Journal of Sciences, Islamic Republic of Iran |
| Subjects: | |
| Online Access: | https://jsciences.ut.ac.ir/article_79108_b14de57f6361834c9d29c02a44029230.pdf |
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