Дослiдження адсорбцiї молекули вуглекислого газу на графенi методом функцiонала щiльностi
The physisorption of a CO2 molecule on a graphene sheet using ab initio density functional theory is investigated. The geometrical structure of graphene, including various parameters viz. the bond lengths and bond angles are calculated for a graphene sheet under the adsorption of a CO2 gas. Addition...
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| Date: | 2018 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2018
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| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018358 |
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| Journal Title: | Ukrainian Journal of Physics |