A study of polybromide chain formation using carbon nanomaterials via density functional theory approach
We use a density functional theory approach under the local density approximation (DFT/LDA) to describe the formation of polybromide chain structures, their stretching frequency modes and charge transfer induced by the interaction of these molecules with a graphene sheet. In many cases, we find poly...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2016-12-01
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| Series: | Cogent Engineering |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/23311916.2016.1261509 |