Insights into vibrational and electronic properties of (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) chemical bonding with (CuO)n clusters: a DFT study
Density functional theory (DFT) was used to study the electronic and vibrational properties of the chemical bond between the [6,6]-phenyl-C61-Butyric acid methyl ester (PCBM) and (CuO)n clusters. After chemical adsorption, the HOMO orbitals of PCBM primarily shifted towards (CuO)n, leading to a not...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Papers in Physics
2023-10-01
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| Series: | Papers in Physics |
| Online Access: | https://www.papersinphysics.org/papersinphysics/article/view/891 |