Band structures of periodic porphyrin nanostructures
Recent progress in the synthesis of π-conjugated porphyrin arrays of different shapes and dimensionalities motivates us to examine the band structures of infinite (periodic) porphyrin nanostructures. We use screened hybrid density functional theory simulations and Wannier function interpolation to o...
| Príomhchruthaitheoirí: | , , , , , |
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| Formáid: | Journal article |
| Foilsithe / Cruthaithe: |
American Chemical Society
2018
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