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The impact of molecular orientation on carrier transfer characteristics at a phthalocyanine and halide perovskite interface
We have studied the interface properties of metal phthalocyanine (MPc, M = Zn, Cu) molecules at a methylammonium lead iodide (MAPbI(3)) surface using density functional theory (DFT) based simulations. From the adsorption energies, the face-on orientation is found to have an order of magnitude strong...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9041736/ https://www.ncbi.nlm.nih.gov/pubmed/35496877 http://dx.doi.org/10.1039/d1ra05909b |