Directly linked metalloporphyrins: a quest for bio-inspired materials
| Autor: | Pavel Hobza, Amrit Sarmah |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Spintronics business.industry Graphene Nanotechnology 02 engineering and technology Modular design 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Porphyrin 0104 chemical sciences law.invention chemistry.chemical_compound chemistry Chemistry (miscellaneous) Covalent bond law Electronic transmission General Materials Science Gradual increase 0210 nano-technology business |
| Zdroj: | Materials Advances. 1:1895-1908 |
| ISSN: | 2633-5409 |
| Popis: | The directly-linked iron–diporphyrin complexes are appealing candidates and fundamental precursors for an extended metalloporphyrin array that can potentially mimic the biological design of energy-harvesting materials. This encouraged us to appraise the layout for the modular fusion of two iron-porphyrin units. Herein, DFT-based calculations suggest that the electronic environment of diporphyrin systems can be tuned according to the topological attachment between the porphyrin units. Subsequently, a gradual increase in the electronic interaction between the constituent porphyrin units triggers a decrease in the HOMO–LUMO gap. This is essential to achieve higher electric conductivity. The spin-polarized electronic transmission is another interesting aspect of these iron–diporphyrin systems and is promising for spintronic applications. The successive theoretical interpretation of the existence of two-dimensional (2D) metalloporphyrin arrays could be the route to design a graphene analog of the covalent metal–organic framework. |
| Databáze: | OpenAIRE |
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