A material genome approach towards exploration of Zn and Cd coordination complex polyester as dielectrics: Design, synthesis and characterization
| Autor: | Gregory A. Sotzing, Shamima Nasreen, Matthew L. Baczkowski, Arun K. Mannodi Kanakkithodi, Yang Cao, Aaron F. Baldwin, Sydney K. Scheirey, Ramamurthy Ramprasad, Gregory M. Treich |
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| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Materials science Polymers and Plastics Band gap Organic Chemistry chemistry.chemical_element 02 engineering and technology Zinc Dielectric 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Characterization (materials science) Coordination complex Polyester Metal chemistry Chemical physics visual_art Materials Chemistry visual_art.visual_art_medium Density functional theory 0210 nano-technology |
| Zdroj: | Polymer. 159:95-105 |
| ISSN: | 0032-3861 |
| Popis: | Advances in materials can be achieved once we understand their property well. In this study, a series of zinc and cadmium aliphatic polyesters with varying numbers of methylene spacer(s), 1 to 8, are synthesized and characterized to understand their features, which control their dielectric properties. The rational co-design of these materials is adopted by Density Functional Theory (DFT) computations of local structural features, and physical properties as dielectric constant and band gap energies. Synthesized polyesters of zinc and cadmium exhibit high band gap energies, > 5 eV, with the dielectric constant from ca. 4.69-3.61 and ca. 6.61-4.01, respectively; with metal volume fractions ca. 3–12% experimentally, which supports the DFT computations strongly to behave as a good dielectric material. These initial studies give insight into the potential advantages and expansion of the chemical design space for developing new dielectrics and provide valuable validation and feedback to enrich Material Genome Initiative. |
| Databáze: | OpenAIRE |
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