Abstract
Silicate and oxide frameworks are pervasive materials with remarkable structural complexity and tunability, offering a wide range of applications in catalysis, gas storage, drug delivery, electronics, and environmental remediation. Topological indices, which are mathematical representations of molecular structure, and Shannon entropy, a measure of information content, have emerged as powerful tools for studying the structural characteristics of these frameworks. In this study, we investigate the effectiveness of topological indices and entropy levels in revealing the structural characteristics of silicate and oxide frameworks. We formulate topological expressions for newly developed hybrid indices derived from geometric, harmonic, and Zagreb indices and conduct a scaled bond-wise comparative analysis between the two frameworks.
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Micheal Arockiaraj and J. Celin Fiona: Conceptualization, methodology, and writing - original draft, J. Celin Fiona and Arul Jeya Shalini: Formal analysis and validation, Micheal Arockiaraj and Arul Jeya Shalini: Visualization. All authors reviewed the manuscript.
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Arockiaraj, M., Fiona, J.C. & Shalini, A.J. Comparative Study of Entropies in Silicate and Oxide Frameworks. Silicon 16, 3205–3216 (2024). https://doi.org/10.1007/s12633-024-02892-2
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DOI: https://doi.org/10.1007/s12633-024-02892-2