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Cellulose

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19.02.2024 | Original Research

Understanding of dielectric properties of cellulose

verfasst von: Asha Yadav, Mathias Boström, Oleksandr I. Malyi

Erschienen in: Cellulose | Ausgabe 5/2024

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Abstract

The theoretical understanding of structural and optoelectronic properties is well-established for a range of inorganic materials; however, such a robust foundation is, in large part, absent in the case of cellulose. Existing literature reports a wide variance in experimentally observed properties for cellulose phases, which are often in contradiction to each other. Motivated by this, we perform an exhaustive first-principles investigation of the structural and optoelectronic properties of cellulose I_α and I_β phases. Utilizing exchange–correlation functionals that accurately describe van der Waals interaction and leveraging state-of-the-art density functional theory methods, we strive to present a highly accurate periodic model for the cellulose phases. We integrate the framework of volume-average theory and the potential impact of water sorption to offer insights into the considerable discrepancies seen across different experimental outcomes. Thus, our study provides a reconciliatory perspective, bridging the gap between theoretical calculations and disparate experimental data.

Vorheriger Artikel Enantioselective membranes prepared by electrospinning of cellulose tris(3,5-dimethylphenyl carbamate) having various degrees of polymerization: effect of the DP on the morphology

Nächster Artikel Enzymatic depolymerization of arabinoxylan from bamboo culm for high and fast production of high purity short chain xylo-oligosaccharides

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Titel: Understanding of dielectric properties of cellulose
verfasst von: Asha Yadav
Mathias Boström
Oleksandr I. Malyi
Publikationsdatum: 19.02.2024
Verlag: Springer Netherlands
Erschienen in: Cellulose / Ausgabe 5/2024
Print ISSN: 0969-0239
Elektronische ISSN: 1572-882X
DOI: https://doi.org/10.1007/s10570-024-05754-7

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