Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study

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• 作者：Siddheshwar Chopra ^{schopra1@amity.edu}
• 关键词：Graphene/PVDF ; Nanocomposite ; DFT/TDDFT ; Electronic properties ; Optical absorption
• 刊名：Materials Chemistry and Physics
• 出版年：2017
• 出版时间：15 January 2017
• 年：2017
• 卷：186
• 期：Complete
• 页码：159-166
• 全文大小：1182 K
• 卷排序：186

文摘

Various properties of graphene-PVDF nanocomposites were studied theoretically. Electronic gap of graphene shifts to conducting nature, on composite formation. Adsorption is spontaneous above ∼870 K, and endothermic in nature. B3LYP and PBE0 functionals are suitable in describing absorption. Optical absorption gets enhanced on nanocomposite formation.