ArticleInternational journal of molecular sciences2022
Virtual Vibrational Analytics of Reduced Graphene Oxide.
Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed.
- A Neoteric View ofNanomaterials (Basel, Switzerland) · 2023Review
- Digital Twins Solve the Mystery of Raman Spectra of Parental and Reduced Graphene Oxides.Nanomaterials (Basel, Switzerland) · 2022Article
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2 authors.
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Abstract
The digital twin concept lays the foundation of the virtual vibrational analytics suggested in the current paper. The latter presents extended virtual experiments aimed at determining the specific features of the optical spectra of the studied molecules that provide reliable express analysis of the body spatial structure and chemical content. Reduced graphene oxide was selected as the virtual experiment goal. A set of nanosize necklaced graphene molecules, based on the same graphene domain but differing by the necklace contents, were selected as the relevant DTs. As shown, the Raman spectra signatures contained information concerning the spatial structure of the graphene domains, while the molecule necklaces were responsible for the IR spectra. Suggested sets of general frequency kits facilitate the detailed chemical analysis. Express analysis of a shungite carbon, composed of rGO basic structural units, revealed the high ability of the approach.
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