ArticleNanomaterials (Basel, Switzerland)2022
Digital Twins Solve the Mystery of Raman Spectra of Parental and Reduced Graphene Oxides.
Article in Nanomaterials (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- Article
- A Neoteric View ofNanomaterials (Basel, Switzerland) · 2023Review
- Humidity Effect on Low-Temperature NHSensors (Basel, Switzerland) · 2023Article
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Abstract
Digital Twins concept presents a new trend in virtual material science, common to all computational techniques. Digital twins, virtual devices and intellectual products, presenting the main constituents of the concept, are considered in detail on the example of a complex problem, which concerns an amazing identity of the D-G-doublet Raman spectra of parental and reduced graphene oxides. Digital twins, presenting different aspects of the GO and rGO structure and properties, were virtually synthesized using a spin-density algorithm emerging from the Hartree-Fock approximation. Virtual device presents AM1 version of the semi-empirical unrestricted HF approximation. The equilibrium structure of the twins as well as virtual one-phonon harmonic spectra of IR absorption and Raman scattering constitute a set of intellectual products. It was established that in both cases the D-G doublets owe their origin to the
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