Pure and Sc-doped diopside (CaMgSi<sub>2</sub>O<sub>6</sub>) vibrational spectra: modelling and experiments-Reference-Cited by-同舟云学术

Pure and Sc-doped diopside (CaMgSi₂O₆) vibrational spectra: modelling and experiments

Published:2024 Issue:5 Volume:26 Page:4029-4038
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bellucci Luca¹^ORCID,Cassetta Michele²³^ORCID,Skogby Henrik⁴,Nazzareni Sabrina⁵

Affiliation:

1. NEST, Istituto-Nanoscienze del Consiglio Nazionale delle Ricerche (CNR-NANO) and Scuola Normale Superiore (SNS), Piazza San Silvestro 12, Pisa, I-56127, Italy

2. Department of Industrial Engineering, University of Trento, Trento, Italy

3. Department of Engineering for Innovation Medicine, University of Verona, Italy

4. Department of Geosciences, Swedish Museum of Natural History, Stockholm, Sweden

5. Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Parma, Italy

Abstract

We investigated the structure of pure and Sc-doped synthetic diopside. In this framework, we provided a computational tool to assign vibrational modes to specific frequencies, facilitating the characterization of experimental vibrational spectra.

Funder

H2020 Future and Emerging Technologies

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP02324A

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