Oxysulfide Ba5(VO2S2)2(S2)2 Combining ...
Type de document :
Article dans une revue scientifique: Article original
URL permanente :
Titre :
Oxysulfide Ba5(VO2S2)2(S2)2 Combining Disulfide Channels and Mixed-Anion Tetrahedra and Its Third-Harmonic-Generation Properties
Auteur(s) :
ALMOUSSAWI, Batoul [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Huvé, Marielle [Auteur]
Dupray, Valérie [Auteur]
Clevers, Simon [Auteur]
Duffort, Victor [Auteur]
Mentré, Olivier [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Huvé, Marielle [Auteur]
Dupray, Valérie [Auteur]
Clevers, Simon [Auteur]
Duffort, Victor [Auteur]
Mentré, Olivier [Auteur]
Titre de la revue :
INORGANIC CHEMISTRY
Nom court de la revue :
Inorg. Chem.
Numéro :
59
Pagination :
5907-5917
Éditeur :
American Chemical Society (ACS)
Date de publication :
2020-04-22
Résumé en anglais : [en]
Mixed-anion compounds are among the most promising systems to design functional materials with enhanced properties. In particular, heteroleptic environments around transition metals allow tuning of the polarity or band-gap ...
Lire la suite >Mixed-anion compounds are among the most promising systems to design functional materials with enhanced properties. In particular, heteroleptic environments around transition metals allow tuning of the polarity or band-gap engineering for instance. We present the original oxysulfide Ba5(VO2S2)2(S2)2, the fifth member in the quaternary system Ba–V–S–O. It exhibits the mixed-anion building units V5+O2S2 and isolated disulfide pairs (S2)2–. The structure is solved by combining single-crystal and powder X-ray diffraction and transmission electron microscopy. First-principles calculations were combined in order to highlight the anion roles. In particular, our density functional theory study shows that the 3p states of the disulfide pairs dictate the band gap. In this study, we point out anionic tools for band-gap engineering that can be useful for the design of phases for numerous applications. Finally, third harmonic generation (THG) was measured and compared to the large THG observed for Cu2O, which reveals the potential for nonlinear-optical properties that should be further investigated.Lire moins >
Lire la suite >Mixed-anion compounds are among the most promising systems to design functional materials with enhanced properties. In particular, heteroleptic environments around transition metals allow tuning of the polarity or band-gap engineering for instance. We present the original oxysulfide Ba5(VO2S2)2(S2)2, the fifth member in the quaternary system Ba–V–S–O. It exhibits the mixed-anion building units V5+O2S2 and isolated disulfide pairs (S2)2–. The structure is solved by combining single-crystal and powder X-ray diffraction and transmission electron microscopy. First-principles calculations were combined in order to highlight the anion roles. In particular, our density functional theory study shows that the 3p states of the disulfide pairs dictate the band gap. In this study, we point out anionic tools for band-gap engineering that can be useful for the design of phases for numerous applications. Finally, third harmonic generation (THG) was measured and compared to the large THG observed for Cu2O, which reveals the potential for nonlinear-optical properties that should be further investigated.Lire moins >
Audience :
Non spécifiée
Établissement(s) :
Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois
CNRS
Centrale Lille
ENSCL
Univ. Artois
Collections :
Équipe(s) de recherche :
Matériaux inorganiques, structures, systèmes et propriétés (MISSP)
Date de dépôt :
2020-09-22T08:33:11Z
Fichiers
- acs.inorgchem.9b03674.pdf
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