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Spectroscopies vibrationnelles Infrarouge et Raman
(3) Production(s) de l'année 2019
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Infrared and Raman spectroscopy of non-conventional hydrogen bonding between N,N'-disubstituted urea and thiourea groups: a combined experimental and theoretical Investigation 
Auteur(s): Le Parc R., Freitas Vania, Hermet P., Cojocariu Ana, Cattoen Xavier, Wadepohl Hubert, Maurin D., Tse Cheuk, Bartlett John, Ferreira Rute, Carlos Luis, Wong Chi Man Michel, Bantignies J.-L.
(Article) Publié:
Physical Chemistry Chemical Physics, vol. 21 p.3310-3317 (2019)
Texte intégral en Openaccess : 
Ref HAL: hal-03101986_v1
DOI: 10.1039/c8cp06625f
Exporter : BibTex | endNote
Résumé: The variety of H bond (HB) interactions is a source of inspiration for bottom-up molecular engineering through self-aggregation. Non-conventional intermolecular HBs between N,N0disubstituted urea and thiourea are studied in detail by vibrational spectroscopies and ab initio calculations. Raman and IR mode assignments are given. We show that it is possible to study selectively the different intermolecular bifurcated intra-and inter-dimer HBs with the two types of HB acceptors. Through the ab initio calculation, the thioamide I mode, a specific marker of N-H … S=C HB interactions, is unambiguously identified.
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Au-covered hollow urchin-like ZnO nanostructures for surface-enhanced Raman scattering sensing
Auteur(s): Graniel Octavio, Iatsunskyi Igor, Coy Emerson, Humbert Christophe, Barbillon Grégory, Michel T., Maurin D., Balme Sébastien, Miele Philippe, Bechelany Mikhael
(Article) Publié:
Journal Of Materials Chemistry C, vol. 7 p.15066-15073 (2019)
Texte intégral en Openaccess :
Ref HAL: hal-02537077_v1
DOI: 10.1039/C9TC05929F
WoS: 000506890600029
Exporter : BibTex | endNote
9 Citations
Résumé: Au-covered hollow urchin-like ZnO nanostructures were prepared with controlled size by combining nanosphere lithography (NSL), atomic layer deposition (ALD), electrodeposition, and electron beam (e-beam) evaporation. The optimal Au film thickness for sensing applications was determined by measuring the surface-enhanced Raman scattering (SERS) intensities of the substrates. Furthermore, the sensing performances of these hybrid nanostructures have been investigated by using chemical and biological molecules: thiophenol and adenine, respectively. Limits of detection (LOD) of 10 À8 M and 10 À6 M were found for the detection of thiophenol and adenine, respectively. Additionally, the excellent uniformity and batch-to-batch reproducibility of the substrates make them excellent candidates for reliable SERS sensing and biosensing.
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Lattice Dynamics Study of Thermoelectric Oxychalcogenide BiCuChO (Ch = Se, S)
Auteur(s): Viennois Romain, Hermet P., Beaudhuin Mickael, Bantignies J.-L., Maurin D., Pailhes S., Fernandez-Diaz M. T., Koza M.M., Barreteau Céline, Dragoe Nita, Berardan David
(Article) Publié:
The Journal Of Physical Chemistry C, vol. 123 p.16046-16057 (2019)
Ref HAL: hal-02273078_v1
DOI: 10.1021/acs.jpcc.9b04806
WoS: 000474796600017
Exporter : BibTex | endNote
4 Citations
Résumé: The BiCuSeO-based compounds with very low thermal conductivity are among the most promising thermoelectric materials recently discovered. Their lattice dynamics, which remains mostly unexplored experimentally, is investigated in this paper. We report Raman experiments on BiCuSe1–xSxO solid solutions and infrared experiments on BiCuSeO and BiCuSO alloys coupled to first-principles-based calculations. We have observed that the high-energy A1g Raman-active mode strongly depends on the chalcogen content. We also report the density functional theory calculations of the dielectric and elastic constants, the phonons in the whole Brillouin zone, and the thermodynamic properties. We have determined the thermal expansion of BiCuSeO at room temperature from neutron diffraction experiments and evaluated its thermodynamic Grüneisen parameter and found a quite large value compared to other thermoelectric materials, which confirms the large anharmonicity of BiCuSeO.
Commentaires: jp9b04806_si_001.pdf (1.0 MB)
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