218 citations
- Université de RennesFR111 papers
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- Fonctions Optiques pour les Technologies de l’informationFR20 papers
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9 papers · 1 filter
Defect tolerance of lead-halide perovskite (100) surface relative to bulk: band bending, surface states, and characteristics of vacancies
Oleg Rubel, Xavier Rocquefelte
We characterized the formation of vacancies at a surface slab model and contrasted the results with the bulk of lead-halide perovskites using cubic and tetragonal CsPbI as repr…
Excited states of polonium(IV): Electron correlation and spin-orbit coupling in the Po^{4+} free ion and in the bare and solvated [PoCl5]^- and [PoCl6]^{2-} complexes
Nadiya Zhutova, Florent Réal, Eric Renault +2
Polonium (Po, Z = 84) is a main-block element with poorly known physico-chemical properties. Not much information has been firmly acquired since its discovery by Marie and Pierre C…
Fluctuation, insulation and superconductivity: the pressure-dependent phase-diagram of RbMoSe
Yongsheng Zhao, Alexander P. Petrović, Patrick Gougeon +4
The quasi-one-dimensional (q1D) material RbMoSe has been proposed to display a nontrivial combination of low-dimensional fluctuations and a dynamical charge density wav…
A high-resolution spectroscopic analysis of aminoacrylonitrile and an interstellar search towards G+0.693
D. Alberton, V. Lattanzi, C. Endres +5
Cyanides, ranging from three carbon atoms to PAHs, and alkenyl compounds are abundant in the interstellar medium (ISM). Aminoacrylonitrile (3-Amino-2-propenenitrile, HN-CH=CH…
Rotational spectroscopy of oxirane-\textit{2,2}-, -CDCHO, and its tentative detection toward IRAS 162932422~B
Holger S. P. Müller, Jes K. Jørgensen, Jean-Claude Guillemin +2
We prepared a sample of oxirane doubly deuterated at one C atom and studied its rotational spectrum in the laboratory for the first time between 120~GHz and 1094~GHz. Accurate spec…
Discovery of CH3CHCO in TMC-1 with the QUIJOTE line survey
R. Fuentetaja, C . Bermúdez, C. Cabezas +9
We report the detection of methyl ketene towards TMC-1 with the QUIJOTE line survey. Nineteen rotational transitions with rotational quantum numbers ranging from J = 3 up to J = 5…