Thibault Broux
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View article: CCDC 2168613: Experimental Crystal Structure Determination
CCDC 2168613: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2168615: Experimental Crystal Structure Determination
CCDC 2168615: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2168616: Experimental Crystal Structure Determination
CCDC 2168616: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2168614: Experimental Crystal Structure Determination
CCDC 2168614: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2168619: Experimental Crystal Structure Determination
CCDC 2168619: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CSD 2245831: Experimental Crystal Structure Determination
CSD 2245831: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2232746: Experimental Crystal Structure Determination
CSD 2232746: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2245832: Experimental Crystal Structure Determination
CSD 2245832: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Perovskite or Not Perovskite? A Deep‐Learning Approach to Automatically Identify New Hybrid Perovskites from X‐ray Diffraction Patterns
Perovskite or Not Perovskite? A Deep‐Learning Approach to Automatically Identify New Hybrid Perovskites from X‐ray Diffraction Patterns Open
Determining the crystal structure is a critical step in the discovery of new functional materials. This process is time consuming and requires extensive human expertise in crystallography. Here, a machine‐learning‐based approach is develop…
View article: CSD 2073950: Experimental Crystal Structure Determination
CSD 2073950: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073951: Experimental Crystal Structure Determination
CSD 2073951: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073952: Experimental Crystal Structure Determination
CSD 2073952: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073949: Experimental Crystal Structure Determination
CSD 2073949: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073953: Experimental Crystal Structure Determination
CSD 2073953: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073948: Experimental Crystal Structure Determination
CSD 2073948: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2073954: Experimental Crystal Structure Determination
CSD 2073954: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2079673: Experimental Crystal Structure Determination
CSD 2079673: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2079676: Experimental Crystal Structure Determination
CSD 2079676: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2079675: Experimental Crystal Structure Determination
CSD 2079675: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2079674: Experimental Crystal Structure Determination
CSD 2079674: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Anion ordering enables fast H <sup>−</sup> conduction at low temperatures
Anion ordering enables fast H <sup>−</sup> conduction at low temperatures Open
Layered anion order in Ba 2 H 3 X ( X = halogen) stabilizes its high-symmetry structure, enabling excellent H − conduction below 300°C.
View article: Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors
Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors Open
Most solid-state materials are composed of p-block anions, only in recent years the introduction of hydride anions (1s 2 ) in oxides (e.g., SrVO 2 H, BaTi(O,H) 3 ) has allowed the discovery of various interesting properties. Here we exploi…
View article: Density Functional Theory-Assisted <sup>31</sup>P and <sup>23</sup>Na Magic-Angle Spinning Nuclear Magnetic Resonance Study of the Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub>–Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>FO<sub>2</sub> Solid Solution: Unraveling Its Local and Electronic Structures
Density Functional Theory-Assisted <sup>31</sup>P and <sup>23</sup>Na Magic-Angle Spinning Nuclear Magnetic Resonance Study of the Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub>–Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>FO<sub>2</sub> Solid Solution: Unraveling Its Local and Electronic Structures Open
The local and electronic structures of Na3V2(PO4)2F3–Na3V2(PO4)2FO2 electrode materials have been investigated by a combination of 23Na and 31P magic-angle spinning NMR spectroscopy and density functional theory calculations. The spin dist…
View article: High-Pressure Polymorphs of LaHO with Anion Coordination Reversal
High-Pressure Polymorphs of LaHO with Anion Coordination Reversal Open
Two novel high-pressure polymorphs of lanthanum oxyhydride have been successfully predicted and stabilized under pressure. When reacted at 3 GPa, the fluorite structure of LaHO with anion-centered tetrahedral (HLa4/OLa4) geometry is transf…
View article: Aluminum substitution for vanadium in the Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub> and Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>FO<sub>2</sub> type materials
Aluminum substitution for vanadium in the Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub> and Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>FO<sub>2</sub> type materials Open
Investigation of the effects of Al substitution for V on the structural properties and electrochemical performances for two of the most promising positive electrode materials for Na-ion batteries, Na3V2(PO4)2F3 and Na3V2(PO4)2FO2.
View article: High Rate Performance for Carbon‐Coated Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub> in Na‐Ion Batteries
High Rate Performance for Carbon‐Coated Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub> in Na‐Ion Batteries Open
The electrochemical and structural properties of a series of three different Na 3 V 2 (PO 4 ) 2 F 3 samples (with or without carbon coatings of different natures), obtained via different synthesis methods, are compared through operando hig…
View article: Electrochemical Intercalation of Calcium and Magnesium in TiS<sub>2</sub>: Fundamental Studies Related to Multivalent Battery Applications
Electrochemical Intercalation of Calcium and Magnesium in TiS<sub>2</sub>: Fundamental Studies Related to Multivalent Battery Applications Open
A comparative study of the electrochemical intercalation of Ca2+ and Mg2+ in layered TiS2 using alkylcarbonate-based electrolytes is reported, and for the first time, reversible electrochemical Ca2+ insertion is proved in this compound usi…
View article: CSD 1870035: Experimental Crystal Structure Determination
CSD 1870035: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1870029: Experimental Crystal Structure Determination
CSD 1870029: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…