Stéphane Jobic
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View article: Fe-Ti vs. Fe-Fe charge transfers: A comprehensive review and its applications in minerals and glasses
Fe-Ti vs. Fe-Fe charge transfers: A comprehensive review and its applications in minerals and glasses Open
Iron-titanium (Fe-Ti) charge transfer is mentioned in numerous articles as the source of the coloration of many natural minerals and some man-made materials, but no global review of this phenomenon has been provided so far. Iron and titani…
View article: High-Fidelity Raman Spectra Simulations across Solids: Insights from GaS and GaSe, from Bulk to Layers
High-Fidelity Raman Spectra Simulations across Solids: Insights from GaS and GaSe, from Bulk to Layers Open
International audience
View article: Characterization of Co-Evaporated Cigs5 (Cu0.65in1.75ga1.4s5) Lamellar Material Used as Absorber in Thin Film Solar Cell
Characterization of Co-Evaporated Cigs5 (Cu0.65in1.75ga1.4s5) Lamellar Material Used as Absorber in Thin Film Solar Cell Open
View article: Photo-electrochemical characterization of CIGSn lamellar compounds: potential candidates for photoinduced applications
Photo-electrochemical characterization of CIGSn lamellar compounds: potential candidates for photoinduced applications Open
View article: Microstructural insights on lithium aluminum silicate (LAS) glass ceramics
Microstructural insights on lithium aluminum silicate (LAS) glass ceramics Open
View article: Stabilization of high-pressure phase of CdO by nanoparticle formation in CdxZn1-xO thin films
Stabilization of high-pressure phase of CdO by nanoparticle formation in CdxZn1-xO thin films Open
View article: Luminescence Properties of Al<sub>2</sub>O<sub>3</sub>:Ti in the Blue and Red Regions: A Combined Theoretical and Experimental Study
Luminescence Properties of Al<sub>2</sub>O<sub>3</sub>:Ti in the Blue and Red Regions: A Combined Theoretical and Experimental Study Open
Using jointly experimental results and first-principles calculations, we unambiguously assign the underlying mechanisms behind two commonly observed luminescence bands for the Al2O3 material. Indeed, we show that the …
View article: Photo-Electrochemical Characterization of Cigsn Lamellar Compounds: Potential Candidates for Photoinduced Applications
Photo-Electrochemical Characterization of Cigsn Lamellar Compounds: Potential Candidates for Photoinduced Applications Open
View article: Dual solar-driven hydrogen evolution and alcohol oxidation with CdS quantum dot-sensitized photocatalysts prepared by the SILAR methodology
Dual solar-driven hydrogen evolution and alcohol oxidation with CdS quantum dot-sensitized photocatalysts prepared by the SILAR methodology Open
The first use of the successive ionic layer adsorption and reaction (SILAR) method to grow CdS quantum dots on TiO 2 nanoparticles, achieving efficient photocatalytic alcohol oxidation and H 2 evolution without catalysts or sacrificial don…
View article: Ab-Initio Simulation of Luminescence Spectra in Solids: Hylight, an Easy-to-Use Post-Processing Software
Ab-Initio Simulation of Luminescence Spectra in Solids: Hylight, an Easy-to-Use Post-Processing Software Open
View article: Ab-Initio Simulation of Luminescence Spectra in Solids: Hylight, an Easy-to-Use Post-Processing Software
Ab-Initio Simulation of Luminescence Spectra in Solids: Hylight, an Easy-to-Use Post-Processing Software Open
View article: Wolframite-type MnMoO4: Magnetization, sintering by Cool-SPS, and magnetodielectric effect
Wolframite-type MnMoO4: Magnetization, sintering by Cool-SPS, and magnetodielectric effect Open
View article: Microscopic evidences for intercalation of nickel and iron into layered oxysulfide La2O2S2
Microscopic evidences for intercalation of nickel and iron into layered oxysulfide La2O2S2 Open
View article: Anionic Redox Topochemistry for Materials Design: Chalcogenides and Beyond
Anionic Redox Topochemistry for Materials Design: Chalcogenides and Beyond Open
Topochemistry refers to a generic category of solid-state reactions in which precursors and products display strong filiation in their crystal structures. Various low-dimensional materials are subject to this stepwise structure transformat…
View article: Synthesis of Non-centrosymmetric, Metastable Rare-Earth Oxysulfides by Anionic Redox Topochemistry
Synthesis of Non-centrosymmetric, Metastable Rare-Earth Oxysulfides by Anionic Redox Topochemistry Open
International audience
View article: A computational study of CaWO4: Raman spectrum, intrinsic defects, and excited state properties
A computational study of CaWO4: Raman spectrum, intrinsic defects, and excited state properties Open
View article: CSD 2251652: Experimental Crystal Structure Determination
CSD 2251652: 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 2251650: Experimental Crystal Structure Determination
CSD 2251650: 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 2251651: Experimental Crystal Structure Determination
CSD 2251651: 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: Revisiting the Crystal Structure of Layered Oxychalcogenides Ln<sub>2</sub>O<sub>2</sub>S<sub>2</sub> (Ln = La, Pr, and Nd)
Revisiting the Crystal Structure of Layered Oxychalcogenides Ln<sub>2</sub>O<sub>2</sub>S<sub>2</sub> (Ln = La, Pr, and Nd) Open
La2O2S2 was recently used as a precursor to prepare either a new metastable form of La2O2S by de-insertion of half of sulfur atoms of (S2) dimers or quaternary compounds by …
View article: Shortwave UV Blue Luminescence of Some Minerals and Gems Due to Titanate Groups
Shortwave UV Blue Luminescence of Some Minerals and Gems Due to Titanate Groups Open
This article reviews blue shortwave-excited luminescence (BSL) in natural minerals and synthetic materials. It also describes in detail the emission of seven minerals and gems displaying BSL, as well as three references in which BSL is cau…
View article: CSD 2098719: Experimental Crystal Structure Determination
CSD 2098719: 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 2098721: Experimental Crystal Structure Determination
CSD 2098721: 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: Thermochromic properties of pure NiTiO3 and its Cu- or Co-doped derivatives
Thermochromic properties of pure NiTiO3 and its Cu- or Co-doped derivatives Open
View article: Modeling Luminescence Spectrum of BaZrO<sub>3</sub>:Ti Including Vibronic Coupling from First Principles Calculations
Modeling Luminescence Spectrum of BaZrO<sub>3</sub>:Ti Including Vibronic Coupling from First Principles Calculations Open
Herein, we present a methodology based on constrained density functional theory and vibrational mode computations to simulate and interpret the luminescence spectra of periodic solids. A multi-dimension harmonic model is used to combine el…
View article: A themed issue dedicated to professor John B. Goodenough
A themed issue dedicated to professor John B. Goodenough Open
This Special Issue of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.Goodenough re…
View article: Computational analysis on native and extrinsic point defects in YAG using the metaGGA SCAN method
Computational analysis on native and extrinsic point defects in YAG using the metaGGA SCAN method Open
View article: Thermochromic properties of NiTiO3
Thermochromic properties of NiTiO3 Open
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View article: A Theoretical Discussion on the Stability of (O<sub>2</sub>)<sup>−</sup> and (S<sub>2</sub>)<sup>−</sup> Species in KCl and KBr Salts: Luminescence Spectra and Defect Energy Formation
A Theoretical Discussion on the Stability of (O<sub>2</sub>)<sup>−</sup> and (S<sub>2</sub>)<sup>−</sup> Species in KCl and KBr Salts: Luminescence Spectra and Defect Energy Formation Open
International audience
View article: A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary Open
This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.