NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations

Xavier Rocquefelte , Aymeric Sadoc , Mamata Biswal , Monique Body
Physical Chemistry Chemical Physics 13 ( 41) 18539 -18550

82
2011
Crystal structure and charge order below the metal–insulator transition in the vanadium bronze β-SrV6O15

Etienne Janod , Florent Boucher , Claire Sellier
Solid State Sciences 5 ( 4) 591 -599

25
2003
Experimental and theoretical investigations of friction properties of graphite intercalated compounds.

Karl Delbe , Rene Vangelisti , Jean-Louis Mansot , Florent Boucher
40th Leeds-Lyon Symposium on Tribology & Tribochemistry Forum 2013

1
2013
Why Na Batteries Could Outperform Li Ones

Joël Gaubicher , Philippe Moreau , Marine Cuisinier , Patrick Soudan
Meeting Abstracts ( 2) 296 -296

2014
EELS determination of lithium insertion sites in a possible new negative electrode for Li-ion battery

V Mauchamp , P Moreau , Laure Monconduit , Marie-Liesse Doublet
Lithium Battery Discussions, LiBD

2005
Electron energy loss spectroscopy of LixTiP4, a possible negative electrode for lithium-ion batteries

V Mauchamp , P Moreau , Laure Monconduit , Marie-Liesse Doublet
European Microscopy Congress

2004
A DFT study of lithium battery materials: application to the β-VOXO4 systems (X=P, As, S)

Maxence Launay , Florent Boucher , Pascal Gressier , Guy Ouvrard
Journal of Solid State Chemistry 176 ( 2) 556 -566

15
2003
Charge‐doped nickel oxide, Y1.90Ca0.10BaNiO5

François-Xavier Lannuzel , Florent Boucher , Christophe Payen
Acta Crystallographica Section E-structure Reports Online 57 ( 8)

1
2001
Grafting Spiropyran Molecular Switches on TiO2: A First-Principles Study

Anouar Belhboub , Florent Boucher , Denis Jacquemin
Journal of Physical Chemistry C 120 ( 32) 18281 -18288

5
2016
Synthesis and Structure Resolution of RbLaF4

Anne-Laure Rollet , Mathieu Allix , Emmanuel Veron , Michael Deschamps
Inorganic Chemistry 51 ( 4) 2272 -2282

25
2012
Investigating the crystal structures of alkali and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid

Éric Quarez , Élise Deunf , Vincent Cadiou , Thibaut Gutel
CrystEngComm 19 ( 45) 6787 -6796

3
2017
Enhanced Stability and Band Gap Tuning of α-[HC(NH2)2]PbI3 Hybrid Perovskite by Large Cation Integration

Antonin Leblanc , Nicolas Mercier , Magali Allain , Jens Dittmer
ACS Applied Materials & Interfaces 11 ( 23) 20743 -20751

42
2019
Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12

Mario Burbano , Dany Carlier , Florent Boucher , Benjamin J. Morgan
Physical Review Letters 116 ( 13) 135901 -135901

29
2016
A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms system

Gaël Donval , Philippe Moreau , Julien Danet , Séverine Jouanneau-Si Larbi
Physical Chemistry Chemical Physics 19 ( 2) 1320 -1327

8
2017
Structural Investigation of α- and β-Sodium Hexafluoroarsenate, NaAsF6, by Variable Temperature X-ray Powder Diffraction and Multinuclear Solid-State NMR, and DFT Calculations

Mamata Biswal , Monique Body , Christophe Legein , Gwenaël Corbel
Journal of Physical Chemistry C 116 ( 21) 11682 -11693

12
2012
Simulation of NMR Fermi Contact Shifts for Lithium Battery Materials: The Need for an Efficient Hybrid Functional Approach

Yuesheng Zhang , Aurore Castets , Dany Carlier , Michel Ménétrier
Journal of Physical Chemistry C 116 ( 33) 17393 -17402

19
2012
Origin of the 3.6 V to 3.9 V voltage increase in the LiFeSO4F cathodes for Li-ion batteries

Mouna Ben Yahia , Frédéric Lemoigno , Gwenaëlle Rousse , Florent Boucher
Energy and Environmental Science 5 ( 11) 9584 -9594

45
2012
How Adsorption Onto TiO2 Modifies the Properties of Multiswitchable DTE Systems: Theoretical Insights

Kathy J. Chen , Florent Boucher , Denis Jacquemin
Journal of Physical Chemistry C 119 ( 29) 16860 -16869

6
2015
Some Factors Governing Ag+ and Cu+ Low Coordination in Chalcogenide Environments

Etienne Gaudin , Florent Boucher , Michel Evain
Journal of Solid State Chemistry 160 ( 1) 212 -221

24
2001