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Thibault CHARPENTIER

Service Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Énergie (NIMBE)

Laboratoire Structure et Dynamique par Résonance Magnétique (LSDRM)

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Researcherid: A-3557-2010

ORCID: 0000-0002-3034-1389

Researchgate

Position

Senior Scientist - DSM / IRAMIS / NIMBE/ LSDRM since 1998

Research Interests

 

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CV

06/2013-10/2013 Visiting Scientist at JRC-ITU (Karlsruhe) Project : MAS NMR of Actinide Compounds

2008 Accreditation to supervise research, Université Pierre et Marie Curie. "Solid state NMR of Nuclear Waste Materials"

2000 Post-doc., University of Berkeley (A. Pines)

1999 Awards, Louis Armand Prize, Académie des Sciences.

1995-1998 Ph.D. CEA Saclay, Dissertation title: High Resolution NMR fo Quadrupolar Nuclei in Solids, Université d'Orsay, Parix XI

1994-1995 Scientific Research at CEA DAM. Heavy Metal DFT calculations

1993-1994 MASTER 2 in Quantum Physics , Paris VI / ENS Ulm

1990-1994 Ecole Supérieure de Physique et Chimie Indistrielles (ESPCI) de la ville de Paris

Publications

123 publications, h-index 32

 

 

Highlights : radiological MAS NMR

The first MAS NMR experiments of a radioactive glass

Self-healing capacity of nuclear glass observed by NMR spectroscopy,

T. Charpentier, L. Martel, A.H. Mir, C. Jégou, S. Peuget, Scientific Reports 6, 25499 (2016). doi:10.1038/srep25499.

3H MAS NMR experiments

Measurement of Long-Range Interatomic Distances by Solid-State Tritium-NMR Spectroscopy,
A.K. Yuen, O. Lafon, T. Charpentier, M. Roy, F. Brunet, P. Berthault, D. Sakellariou, B. Robert, S. Rimsky, F. Pillon, J.-C. Cintrat, B. Rousseau,  J. Am. Chem. Soc. 2010, 132, 1734-+

Longest distance measured by NMR !

Spectroscopy Now.

Recent Publications

Publications récentes dans la base HAL-CEA / Recent publications within the HAL-CEA repository .

Multicomponent diffusion in sodium borosilicate glasses, Journal of Non-Crystalline Solids, H. Pablo, S. Schuller, M. Toplis, E. Couillart, S. Mostefaoui, T. Charpentier, M. Roskov. In press.

Exploration of glass domain in the SiO2-B2O3-La2O3 system, Journal of Non-crystalline Solids 476, 158-172 (2017), H. Trégouët, O. Majérus, T. Charpentier, T. Lerouge, L. Cormier, D. Caurant.

New insight into atmospheric alteration of alkali-lime silicate glasses, Corrosion Science 122, 12-25 (2017), F. Alloteau, P. Lehuédé, O. Majérus, I., Biron, A. Dervanian, T. Charpentier, D. Caurant.

Structure Study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field, The Journal of Chemical Physics 147, 161711 (2017), F. Pacaud, J.-M. Delaye, T. Charpentier, L. Cormier, M. Salanne.

Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by 45Sc / 89Y NMR Spectroscopy and DFT Calculations: What Structural Factors Dictate the Chemical Shifts? The
Journal of Physcical Chemistry C 121, 18815-18829 (2017), A. Jaworski, T. Charpentier, B. Stevensson, M. Edén.

Composite reinforcement: Recent development of continuous glass fibers, International Journal of Applied Glass Science 8, 23-36 (2017), H. Li, T. Charpentier, J. Du, S. Vennam.

Drivers of Water Transport in Glass: Chemical or Topological Effect of the Glass Network? The Journal of Physical Chemistry C 121, 16201-16215 (2017), C. Mansas, J.-M. Delaye, T. Charpentier, F. Bruguier, O. Bouty, B. Penelon, H. Arena, D. Rébiscoul.

Al and Sr environment in tectosilicate glasses and melts: Viscosity, Raman and NMR investigation, Chemical Geology 461, 115-127 (2017), A.N. Novikov, D. Neuville, L. Hennet, Y. Gueguen, D. Thiaudière, T. Charpentier, P. Florian.

ZrO2 addition in soda-lime aluminoborosilicate glasses containing rare earths: Impact on the network structure, Journal of Alloys and Compounds 714, 47-62 (2017), A. Quintas, D. Caurant, O. Majérus, P. Loiseau, T. Charpentier, J.L. Dussossoy.

ZrO2 addition in soda-lime aluminoborosilicate glasses containing rare earths: Impact on rare earths environment and crystallization, Journal of Alloys and Compounds 719, 383-391 (2017), A. Quintas, D. Caurant, O. Majérus, P. Loiseau, T. Charpentier, J.-L. Dussossoy,.

MD-GIPAW : in silico NMR of glasses

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts, The Journal of Physical Chemistry C 120, 24370-24381 (2016), Y. Ishii, M. Salanne, T. Charpentier, K. Shiraki, K. Kasahara, N. Ohtori.

Calcium environment in silicate and aluminosilicate glasses probed by 43Ca MQMAS NMR experiments and MD-GIPAW calculations, Solid State Nuclear Magnetic Resonance 68-69, 31-36 (2015), E. Gambuzzi, A. Pedone, M.C. Menziani, F. Angeli, P. Florian, T. Charpentier.

⇒ Coming soon, first release of fpNMR, a tool for processing MD-GIPAW data and simulating 1D and 2D NMR spectra.

First-Principles Calculation of 17O, 29Si and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses, J. Phys. Chem. B 108 (2004) 4147-4161, T. Charpentier, S. Ispas, M. Profeta, F. Mauri, C.J. Pickard.

Spectroscopy now

School

2011, NMR Winter School, CEA Saclay November 28 - December 2 INSTN .

EPJ Web of Conferences, NMR of Amorphous Materials , T. Charpentier (Open Access)

2017 Events

Computation of NMR properties.

Misc

2005-2011 Staff Member of GERM (http://www.germ.asso.fr)

CECAM tutorial

Calculation of Solid-State NMR Parameters Using the GIPAW Method

CECAM-ETHZ & -UZH, Zurich, Switzerland, September 21, 2009 - September 24, 2009

 

 

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