Curriculum Vitae
Maître de Conférences à l’académie militaire de Saint-Cyr Coëtquidan.
Chercheur associé à l’équipe de Chimie Théorique Inorganique (CTI), ISCR - UMR CNRS 6226
Articles
2- and 2, 7-Substituted para-N-Methylpyridinium Pyrenes: Syntheses, Molecular and Electronic Structures, Photophysical, Electrochemical, and Spectrochemical Properties and Binding to Double-Stranded (ds) G. K. Kole, J. Merz, A. Amar, B. Fontaine, A. Boucekkine, J. Nitsch, S. Lorenzen, A. Friedrich, I. Krummenacher, M. Koscak, H. Braunschweig, I. Piantanida, J.-F. Halet, K. Müller-Buschbaum, T. Marder
Chem. Eur. J. 2021, 27, 1-18
Tailoring the Thermoelectric and Structural Properties of Cu-Sn based Thiospinel Compounds [CuM1+xSn1xS4 (M = Ti, V, Cr, Co)]
C. Bourgès, B. Srinivasan, B. Fontaine, P. Sauerschnig, A. Minard, J.-F. Halet, Y. Miyazaki, D. Berthebaud, T. Mori
J. Mater. Chem. C 2020, 8, 16368-16383
Rare-earth Metal Borosilicides R9Si15-xB3 (R = Tb, Yb): New Ordered Structures Derived from the AlB2 Structure Type
V. Babizhetskyy, V. Levytskyy, R. Jardin, J. Bauer, R. Guérin, R. Gautier, B. Fontaine, J._F. Halet
Z. Anorg. Allg. Chem. 2020, 646, 1168-1175
Is the Alumino-boron Carbide Al3BC a Promising Thermoelectric Material? A Computational Exploration A. Huguenot, A. Riot, B. Boucher, B. Fontaine, S. Cordier, R. Al Rahal Orabi, H. Hillebrecht, T. Mori, J.-F. Halet, R. Gautier
Solid State Sci. 2020, 104, 106205
Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19
P. Gougeon, P. Gall, R. Al Rahal Orabi, B. Boucher, B. Fontaine, R. Gautier, A. Dauscher, C. Candolfi, B. Lenoir
Inorg. Chem. 2019, 58, 9, 5533-5542
Realizing a Stable High Thermoelectric zT 2 Over a Broad Temperature Range in Ge1−x−yGaxSbyTe Via
Band Engineering and Hybrid Flash-SPS Processing
B. Srinivasan, A. Gellé, F. Gucci, C. Boussard-Plédel, B. Fontaine, R. Gautier, J.-F. Halet, M. Reece, B. Bureau
Inorg. Chem. Frontiers 2019
Effect of the Processing Route on the Thermoelectric Performance of Nanostructured CuPbSbTe
B. Srinivasan, B. Fontaine, F. Gucci, V. Dorcet, T. G. Saunders, M. Yu, F. Cheviré, C. Boussard-Plédel, J.F. Halet, R. Gautier, M. J. Reece, B. Bureau
Inorg. Chem. 2018, 57, 12976-12986
Impact of Coinage Metal Insertion on the Thermoelectric Properties of GeTe Solid-State Solutions B. Srinivasan, R. Gautier,F. Gucci, B. Fontaine, J.-F. Halet, F. Cheviré, C. Boussard-Pledel, M. J. Reece, B. Bureau
J. Phys. Chem. C 2018, 122, 227-235.
Toward the Prediction of the Transport Properties of Cluster-Based Molybdenum Chalcogenides
R. Al Rahal Orabi, B. Boucher, B. Fontaine, P. Gall, C. Candolfi, B. Lenoir, P. Gougeon, J.-F. Halet, R. Gautier
J. Mater. Chem. C 2017, 5, 12097-12104
Enhancement of the Thermoelectric Properties of FeGa3-type Structures with Group 6 Transition Metals: A Computational Exploration
B. Boucher, R. Al Rahal Orabi, B. Fontaine, Y. Grin, R. Gautier, J.-F. Halet
Inorg. Chem. 2017, 56, 4229-4237
Sb Doping of Metallic CuCr2S4 as a Route to Highly Improved Thermoelecrtic Properties
U. Khan, R. Al Rahal Orabi, A. Pakdel, J.-B. Vaney, B. Fontaine, R. Gautier, J.-F. Halet, S. Mitani, T. Mori
Chem. Mater. 2017, 29, 2988-2996.
Ultralow lattice Thermal Conductivity and Enhanced Thermoelectric Performance in SnTe:Ga Materials R. Al Rahal Orabi, J. Hwang, C.-C. Lien, R. Gautier, B. Fontaine, W. Kim, J.-S. Rhyee, D. Wee, M. Fornari
Chem. Mater. 2017, 29(2), 612-620.
Cu Insertion into the Mo12 Cluster Compound Cs2Mo12Se14 : Synthesis, Crystal and Electronic Structures, and Physical Properties
R. Al Rahal Orabi, B. Fontaine, R. Gautier, P. Gougeon, P. Gall, Y. Bouyrie, A. Dauscher, C. Candolfi, B. Lenoir
Inorg. Chem. 2016, 55, 6616.
Structural and Electronic Structures of Alkaline-earth Transition Metal Oxynitride Perovskites
E. Orisakwe, R. Marchal, B. Fontaine, R. Gautier, J.-F. Halet
Ceram. Soc. Jpn. 2016, 124(10), 1056.
Combined Theoretical and Time-resolved Photoluminescence Investigations of [Mo6Br8iBr6a]2− Metal
Cluster Units : Evidence of Dual Emission
Costuas, A. Garreau, A. Bulou, B. Fontaine, J. Cuny, R. Gautier, M. Mortier, Y. Molard, J.-L. Duvail, E. Faulques, S. Cordier
Phys. Chem. Chem. Phys., 2015, 17, 28574.
Prediction of High Thermoelectric Potential in AMN2 Layered Nitrides : Electronic Structure, Phonons, and Anharmonic Effects
R. Al Rahal Orabi, E. Orisakwe, D. Wee, B. Fontaine, R. Gautier, J.-F. Halet, M. Fornari
J. Mater. Chem. A, 2015, 3, 9945.
X-ray Characterisation, Electronic Band Structure, and Thermoelectric Properties of the Cluster Compound
Ag2Tl2Mo9Se11
R. Al Rahal Orabi, P. Gougeon, P. Gall, B. Fontaine, R. Gautier, M. Colin, C. Candolfi, A. Dauscher, J. Hejtmanek, B. Malaman, B. Lenoir
Inorg. Chem., 2014, 53, 11699-11709.
Comprehensive Study of the Low-Temperature Transport and Thermodynamic Properties of the Cluster Compounds AgxMo9Se11 (3.41 < x < 3.78)
T. Zhou, M. Colin, C. Candolfi, C. Boulanger, A. Dauscher, E. Santava, J. Hejtmanek, P. Baranek, R. Al Rahal Al Orabi, M. Potel, B. Fontaine, P. Gougeon, R. Gautier, B. Lenoir
Chem. Mater., 2014, 26, 4765-4775.
Theoretical Study on the Structural, Electronic and Physical Properties of Layered Alkaline-Earth Group-4 Transition-Metal Nitrides AEMN2
E. Orisakwe, B. Fontaine, D. H. Gregory, R. Gautier, J.-F. Halet
RSC Adv., 2014, 4, 1840618418.
Thermotropic Luminescent Clustomesogen Showing a Nematic Phase : A Combination of Experimental and
Molecular Simulation Studies M. A. Cortes, F. Dorson, M. Prévôt, A. Ghoufi, B. Fontaine, F. Goujon, R. Gautier, V. Cîrcu, C. Mériadec, F. Artzner, H. Folliot, S. Cordier, Y. Molard
Chem. Eur. J., 2014, 20, 1-6.
Synthesis, Crystal and Electronic Structures and Magnetic Properties of Li2SnMo3O8 :A Novel Reduced
Molybdenum Oxide Containing Mo3O13 Cluster Units
R P. Gall, R. Al Rahal Al Orabi, T. Guizouarn, J. Cuny, B. Fontaine, R. Gautier, P. Gougeon
J. Solid State Chem. 2013, 201, 312-316
Theoretical Analysis of the Structure and Bonding in Electron-rich Edge-bridged Octahedral Tungsten Chloride Clusters
N. Nebbache, B. Fontaine, H.-Jurgen Meyer, R. Gautier, J.-F. Halet
Solid State Sci. 2013, 19, 150-155.
Unprecedented Electron-Poor Octahedral Ta6 Clusters in a Solid State Compound: Synthesis,
Characterizations and Theoretical Investigations of Cs2BaTa6Br15O3
Demont, O. Hernandez, E. Elkaïm, S. Paofaï, C. Prestipino, N. Naumov, B. Fontaine, R. Gautier, S. Cordier
Chem. Eur. J. 2013, 19, 12711-12719.
Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound
Ag3In2Mo15Se19
P. Gougeon, P. Gall, R. Al Rahal Al Orabi, B. Fontaine, R. Gautier, M. Potel, T. Zhou, B. Lenoir, M. Colin, C. Candolfi, A. Dauscher
Chem. Mater. 2012, 24, 2899-2908.
95Mo Nuclear Magnetic Resonance Parameters of Molybdenum Hexacarbonyl from Density Functional Theory : Appraisal of Computational and Geometrical Parameters J. Cuny, K. Sykina, B. Fontaine, L. Le Pollès, C. J. Pickard, R. Gautier
Phys. Chem. Chem. Phys. 2011, 13, 19471-19479.
Octahedral Niobium Cluster-based Solid-State Halides and Oxyhalides : Effects of the Cluster
Condensation via an Oxygen Ligand on Electronic and Magnetic Properties
Fontaine, S. Cordier, R. Gautier, F. Gulo, J.-F. Halet, B. Peric, C. Perrin
New J. Chem. 2011, 35, 1911-1930.
Isomery of [Re6S6Br8] and [Re6S5Br9] Units in a Rhenium Cluster Thiobromide : Experimental and Theoretical Approaches
B. Fontaine, R. Gautier, G. Pilet, S. Cordier, C. Perrin, A. Perrin, Y. V. Mironov
Clust. Sci. 2009, 20, 145-151.
Synthesis, Crystal and Electronic Structures, and Physical Properties of the Novel Compounds
LaR4Mo36O52 (R = Dy, Er, Yb, and Y) Containing Infinite Chains of Trans-Edge-Shared Mo6 Octahedra and Mo2 Pairs and Rectangular Mo4 Clusters with Triple Mo-Mo Bonds N. Barrier, P. Gougeon, B. Fontaine, S. Pierrefixe, R. Gautier
Inorg. Chem. 2009, 48, 38483856.
Unusual Coexistence of Magnetic and Nonmagnetic Mo6 Octahedral Clusters in Chalcohalide Solid
Solution : Synthesis, X-ray Diffraction, EPR, and DFT Investigations of Cs3Mo6I6iI2i−xSeixI6a
Kirakci, S. Cordier, A. Shames, B. Fontaine, O. Hernandez, E. Furet, J.-F. Halet, R. Gautier, C. Perrin
Chem. Eur. J. 2007, 13, 9608-9616
Synthesis and Crystal and Electronic Structures of the Na2(Sc4Nb2)(Nb6O12)3 Octahedral Niobium Cluster Oxide. Structural Correlations between AnBM6L12(Z) Series and Chevrel Phases
S. Cordier, K. Kirakci, B. Fontaine, J.-F Halet, R. Gautier, C. Perrin
Inorg. Chem. 2006, 45, 883-893.