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Arenal, R., March, K., Ewels, C. P., Rocquefelte, X., Kociak, M., Loiseau, A. & Stephan, O. (2014) Atomic Configuration of Nitrogen-Doped Single-Walled Carbon Nanotubes. Nano Lett. 14 5509–5516.   
Added by: Laurent Cournède 2016-03-10 21:01:55 Pop. 0.25%
Choubrac, L., Paris, M., Lafond, A., Guillot-Deudon, C., Rocquefelte, X. & Jobic, S. (2013) Multinuclear (Zn-67, Sn-119 and Cu-65) NMR spectroscopy - an ideal technique to probe the cationic ordering in Cu2ZnSnS4 photovoltaic materials. Phys. Chem. Chem. Phys. 15 10722–10725.   
Added by: Laurent Cournède 2016-03-10 21:23:32 Pop. 0.25%
Clabau, F., Rocquefelte, X., Jobic, S., Deniard, P., Whangbo, M.-H., Garcia, A. & Le Mercier, T. (2007) On the phosphorescence mechanism in SrAl2O4 : Eu2+ and its codoped derivatives. Solid State Sci. 9 608–612.   
Added by: Laurent Cournède 2016-03-10 22:02:30 Pop. 0.25%
Das, T., Rocquefelte, X. & Jobic, S. (2020) Ab Initio Positioning of the Valence and Conduction Bands of Bulk Photocatalysts: Proposition of Absolute Reference Energy. J. Phys. Chem. C, 124 19426–19434.   
Last edited by: Richard Baschera 2020-11-17 14:08:01 Pop. 0.75%
Das, T., Rocquefelte, X., Laskowski, R., Lajaunie, L., Jobic, S., Blaha, P. & Schwarz, K. (2017) Investigation of the Optical and Excitonic Properties of the Visible Light-Driven Photocatalytic BiVO4 Material. Chemistry of Materials, 29 3380–3386.   
Last edited by: Richard Baschera 2017-07-07 14:34:57 Pop. 0.25%
Denis, G., Rocquefelte, X., Deniard, P., Whangbo, M.-H. & Jobic, S. (2009) Site preference of Eu2+ dopants in the (Ba,Sr)(13-x)Al22-2xSi10+2xO66 phosphor and its effect on the luminescence properties: a density functional investigation. J. Mater. Chem. 19 9170–9175.   
Added by: Laurent Cournède 2016-03-10 21:41:25 Pop. 0.75%
Djerdj, I., Cao, M., Rocquefelte, X., Cerny, R., Jaglicic, Z., Arcon, D., Potocnik, A., Gozzo, F. & Niederberger, M. (2009) Structural Characterization of a Nanocrystalline Inorganic-Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties. Chem. Mat. 21 3356–3369.   
Added by: Laurent Cournède 2016-03-10 21:41:23 Pop. 0.5%
El Haber, F., Rocquefelte, X., Andraud, C., Amrani, B., Jobic, S., Chauvet, O. & Froyer, G. (2012) Prediction of the transparency in the visible range of x-ray absorbing nanocomposites built upon the assembly of LaF3 or LaPO4 nanoparticles with poly(methyl methacrylate). J. Opt. Soc. Am. B-Opt. Phys. 29 305–311.   
Added by: Laurent Cournède 2016-03-10 21:28:39 Pop. 0.25%
Erbahar, D., Susi, T., Rocquefelte, X., Bittencourt, C., Scardamaglia, M., Blaha, P., Guttmann, P., Rotas, G., Tagmatarchis, N., Zhu, X., Hitchcock, A. P. & Ewels, C. P. (2016) Spectromicroscopy of C-60 and azafullerene C59N: Identifying surface adsorbed water. Sci Rep, 6 35605.   
Last edited by: Richard Baschera 2016-12-02 14:38:33 Pop. 0.25%
Ewels, C. P., Rocquefelte, X., Kroto, H. W., Rayson, M. J., Briddon, P. R. & Heggie, M. I. (2015) Predicting experimentally stable allotropes: Instability of penta-graphene. Proc. Natl. Acad. Sci. U. S. A. 112 15609–15618.   
Added by: Laurent Cournède 2016-03-10 18:36:40 Pop. 0.5%
Kitanovski, N., Borsan, N., Kasunic, M., Francetic, V., Popovic, J., Djerdj, I., Rocquefelte, X., Reedijk, J. & Kozlevcar, B. (2014) Chromium coordination compounds with bis(3,5-dimethylpyrazol-1-yl) acetic acid or its anion. Polyhedron, 70 119–124.   
Added by: Florent Boucher 2016-04-29 09:26:44 Pop. 0.25%
Lhoste, J., Galven, C., Leblanc, M., Maisonneuve, V., Rocquefelte, X., Jobic, S. & Bujoli-Doeuff, M. (2013) Crystal structure and optical properties of new 0D-hybrid hydroxyfluorotitanates. Solid State Sci. 24 101–106.   
Added by: Laurent Cournède 2016-03-10 21:23:29 Pop. 0.25%
Mitra, I., Ghosh, G. K., Mukherjee, S., Reddy, V. P. B., Linert, W., Kubel, F., Rocquefelte, X. & Moi, S. C. (2015) Pd-II-Pd-II bonding interaction in dinuclear Pd-II complex with non-macrocyclic (O\&N) chelates: Characterization, kinetics and DFT study. Polyhedron, 89 101–109.   
Added by: Laurent Cournède 2016-03-10 18:36:42 Pop. 0.25%
Renaud, A., Cario, L., Deniard, P., Gautron, E., Rocquefelte, X., Pellegrin, Y., Blart, E., Odobel, F. & Jobic, S. (2014) Impact of Mg Doping on Performances of CuGaO2 Based p-Type Dye-Sensitized Solar Cells. J. Phys. Chem. C, 118 54–59.   
Last edited by: Richard Baschera 2021-04-20 13:17:22 Pop. 0.25%
Rocquefelte, X., Schwarz, K. & Blaha, P. (2011) Comment on "High-T-c Ferroelectricity Emerging from Magnetic Degeneracy in Cupric Oxide". Phys. Rev. Lett. 107 239701.   
Added by: Laurent Cournède 2016-03-10 21:32:19 Pop. 0.25%
Rocquefelte, X., Jobic, S. & Whangbo, M.-H. (2007) Concept of optical channel as a guide for tuning the optical properties of insulating materials. Solid State Sci. 9 600–603.   
Added by: Laurent Cournède 2016-03-10 22:02:30 Pop. 0.25%
Rocquefelte, X., Clabau, F., Paris, M., Deniard, P., Le Mercier, T., Jobic, S. & Whangbo, M.-H. (2007) Resolving the aluminum ordering in aluminosilicates by a combined experimental/theoretical study of Al-27 electric field gradients. Inorg. Chem. 46 5456–5458.   
Added by: Laurent Cournède 2016-03-10 22:02:29 Pop. 0.5%
Rocquefelte, X., Schwarz, K., Blaha, P., Kumar, S. & van den Brink, J. (2013) Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide. Nat. Commun. 4 2511.   
Added by: Laurent Cournède 2016-03-10 21:23:30 Pop. 0.25%
Rocquefelte, X., Schwarz, K. & Blaha, P. (2012) Theoretical Investigation of the Magnetic Exchange Interactions in Copper(II) Oxides under Chemical and Physical Pressures. Sci Rep, 2 759.   
Added by: Laurent Cournède 2016-03-10 21:28:38 Pop. 0.25%
Roger, J., Ben Yahia, M., Babizhetskyy, V., Bauer, J., Cordier, S., Guerin, R., Hiebl, K., Rocquefelte, X., Saillard, J.-Y. & Halet, J.-F. (2006) Mn5Si3-type host-interstitial boron rare-earth metal silicide compounds RE5Si3: Crystal structures, physical properties and theoretical considerations. J. Solid State Chem. 179 2310–2328.   
Added by: Florent Boucher 2016-05-12 13:21:36 Pop. 0.25%
Sadoc, A., Body, M., Legein, C., Biswal, M., Fayon, F., Rocquefelte, X. & Boucher, F. (2011) NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations. Phys. Chem. Chem. Phys. 13 18539–18550.   
Added by: Laurent Cournède 2016-03-10 21:32:21 Pop. 0.25%
Serier-Brault, H., Thibault, L., Legrain, M., Deniard, P., Rocquefelte, X., Leone, P., Perillon, J.-L., Le Bris, S., Waku, J. & Jobic, S. (2014) Thermochromism in Yttrium Iron Garnet Compounds. Inorg. Chem. 53 12378–12383.   
Added by: Laurent Cournède 2016-03-10 21:01:54 Pop. 0.5%
Stoliaroff, A., Lecomte, A., Rubel, O., Jobic, S., Zhang, X., Latouche, C. & Rocquefelte, X. (2020) Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells. ACS Appl. Energy Mater. 3 2496–2509.   
Last edited by: Richard Baschera 2020-05-07 11:55:44 Pop. 0.5%
Thiry, A.-E., Gaudon, M., Payen, C., Daro, N., Letard, J.-F., Gorsse, S., Deniard, P., Rocquefelte, X., Demourgues, A., Whangbo, M.-H. & Jobic, S. (2008) On the cyclability of the thermochromism in CuMoO4 and its tungsten derivatives CuMo1-xWxO4 (x < 0.12). Chem. Mat. 20 2075–2077.   
Added by: Laurent Cournède 2016-03-10 21:58:42 Pop. 0.5%
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