Centre d’Élaboration de Matériaux et d’Etudes Structurales (UPR 8011)


Accueil > Pages personnelles

Xavier Bouju

CNRS

JPEG - 58.5 ko

Dr. Xavier BOUJU
Research director - CNRS
CEMES-CNRS (UPR 8011), Groupe NanoSciences
Bât F picoLab
29 Rue J. Marvig, BP 94347
31055 Toulouse Cedex 4 (France)
+33 (0)562 25 781
xavier.bouju chez cemes.fr

 

 

 

 

 

 


 Research activity

I am a CNRS research scientist working in CEMES-CNRS. My current research deals with calculations on chemical and physical properties of single molecules and molecular assemblies interacting with metallic, semiconducting, and insulating surfaces, with an emphasis on STM and AFM images calculations.

Keywords : adsorption, single molecule, self-assembly, STM, AFM, image calculations, optical force. Nanosciences. Nano-mechanics. Molecular dynamics and molecular mechanics.


Positions

2013 – now : CNRS Research director,Centre d’élaboration de matériaux et d’études structurales-CEMES (Toulouse, France)

2002 – 2013 : CNRS Research scientist,Centre d’élaboration de matériaux et d’études structurales-CEMES (Toulouse, France)
1996 – 2002 : CNRS Research scientist, Molecular Physics Laboratory-LPM (Besançon, France)
1995 – Post-doctoral position, Solid state physics Laboratory-LPS (Namur, Belgium)
1994 – Military service (Coetquidan and Satory, France)
1985–1993 – University education


Education

2009 Habilitation à diriger des recherches (HDR), Université Paul Sabatier, Toulouse.
1991-1993  PhD thesis in Physics, mention « Très Honorable avec les félicitations écrites du Jury », Université de Franche-Comté (Besançon), Laboratoire de physique moléculaire (under the supervision of Ch. Girard)
1990-1991  DEA (Master2) Acousto-opto-électronique et mécanique des structures, Université de Franche- Comté (Besançon), mention bien.
1988-1990 Licence and master in physics, Université de Franche-Comté (Besançon), mentions assez bien.


Administration responsabilities

 

2016 - now Deputy-director Labex NEXT.

2009 - now Nominated member "collège scientifique Physique, sciences de l’univers" of the Paul Sabatier University Toulouse III.

2012 - 2013 Elected member of the "Pôle Sciences de la matière" of the Paul Sabatier University Toulouse III
2009 - 2011 Member of the Nano-Innov committee for societal impact of nanos.
2004 - 2008 Member of "Commission de spécialistes section 28" of the Paul Sabatier University Toulouse III.
1998 - 2003 Member of "Commission de spécialistes section 28-30-34" of the Franche-Comté University.
1999 - 2008 Member of "Commission de spécialistes section 28-29-30" of the Burgondy University.


Book and book chapters

- Images & mirages @ nanosciences – Regards croisés
 Hermann éd., Paris, 263 p., 2011. (Dirs) Anne Sauvageot, Xavier Bouju et Xavier Marie. 
 link
- Images et mirages, vérité et véracité. Implications en nanosciences
 in Images & mirages @ nanosciences – Regards croisés, Hermann, Paris, p. 39-48, 2011.
 X. Bouju.
- vdW
 in Images & mirages @ nanosciences – Regards croisés, Hermann, Paris, p. 189-193, 2011.
 X. Bouju, M.-H. Bouju, C. Ruetsch.


Publications (Reprints available upon request)

- Influence of Halogen Bonds on the Compactness of Supramolecular Assemblies on Si(111)-B
 ACS Nano submitted (2017)
 G. Zhan, M.-A. Dubois, Y. Makoudi, S. Lamare, J. Jeannoutot, F. Palmino, X. Bouju, A. Rochefort, F. Chérioux.

- Bicomponent supramolecular architectures at the vacuum-solid interface
 Chem. Rev. in press (2017)
 X. Bouju, C. Mattioli, G. Franc, A. Pujol, A. Gourdon.

- Noncontact atomic force microscopy and density functional theory studies of the (2×2) reconstruction of the polar AlN(0001) surface
 Phys. Rev. B  94, 165305 (2016) Download
 F. Chaumeton, R. Robles, M. Pruneda, N. Lorente, B. Eydoux, X. Bouju, S. Gauthier, D. Martrou.

- Noncontact atomic force microscopy and density functional theory studies of the (2×2) reconstruction of the polar AlN(0001) surface
 Phys. Rev. B  94, 165305 (2016) Download
 F. Chaumeton, R. Robles, M. Pruneda, N. Lorente, B. Eydoux, X. Bouju, S. Gauthier, D. Martrou.

- Adsorption of single 1,8-octanedithiol molecules on Cu(100)
 Phys. Chem. Chem. Phys.  18, 27521-27528 (2016) Download
 C.J. Villagómez, F. Castanié, C. Momblona, S. Gauthier, T. Zambelli, X. Bouju.

- Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene
 Phys. Rev. B  91, 045427 (2015). Download
 Y.J. Dappe, M. Andersen, R. Balog, L. Hornekær, X. Bouju.

- Observation and manipualtion of hexa-adamatyl-hexabenzocoronene molecules by low temperature scanning tunneling microscopy
 Phys. Chem. Chem. Phys.  16, 22903-22912 (2014). Download
 B. Calmettes, L. Vernisse, O. Guillermet, Y. Benjalal, X. Bouju, C. Coudret, R. Coratger.

Bicomponent hydrogen-bonded nanostructures formed by two complementary molecular Landers on Au(111)
 Chem. Commun. 50, 10619-10621 (2014). Download
 N. Kalashnyk, M. Yu, R. Barattin, Y. Benjalal, M. Hliwa, C. Joachim, E. Lægsgaard, F. Besenbacher, A. Gourdon, X. Bouju, T. R. Linderoth.

- Manipulating the conformation of single organometallic chains on Au(111)
 J. Phys. Chem. C 118, 1719-1728 (2014). Download
 A. Saywell, W. Greń, G. Franc, A. Gourdon, X. Bouju, L. Grill.

- Controlled activation of substrate templating in molecular self-assembly by deprotonation
 J. Phys. Chem. C 117, 23868-23874 (2013). Download
 M. Kittelmann, M. Nimmrich, J. L. Neff, P. Rahe, W. Greń, X. Bouju, A. Gourdon, A. Kühnle.

- Directional molecular sliding at room temperature on a silicon runway
 Nanoscale 5, 7005-7010 (2013). Download
 X. Bouju, F. Chérioux, S. Coget, G. Rapenne, F. Palmino.

- Image Calculations with a Numerical Frequency-Modulation Atomic Force Microscope
 J. Phys. Chem. C 117, 10492-10501 (2013). Download
 F. Castanié, L. Nony, S. Gauthier, X. Bouju.

- From Zero to Two Dimensions : Supramolecular Nanostructures Formed from Perylene- 3,4,9,10-tetracarboxylic Diimide (PTCDI) and Ni on the Au(111) Surface Through the Interplay Between Hydrogen-Bonding and Electrostatic Metal-Organic Interactions
  Nano Res. 5, 903-916 (2012). Download
  M. Yu, W. Xu, N. Kalashnyk, Y. Benjalal, S. Nagarajan, F. Masini, E. Lægsgaard, M. Hliwa, X. Bouju, A. Gourdon, C. Joachim, F. Besenbacher and T. R. Linderoth.

- UHV-STM investigations and numerical calculations of a ruthenium β-diketonato complex with protected ethynyl ligand : [Ru(dbm)2(acac-TIPSA)]
  J. Phys. Chem. C 116, 13715–13721 (2012). Download
  L. Vernisse, S. Munery, N. Ratel-Ramond, Y. Benjalal, O. Guillermet, X. Bouju, R. Coratger, and J. Bonvoisin.

- Graphite, graphene on SiC, and graphene nanoribbons : Calculated images with a numerical FM-AFM
  Beilstein J. Nanotech. 3, 301-311 (2012). Download
  F. Castanié, L. Nony, S. Gauthier, X. Bouju.

- Interactive physically-based structural modeling of hydrocarbon systems
  J. Comput. Phys. 231, 2581–2598 (2012). Download
  M. Bosson, S. Grudinin, X. Bouju, S. Redon.

- Structural and electronic properties of hexa-adamantyl-hexa-phenylbenzene molecules studied by low temperature scanning tunneling microscopy
  Surf. Sci. 606, 444–449 (2012). Download
  R. Coratger, B. Calmettes, Y. Benjalal, X. Bouju, and C. Coudret.
  
- Synthesis and characterization of a series of ruthenium tris(β-diketonato) complexes by an UHV-STM investigation and numerical calculations
  Eur. J. Inorg. Chem. 2011, 2698–2705 (2011). Download
  S. Munery, N. Ratel-Ramond, Y. Benjalal, L. Vernisse, O. Guillermet, X. Bouju, R. Coratger, J. Bonvoisin.
  
- Atomic force microscope measurements and LCAO-S2 + vdW calculations of contact length between a carbon nanotube and a graphene surface
  Phys. Rev. B 83, 045410 (2011). Download
  M. Seydou, Y. J. Dappe, S. Marsaudon, J.-P. Aimé, X. Bouju, A.-M. Bonnot.
  
- Supramolecular architectures on surfaces formed through hydrogen bonding optimized in three dimensions
  ACS Nano 4, 4097–4109 (2010). Download
  M. Yu, N. Kalashnyk, W. Xu, R. Barattin, Y. Benjalal, E. Lægsgaard, I. Stensgaard, M. Hliwa, X. Bouju, A. Gourdon, C. Joachim, F. Besenbacher, T. R. Linderoth.
  
- Self-assembly of hydrogen-bonded chains of molecular landers
  Chem. Commun. 46, 5545–5547 (2010). Download
  M. Yu, N. Kalashnyk, R. Barattin, Y. Benjalal, M. Hliwa, X. Bouju, A. Gourdon, C. Joachim, E. Lægsgaard, F. Besenbacher, and T. R. Linderoth.
  
- Self-assembly of enantiopure domains : The case of indigo on Cu(111)
  J. Chem. Phys. 132, 074705 (2010). Download
  C. J. Villagomez, O. Guillermet, S. Goudeau, F. Ample, Hai Xu, C. Coudret, X. Bouju, T. Zambelli, S. Gauthier.
  
- Properties of penta-tert-butylcorannulene molecules inserted in phthalocyanine networks studied by low-temperature scanning tunnelling microscopy
  J. Phys. Chem. C 113, 21169–21176 (2009). Download
  B. Calmettes, S. Nagarajan, A. Gourdon, Y. Benjalal, X. Bouju, M. Abel, L. Porte, and R. Coratger.
  
- Exploring the transferability of large supramolecular assemblies to the vacuum-solid interface
  Nano Res. 2, 535-542 (2009). Download
  W. Xu, M. D. Dong, H. Gersen, S. Vasquez-Campos, X. Bouju, E. Lægsgaard, I. Stensgaard, M. Crego-Calama, D. N. Reinhoudt, T. R. Linderoth, and F. Besenbacher.
  
- STM manipulation of molecular moulds on metal surfaces
  Nano Res. 2, 254–259 (2009). Download
  M. Yu, W. Xu, Y. Benjalal, R. Barattin, E. Lægsgaard, I. Stensgaard, M. Hliwa, X. Bouju, A. Gourdon, C. Joachim, T. R. Linderoth, and F. Besenbacher.
  
- Self-assembly of fivefold-symmetric molecules on a threefold-symmetric surface
  Angew. Chem. Int. Ed. 48, 1970–1973 (2009). Download
  O. Guillermet, E. Niemi, S. Nagarajan, X. Bouju, D. Martrou, A. Gourdon, and S. Gauthier.
  
- Room-temperature electronic template effect of the SmSi(111)-8×2 interface for self-alignment of organic molecules
  ChemPhysChem 9, 1437–1441 (2008). Download
  Y. Makoudi, E. Duverger, M. Arab, F. Chérioux, F. Ample, G. Rapenne, X. Bouju, and F. Palmino.
  
- Rolling a single molecular wheel at the atomic scale
  Nature Nanotech. 2, 95–98 (2007). Download
  L. Grill, K.-H. Rieder, F. Moresco, G. Rapenne, S. Stojkovic, X. Bouju, and C. Joachim.
  
- Molecular self-assembly of jointed molecules on a metallic substrate : from single molecule to monolayer
  ChemPhysChem 7, 1917–1920 (2006). Download
  T. Zambelli, S. Goudeau, J. Lagoute, A. Gourdon, X. Bouju, and S. Gauthier.
  
- Recording the intramolecular deformation of a 4-legs molecule during its STM manipulation on a Cu(211) surface
  Chem. Phys. Lett. 402, 180–185 (2005). Download
  M. Alemani, L. Gross, F. Moresco, K.-H. Rieder,C. Wang, X. Bouju, A. Gourdon and C. Joachim.
  
- An experimental investigation of resonance curves on metallic surfaces in dynamic force microscopy : the influence of frozen versus mobile charges
  Nanotechnology 15, S24–S29 (2004). Download
  J. Polesel-Maris, A. Piednoir, T. Zambelli, X. Bouju and S. Gauthier.
  
- Experimental investigation of resonance curves in dynamic force microscopy
  Nanotechnology 14, 1036–1042 (2003). Download
  J. Polesel-Maris, A. Piednoir, T. Zambelli, X. Bouju and S. Gauthier.
  
- Atomic diffusions inside a STM junction : simulations by kinetic Monte Carlo coupled to tunneling current calculations
  Surf. Sci. 523, 267–278 (2003). Download
  S. Baud, X. Bouju, C. Ramseyer, and H. Tang.
  
- Atomic radiation rates in photonic crystals
  Phys. Rev. B 64, 201104R (2001). Download
  V. Lousse, J.-P. Vigneron, X. Bouju, and J.-M. Vigoureux.
  
- Fibonacci, Koch, and Penrose structures : spectrum of finite subsystems in three–dimensional space
  phys. stat. sol. (b) 225, 95–114 (2001). Download
  E. de Prunelé and X. Bouju.
  
- Mechanics of a (Xe)N atomic chain under STM manipulation
  Phys. Rev. B 63, 085415 (2001). Download
  X. Bouju, C. Joachim, Ch. Girard, and H. Tang.
  
- Size and shape effects on electronic energy levels : From infinite to nanoscopic systems in three dimensional space
  phys. stat. sol. (b) 217, 819–832 (2000). Download
  X. Bouju and E. de Prunelé.
  
- Single-atom motion during a lateral STM manipulation
  Phys. Rev. B 59, R7845–R7848 (1999). Download
  X. Bouju, C. Joachim, and Ch. Girard.
  
- Images simulation of a corrugated surface in the constant force gradient mode of the scanning force microscope
  J. Phys. D : Appl. Phys. 31, 2388–2394 (1998). Download
  F. Touhari-Kouko, X. Bouju, M. Devel, and G. Cohen-Solal.
  
- Glass and silicon probes : A comparative theoretical study for near–field optical microscopy
  J. Appl. Phys. 84, 52–57 (1998). Download
  A. Castiaux, H.U. Danzebrink, and X. Bouju.
  
- Scanning force microscopy simulations of well-characterized nanostructures on dielectric and semiconducting substrates
  Appl. Surf. Sci. 125, 351–359 (1998). Download
  F. Touhari, X. Bouju, Ch. Girard, M. Devel, and G. Cohen-Solal.
  
- Theoretical study of the resistance of short (Xe)n wires within an STM junction : The (Xe)2 case
  Appl. Phys. A 66, S875–S878 (1998). Download
  L. Pizzagalli, C. Joachim, X. Bouju, and Ch. Girard.
  
- Electric field effect and atomic manipulation process with the probe tip of a scanning tunneling microscope
  Appl. Phys. A 66, S749–S752 (1998). Download
  X. Bouju, M. Devel, and Ch. Girard.
  
- Transmisssion scanning near-field optical microscopy with uncoated silicon tips
  Ultramicroscopy 71, 371–377 (1998). Download
  H.U. Danzebrink, A. Castiaux, Ch. Girard, X. Bouju, and G. Wilkening.
  
- Theoretical study of the atomic-force-microscopy imaging process on the NaCl(001) surface
  J. Chem. Phys. 108, 359–367 (1998). Download
  H. Tang, X. Bouju, C. Joachim, Ch. Girard, and J. Devillers.

- van der Waals atomic trap in a scanning-tunneling-microscope junction : Tip shape, dynamical effects, and tunnel current signatures
  Phys. Rev. B 55, 16498–16506 (1997). Download
  X. Bouju, Ch. Girard, H. Tang, C. Joachim, and L. Pizzagalli.
  
- The resistance of a (Xe)n atomic wire
  Europhys. Lett. 38, 97–102 (1997). Download
  L. Pizzagalli, C. Joachim, X. Bouju, and Ch. Girard.
  
- Scattering of electromagnetic waves by silicon-nitride tips
  J. Vac. Sci. Technol. B 14, 816–819 (1996). Download
  X. Bouju, A. Dereux, J.-P. Vigneron, and Ch. Girard.
  
- Adsorption of C60 molecules
  Phys. Rev. B 53, 1622–1629 (1996). Download
  P.A. Gravil, M. Devel, Ph. Lambin, X. Bouju, Ch. Girard, and A.A. Lucas.
  
- Moving gold atoms with an atomic-force-microscope tip : A study of dimer and trimer for- mation on NaCl(100)
  Phys. Rev. B 50, 7893–7902 (1994). Download
  X. Bouju, C. Joachim, and Ch. Girard.
  
- Theoretical atomic-force-microscopy study of adsorbed fullerene molecules
  Phys. Rev. B 48, 15417–15424 (1993). Download
  Ch. Girard, X. Bouju, O.J.F. Martin, A. Dereux, C. Chavy, H. Tang, and C. Joachim.

- Imaging and moving a Xe atom on a Cu(110) surface with the tip of a scanning tunneling microscope : A theoretical study
  Phys. Rev. B 47, 7454–7461 (1993). Download
  X. Bouju, C. Joachim, Ch. Girard, and P. Sautet.

- van der Waals interactions between an adsorbate and the tip of an STM
  Chem. Phys. 168, 203–210 (1992). Download
  Ch. Girard, X. Bouju, and C. Joachim.
  
- Spectroscopie locale d’une surface par détection de champ proche : étude théorique comparative des métaux nobles
  J. Phys. I France 2, 1431–1444 (1992). Download
  X. Bouju, Ch. Girard et D. Courjon.
  
- Self-consistent study of the electromagnetic coupling between a thin probe tip and a surface : implication for atomic-force and near-field microscopy
  Ultramicroscopy 42-44, 430–436 (1992). Download
  X. Bouju, Ch. Girard, and B. Labani.
  
- Self-consistent study of dynamical and polarization effects in near-field optical microscopy
  J. Opt. Soc. Am. B 9, 298–305 (1992). Download
  Ch. Girard and X. Bouju.
  
- Coupled electromagnetic modes between a corrugated surface and a thin probe tip
  J. Chem. Phys. 95, 2056–2064 (1991). Download
  Ch. Girard and X. Bouju.


 Proceedings (with referees)

- The first molecular wheel : a theoretical investigation
 MRS Proceedings 1286 (2011). Download
 G. Brunetto, F. Sato, X. Bouju, D. S. Galvão.

- Picotehcnologies : des technologies pour l’échelle atomique
 Technique de l’ingénieur NM130, 1-16 (2009). Download
 C. Joachim, A. Gourdon, X. Bouju.

- Computation of electrostatic fields around carbon tubules biased by an STM junction
 in Atomic and Molecular Wires, eds. C. Joachim and S. Roth, Kluwer (Dordrecht), NATO ASI Series E 341 179–192 (1997).
 Ch. Girard, M. Devel, X. Bouju, P. A. Gravil.

- Modelling optical resonators probed by subwavelength sized optical detectors
 in Optics at the nanometer scale : Imaging and storing with photonic near fields, eds. M. Nieto-Vesperinas and N. García, Kluwer (Dordrecht), NATO ASI Series E 319 95–104 (1996).
 A. Castiaux, Ch. Girard, A. Dereux, X. Bouju, and J.-P. Vigneron.

- Optical near-field detection and local spectroscopy of a surface : A self-consistent theoretical study
 in Near-field optics, eds. D. W. Pohl and D. Courjon, Kluwer (Dordrecht), NATO ASI Series E 242 199–208 (1993).
 Ch. Girard, X. Bouju, A. Dereux.

- Moving an adsorbate with the tip apex of a STM : A comparative study of the Xe-Cu(110) and Au-NaCl(100) systems
 in Computations for the nano-scale, eds. P. E. Blöchl, C. Joachim, A. J. Fisher, Kluwer (Dordrecht), NATO ASI Series E 240 209–221 (1993).
 Ch. Girard, X. Bouju, C. Joachim.

- Fabrication and electric conductance of a finite atomic gold wire : A theoretical study
 in Atomic and nanometer-scale modifications of materials : Fundamental and applications, eds. Ph. Avouris, Kluwer (Dordrecht), NATO ASI Series E 239 247–261 (1993).
 C. Joachim, X. Bouju, Ch. Girard.

- The Eigler Xe switch : Its atomic structures from Xe energy minimization and STM image calculations
 in Nanosources and manipulation of atoms under high fields and temperatures : Applica- tion, eds. Vu Thien Binh, N. Gacía, and K. Dransfeld, Kluwer (Dordrecht), NATO ASI Series E 235 239–252 (1993).
 C. Joachim, X. Bouju, Ch. Girard.


Teaching

2005 - now Mesoscopic physics at École nationale supérieure de l’aéronautique et de l’espace (Isaé-Supaéro, Toulouse, France).
2003 - now Various courses in Nanosciences and Nanotechnology in French and Foreign Univeristies.
1991 - 2003 Physics at University of Franche-Comté (Besançon, France), including Solid State Physics, Quantum Mechanics, Electricity.


Research network

2007 - now C’Nano GSO (Grand Sud-Ouest) in charge of the Midi-Pyrénées region.

2014 - now Chair of C’Nano GSO.

2014 - 2017 IP, Pams and ANR project Nanofluidyn.
2012 - 2014 ANR Blanc International II, ICMADS.
2010 - 2013 STREP, Artist and ANR/PNano, Automol.
2011 - 2012 SUDOE INTERREG IVB Train2 (chair for the French part).
2009 - 2012 ANR/PNano, MolSiC (coordinator) and ANR/Cosinus, Samson.
2004 - 2008 NOE, Frontiers (contact person, workpackage manager).
2005 - 2008 IP, PicoInside (workpackage manager).
2004 - 2007 STREP, NanoMan (contact person).
2001 - 2007 Bilateral projects : PAI Alliance (UK), Volubilis (Morocco), Tournesol (Belgium). 


Activities for societies

2015 - now President of the "section Midi-Pyrénées" of the SFP.

2010 - now Member of the GT2 "Communications in Physics" of the International union of pure and applied physics (IUPAP).
2004 - now Member of the commission "Publications" of the SFP.
2003 - now Member of the "Bureau de la section Midi-Pyrénées" of the SFP.

2011 - 2014 Member of "Conseil d’administration" of the French Physical Society (SFP).
2003 - 2008 Secretary of the "Section Midi-Pyrénées" of the de la SFP.
2001 - 2009 Member of the "Bureau de la Division physique atomique, moléculaire et optique" (PAMO) of the SFP.
1996 - 1997 Member of the "Bureau du Cercle français de microscopies à champ proche".
1992 - now Member of the SFP.