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Publications from Facility Staff

2012 | 2011-2010 | 2009-2008 | 2007| 2006-2005

Energy-minimized geometry of carbon nanohoop (a) Absorption (solid line) and fluorescence (dashed line) spectra of carbon nanohoops 9, 10, and 11. (b) Energy-minimized geometry of carbon nanohoop 9 by DFT calulations.
  1. D. Prendergast and S. G. Louie, "Bloch-State-Based Interpolation: An Efficient Generalization of the Shirley Approach to Interpolating Electronic Structure," Physical Review B, 80, 235126 (2009). [pdf]
  2. C. Hin, B. Wirth and J. B. Neaton, "Formation of Y2o3 Nanoclusters in Nanostructured Ferritic Alloys During Isothermal and Anisothermal Heat Treatment: A Kinetic Monte Carlo Study," Phys. Rev. B, 80, 134118 (2009). [pdf]
  3. S. Y. Quek, H. J. Choi, S. G. Louie and J. B. Neaton, "Length Dependence of Conductance in Aromatic Single-Molecule Junctions," Nano Letters, 9, 3949 (2009). [pdf]
  4. Z. Wu, J. B. Neaton and J. C. Grossman, “Charge Separation via Strain in Silicon Nanowires,” Nano Lett. 9, 6, 2418 (2009). [pdf]
  5. J. Deslippe, M. Dipoppa, D. Prendergast, M. V. O. Moutinho, R. B. Capaz, and S. G. Louie, "Electron-Hole Interaction in Carbon Nanotubes: Novel Screening and Exciton Excitation Spectra," Nano Lett. 9, 1330 (2009) [pdf]
  6. S. Whitelam, T. Bretschneider and N. J. Burroughs, "Transformation from spots to waves in a model of actin pattern formation," Physical Review Letters 102 198103 (2009). [pdf]
  7. Z. Wu, J. B. Neaton and J. C. Grossman, "Quantum Confinement and Electronic Properties of Tapered Silicon Nanowires", Physical Review Letters 100, 246804 (2008).    [pdf]
  8. K. H. Khoo, J. B. Neaton, H. J. Choi and S. G. Louie, "Contact Dependence of the Conductance of H2 Molecular Junctions from First Principles", Physical Review B 77, 115326 (2008).    [pdf]
  9. Ratera, Y. Qi, J. Y. Park, P. D. Ashby, S. Y. Quek, J. B. Neaton and M. Salmeron, "Mechanical and Charge Transport Properties of Alkanethiol Self-Assembled Monolayers on Au (111) Surface: The Role of Molecular Tilt", Langmuir 24 (5), 2219 (2008).  [pdf]
  10. Z. Wu and J. C. Grossman, "Prediction of Ultra-High Aspect Ratio Nanowires from Self-Assembly", Nano Letters, 8 (9), 2697 (2008). [pdf]
  11. K. H. Khoo, J. B. Neaton, Y. W. Son, M. L. Cohen, and S. G. Louie, “Negative Differential Resistance in Carbon Atomic Wire-Carbon Nanotube Junctions”, Nano Letters, 8 (9) 2900 (2008). [pdf]
  12. J. Sau, J. B. Neaton, H. J. Choi, S. G. Louie, and M. L. Cohen, “Electronic Energy Levels of Weakly Coupled Nanostructures: C60-Metal Interfaces”, Phys. Rev. Lett. 101, 026804 (2008). [pdf]
  13. R. Jasti, J. Bhattacharjee, J. Neaton, C. R. Bertozzi, “Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]-Cycloparaphenylene: Carbon Nanohoop Structures” J. Am. Chem. Soc., 130, 52, 17646 (2008) [pdf]