Computations for the Nano-Scale

ISBN-13: 9789401048644 / Angielski / Miękka / 2012 / 291 str.

P. E. Blochl;C. Joachim;A. J. Fisher

Opis

Nano-science looks at nano-interfaces and nano-junctions, atomic and molecular manipulation of adsorbates, properties of self assembled films and quantum transport in nano-structures. Understanding of these phenomena at the nano-scale is of great importance for both science and technology. Computations for the Nano-Scale is the first book to present the state of the art of the theory of nano-science and some related experiments. It assembles contributions from leading experts who met for a NATO Workshop in Aspet, France, October 12--16, 1992.

Spis treści

Preface; P.E. Blöchl, A.J. Fisher, C. Joachim. I: Surface physics and self-assembled monolayers. 1. Mesoscopic ordering from elastic and electrostatic interactions at surfaces; D. Vanderbilt. 2. Chemical potential dependence of surface energetics; J.E. Northrup. 3. Surface resistivity and atomic scale friction; B.N.J. Persson. 4. Local probe investigation of self-assembled monolayers; W. Mizutani, D. Anselmetti, B. Michel. 5. Monte Carlo studies of the microscopic properties of organic thin films; J.I. Siepmann, I.R. McDonald. 6. First-principles studies of semiconductor surfaces: reconstruction and dissociative chemisorption; I. Stich, M.C. Payne, A. DeVita, M.J. Gillan, L.J. Clarke. II: Aggregates and processes at interfaces. 7. Simulations of materials: clusters and interfacial junctions; U. Landman, R.N. Barnett, H.-P. Cheng, C.L. Cleveland, W.D. Luedtke. 8. Stability, structure and melting of copper clusters; K.W. Jacobsen, O.H. Nielsen, O.B. Christensen. 9. Structure and dynamics of confined fluids; P.A. Thompson, M.O. Robbins, G.S. Grest. 10. Mechanical and electrical properties of metallic contacts; A.P. Sutton, T.N. Todorov. III: Chemistry and molecular electron transfer. 11. Molecular and supramolecular self-assembly processes; R.A. Bissell, J.F. Stoddart. 12. First-principles calculations of organometallic compounds; P. Margl, K. Schwarz, P.E. Blöchl. 13. Electron transport through organic molecules with applications to molecular devices; A. Broo. 14. Experimental long-range electron transfer andmolecular switch; J.-P. Launay. IV: Scanning probes: STM and AFM. 15. Adsorption and STM imaging of organic molecules from first principles; A.J. Fisher, P.E. Blöchl. 16. A continuum model for force microscopy force curve data; N.A. Burnham. 17. Moving an adsorbate with the tip apex of a scanning probe microscope: a comparative study of the Xe-Cu(110) and Au-NaCl(100) systems; C. Girard, X. Bouju, C. Joachim. 18. Dissociation of individual molecules with a STM; G. Dujardin, R.E. Walkup, P. Avouris. V: Mesoscopic electron transport. 19. Computation of quantum-transport properties by random-matrix theory; C.W.J. Beenakker. 20. Effect of the electromagnetic environment on single charge tunneling; H. Grabert, G.-L. Ingold. 21. Single-electron tunneling through an ultra-small metal particle; C. Schönenberger. 22. Electron transport in open quantum systems; W.R. Frensley, C. Fernando, J.R. Hellums, S. Venkata-Narasimhan. Index.