Clusters and nano-assemblies : physical and biological systems : Richmond, Virginia, U.S.A., 10-13 November, 2003

Annotation. While the field of clusters and nano-structures in the physical sciences has been actively pursued only over the past two decades, nature has known the benefits of the nanoscale for a very long time. The focus of the International Symposium on Clusters and Nano-Assemblies: Physical and Biological Systems was to explore ways in which an understanding of the unique properties of nano-scale biological systems such as proteins, enzyme reactions, RNA, and DNA can help us design novel materials composed of inorganic nano-scale systems, and how techniques developed in the physical sciences can lead to a fundamental understanding of biological systems. Bringing together the expert contributions from the conference, this book deals with the fundamental science and technology of atomic clusters, nano-structures and their assemblies in physical and biological systems. It explores in fascinating detail the manner in which finite size, low dimensionality, and reduced symmetry affect the properties of nano-assemblies Atomic Clusters......Page 8 Preface......Page 6 1. Introduction......Page 14 3. Results and Discussion......Page 15 3.1. Catalytic carbon monoxide oxidation by Au2......Page 16 3.2. Agn reactions with molecular oxygen and carbon monoxide......Page 19 References......Page 21 2. Experiments and Results......Page 24 References......Page 29 1. Introduction......Page 32 2. Method......Page 33 3. Results......Page 34 References......Page 36 1. Introduction......Page 38 3.1. As@Ni12@As20......Page 40 3.2. As cages......Page 44 4. Summary......Page 48 References......Page 49 1. Introduction......Page 52 3.1. Atomic Structure......Page 53 3.2. Stability and the Magic Number......Page 54 3.3. Electronic Structure: HOMO-L UMO gap......Page 56 References......Page 57 1. Introduction......Page 60 3. Results for Small Linear Cluster......Page 61 References......Page 66 2. Time-Reversal Invariance in Ultrafast Dynamics......Page 68 3. Charge Dynamics in C60......Page 69 References......Page 71 1. Introduction......Page 72 3. Results and Discussion......Page 73 4. Conclusion......Page 76 References......Page 77 1. Introduction......Page 78 2. Construction of Master Equation......Page 79 3.1. Constructing Full and Sample PES......Page 80 3.2. Results......Page 81 4.1. Constructing Full and Sample PES......Page 83 4.2. Results......Page 84 References......Page 85 The Z=82 Shell Effect Near the Proton Drip-Line C. Samanta and S. Adhikari......Page 86 Reference......Page 89 Quantum Dots/Rings......Page 9 2. Delayed Ionization......Page 94 3. Novel Cluster Materials......Page 96 4. Solvation......Page 97 References......Page 100 1. Introduction......Page 102 3.1. Photodissociation Spectrum......Page 103 3.2. Geometrical Structure and Electronic States of Mg+-CH3I......Page 104 3.3. Dissociation Processes......Page 106 Acknowledgments......Page 107 References......Page 108 Abstract......Page 110 1. Catalysis in the 21st Century: 100% Selectivity for All Catalyst-Based Processes......Page 111 2. Molecular Ingredients of Catalytic Activity and Selectivity......Page 112 3. Fabrication of High Technology Catalysts: 2-Dimensional and 3- Dimensional Catalysts Toward 100% Selectivity......Page 114 3.1 Fabrication and Characterization of 2-D Catalysts......Page 115 3.2 Fabrication and Characterization of 3-D Catalysts......Page 116 Acknowledgments......Page 117 References......Page 118 1. Introduction......Page 140 2. Experimental Methods......Page 142 3.1. The Reactivity of Gas-Phase Gold Clusters for the Oxidation of CO......Page 143 4. Summary......Page 145 References......Page 146 2. Computational Methodology and Description of the Physical Model......Page 148 B. Comparisons of metal adsorption energetics at 0.5 ML and IML coverage......Page 149 4. Conclusions......Page 150 References......Page 155 1. Introduction......Page 156 3. Comparative Study......Page 158 4. Electronic Structure of Quantum Dot Lattices......Page 161 5. Summary and Conclusions......Page 162 References......Page 163 1. Introduction......Page 164 2. Experiment......Page 166 References......Page 170 1. Introduction......Page 172 2. Method of Calculation......Page 174 3. Results and Discussions......Page 176 References......Page 179 1. Introduction......Page 182 2. Energy Spectra: Rotational and Vibrational States......Page 184 3. Periodicity of the Persistent Current......Page 186 References......Page 187 Magnetic Properties......Page 10 2. Experimental Procedure......Page 188 3. Results......Page 189 3.2. GUSi(113)......Page 190 3.3. Cd/Si(5 5 12)......Page 191 References......Page 193 1. Introduction......Page 194 2.1. Young’s Modulus......Page 195 3.1. Young’s Modulus......Page 196 3.2. Pull-through......Page 197 4. Conclusions......Page 198 References......Page 199 1. Introduction......Page 200 3. Results and Discussion......Page 201 References......Page 205 1. Introduction......Page 206 3.1 Single-walled carbon nanotube fibrils......Page 207 3.2 Multi-walled carbon nanotube fibrils......Page 208 3.3 Application of carbon nunotube fibrils......Page 209 4. Conclusions......Page 210 References......Page 211 1. Introduction......Page 212 2. Common Features of Carbon- and Non-Carbon-Based Non-Metallic Ferromagnets......Page 213 3. Magnetic C60 Polymers......Page 214 References......Page 216 1. Introduction......Page 218 2.2. X-Ray Magnetic Circular Dichroism (XMCD)......Page 219 3.1. Exposed Clusters on Surfaces in UHV......Page 221 3.3. Isolated Fe and Co Clusters in Ag Matrices......Page 223 4.2. Orbital and Spin Moments in Interacting Cluster Films......Page 228 4.3. Macroscopic Magnetic Properties of Interacting Cluster Assemblies......Page 229 References......Page 234 1. Introduction......Page 236 2.1 Magnetizations......Page 238 3.1. Monte Carlo Simulations (local spin rotations)......Page 239 3.2. Monte Carlo Simulations (with local & global spin rotations)......Page 240 References......Page 242 1. Introduction......Page 244 2. Model......Page 245 3.1. Non-interacting Clusters......Page 246 3.2. Interacting Clusters......Page 247 4. Summary......Page 249 References......Page 250 1. Introduction......Page 252 2. Theory......Page 253 3. Results and discussion......Page 256 4. Conclusion......Page 258 References......Page 259 Clusters on Support......Page 11 1. Introduction......Page 260 3. EMR in Macroscopic Structures......Page 261 4. EMR in Nanoscopic Structures......Page 265 5. EPC in Macroscopic Structures......Page 266 References......Page 268 1. Introduction......Page 270 2. Single Beam Results......Page 272 3. Standing-Wave Optical Trap......Page 274 References......Page 276 1. Introduction......Page 278 2. The Model......Page 279 3. Results......Page 280 References......Page 283 1. Introduction......Page 286 2. The Model......Page 287 3. The C60 Photoemission Spectra......Page 288 4. The C59N Photoemission Spectra......Page 290 References......Page 292 1. Introduction......Page 294 2. Experimental Details......Page 296 3. Conclusion......Page 298 Acknowledgements......Page 299 Reference......Page 306 1. Introduction......Page 308 3. Results......Page 309 5. Conclusion......Page 312 References......Page 313 Observing and Steering the Formation of Coordination Compounds on Surfaces at the Single-Molecule Level N. Lin, A. Dmitriev, H. Spillmann, J. Weckesser, M. Abel, P. Messina, K. Kern and J. V. Barth......Page 314 1. Introduction......Page 320 2. Graphite as a Surface......Page 321 4. Interaction with the Lithium Atom......Page 323 5. Results and Discussions......Page 324 5.1. Lithium Atom Approaching the On-Top Site......Page 325 5.2. Lithium Atom Approaching the Bridge Site......Page 327 5.3. Lithium Atom Approaching the Open Site......Page 329 5.4. Comparison of the Results from Different Sites......Page 330 References......Page 331 1. Introduction......Page 334 2. Choice of the Model......Page 335 3. Calculations and Results......Page 336 3.1. Cu2H2 and Ni2H2 Systems......Page 337 3.3. Ni4H2 Systems for Ni(100) and Ni(111) Surfaces......Page 338 4. Cu4H2 Revisited......Page 339 References......Page 341 1. Introduction......Page 342 2. Computational Model......Page 343 3. Results and Discussion......Page 345 4. Conclusions......Page 350 References......Page 351 1. Introduction......Page 354 3. Results and Discussion......Page 356 4. Summary......Page 360 References......Page 361 Biology at Molecular Level......Page 12 1. Introduction......Page 362 3. Results......Page 363 4. Conclusion......Page 365 References......Page 366 1. Introduction......Page 368 2. Background......Page 369 3. Fabrication......Page 370 References......Page 373 1. Experimental......Page 376 2. Results and Discussion......Page 377 References......Page 381 1. Introduction......Page 384 2. Metal Reduction in Solutions......Page 385 3. Silver Reduction in Polymer Films......Page 388 Acknowledgments......Page 389 References......Page 390 1. Introduction......Page 392 2. Theory......Page 393 Melting point......Page 394 Recoilless fraction......Page 395 References.......Page 397 1. Introduction......Page 400 3.1. Photoionization mass spectra......Page 401 3.2. Intensity anomaly at M(MP)3......Page 402 3.3. Structural isomers of M(MP)3......Page 404 References......Page 405 1. Introduction......Page 406 2.1. Experimental Setup......Page 407 2.2. Fraying Dynamics......Page 408 2.3. Electron Autodetachment......Page 410 3.1. Laser Optics......Page 414 3.2. Two Channel Fluorescence Detection......Page 415 3.3. FRET Fluorescence Measurements......Page 416 4. Experimental Plans......Page 417 References......Page 418 2. Optical Wapping in Aqueous Solutions......Page 420 3. The Nano-Scale Water Bansistor......Page 424 4. Problems and Results in 'Ikansport Modeling of Bioparticles in Solutions......Page 425 References......Page 427 1. Introduction......Page 428 2. Procedure......Page 430 3. Results and Conclusions......Page 432 Acknowledgements......Page 434 References......Page 435 Bio technology......Page 13 1. Introduction......Page 436 3. Results and Discussion......Page 437 4. Conclusion......Page 440 References......Page 441 Organization......Page 442 Participants......Page 444 Author Index......Page 460 Subject Index......Page 462 Catalysis with small free noble metal clusters / T.M. Bernhardt [und weitere] -- Activated diatomic species as important reaction intermediates of nanocatalysis / Y.D. Kim and G. Ganteför -- Relativistic density functional calculations for open-shell systems / S. Varga [und weitere] -- Electronic structure and stability of the As@Ni[symbol]@As[symbol] and As cages / T. Baruah, R.R. Zope and M.R. Pederson -- Structural and electronic properties of CdTe clusters / J. Rufinus -- Spin excitations induced by projectile in ferromagnetic cluster / R.-J. Tarento [und weitere] -- Time-dependent charge dynamics in C[symbol] and a proposal for nanostructure-based computing technology / G.P. Zhang, T.F. George and D.A. Jelski -- Molecular dynamics study of iron cluster coalescence at sub-melting point temperatures / F. Ding, K. Bolton and A. Rosén -- Using ideal PES model to study kinetics of complex system / J. Lu and R.S. Berry -- The Z=82 shell effect near the proton drip-line / C. Samanta and S. Adhikari -- Fundamental cluster studies of materials and atmospheric chemistry / D.P. Hydutsky [und weitere] -- Excited state charge transfer and dissociation of Mg[symbol]-Ch[symbol]I complex / F. Misaizu [und weitere] -- Fabrication of two-dimensional and three-dimensional platinum nanoclusters to serve as high technology catalysts-catalysts capable of 100% reaction selectivity / G.A. Somorjai, R.M. Rioux and J. Grunes -- Elucidating mechanistic details of catalytic reactions utilizing gas phase clusters / M.L. Kimble [und weitere] -- Computational study of metal adsorption on TiO[symbol] (110) surface / R.G.S. Pala, T.N. Truong and F. Liu -- Quantum dots and quantum dot lattice : correlations in small quantal systems / M. Borgh [und weitere] -- Single Josephson junctions as qubits / J.R. Anderson [und weitere] -- On the absence of kondo resonance for co dimers on a Cu (111) surface / J.-L. Helfer, F.A. Reuse and S.N. Khanna -- Energy spectrum, persistent current and electron localization in quantum rings / M. Manninen [und weitere] -- Gadolinium nanowire growth on high-index silicon surfaces / E. Morris [und weitere] -- The effect of functionalization on double-walled nanotube materials / S.J.V. Frankland, G.M. Odegard and T.S. Gates -- Spectroscopy-based characterization of single wall carbon nanotubes / M. Namkung [und weitere] -- Assembly and application of carbon nanotube fibrils with controlled and variable lengths by dielectrophoresis / J. Tang [und weitere] -- The magnetism of the polymerized C[symbol] materials / A.N. Andriotis and M. Menon -- Building high performance magnetic materials out of gas phase nanoclusters / C. Binns [und weitere] -- Magnetic field effects on thermal fluctuations of cluster magnetic moments / K. Desai. S.D. Mahanti and S.N. Khanna -- Magnetic and thermal properties of interacting (Mn[symbol]N) clusters / H. Khang [und weitere] -- Spin fluctuations and "spin noise" / S. Pramanik and S. Bandyopadhyay -- Geometry driven interfacial effects in nanoscopic and macroscopic semiconductor metal hybrid structures : extraordinary magnetoresistance and extraordinary piezoconductance / S.A. Solin -- Light torqued nanomotors in a standing wave / K. Bonin [und weitere] -- Comparison of the mie scattering of Co, Ni, and Fe magnetic spheres / R-J. Tarento, P. Joyes and K.H. Bennemann -- C 1s core photoemission of C[symbol] and C[symbol]N / R.-J. Tarento [und weitere] -- A tunable optical parametric oscillator laser system for single particle mass spectrometry / R.T. Yadav [und weitere] -- Reversible optical recording on a CdSe/ZnS nanocrystal thin film / T. Uematsu [und weitere] -- Observing and steering the formation of coordination compounds on surfaces at the single-molecule level / N. Lin [und weitere] -- The interaction of a lithium atom with a graphite surface / B.E.F. Constance and B.K. Rao -- Cluster study of the dissociation of H[symbol] on Cu and Ni (100) and (111) surfaces / B.E.F. Constance, B.K. Rao and P. Jena -- Computational investigation of the effect of cluster impact energy on the microstructure of films grown by cluster deposition / A.M. Dongare, D.D. Hass and L.V. Zhigilei -- Metal-benzene complexes with inserted metal atoms and the possibility of generating magnetic Ni-benzene clusters / A.K. Kandalam [und weitere] -- Influence of structural relaxation on the optical and electronic properties of Ge and Si nanocrystals / H.-C. Weissker. J. Furthmüller and F. Bechstedt -- Self-assembled nanowires using porous alumina templates / C.-G. Stefanita [und weitere] -- Ceria-zirconia-alumina mixed oxides prepared by the organic-free sol-gel technique / E. Frolova [und weitere] -- Light induced metal nanoparticles formation (M=Ag, Au, Cu, Pd, Pt) in aqueous solutions and polymer films composed of SPEEK-PVA / A.S. Korchev [und weitere] -- Lamb-Mossbauer factors in nanocrystals / K.N. Shrivastava and P. Boolchand -- Intracluster anionic polymerization induced by electron transfer from alkali metal atom to unsaturated hydrocarbon molecules / H. Tsunoyama [und weitere] -- Dynamics of gas phase oligonucleotides / A.S. Danell, R.M. Danell and J.H. Parks -- Theoretical and experimental aspects on trapping and detection of single and few molecules by using nanoprobes / M. Willander [und weitere] -- Computational models of the seven-helix trans-membrane human melatonin receptor MT1, one of nature's common nano-assemblies / C.M. Castevens and D.D. Shillady -- Ultrahigh magnetic moments of core-shell nanoclusters for biomedical applications / Y. Qiang [und weitere]