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TWENTY-SECOND ANNUAL SYMPOSIUM of the LABORATORY for SURFACE MODIFICATION TWENTY-SECOND ANNUAL SYMPOSIUM of the LABORATORY FOR SURFACE MODIFICATION A Symposium Honoring Professors David C. Langreth and Theodore E. Madey February 15, 2008 8:30 a.m. to 5:15 p.m. Rutgers, The State University of New Jersey Fiber Optics Auditorium Busch Campus Piscataway, New Jersey Laboratory for THE STATE UNIVERSITY OF NEW JERSEY NanoPhysics Surface Modification Laboratory TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION 8:30 Registration, coffee 8:50 Introductory Remarks Professor Robert A. Bartynski, Director, Laboratory for Surface Modification SESSION I: Metal surfaces Chairperson: Professor Robert A. Bartynski Director, Laboratory for Surface Modification Department of Physics and Astronomy 9:00 Adsorbate induced morphological instability of Re surfaces Hao Wang1, Wenhua Chen1, Ally S. Y. Chan1, Meral Reyhan1, Payam Kaghazchi2, Timo Jacob2 and Theodore E. Madey1 1Dept. of Physics & Astronomy, 2Fritz-Haber-Institut der Max-Planck- Gesellschaft, D-14195 Berlin, Germany 9:15 Thermally induced decomposition chemistry of NCO species adsorbed on Cu(001) E.Z. Ciftlikli1, A.V.Ermakov1, J. Lallo1, S. Rangan1, E.Y.-M. Lee1, B.J. Hinch1, L.Tskipuri2, R. Bartynski2 1Department of Chemistry and Chemical Biology, 2Department of Physics and Astronomy 9:30 HIGHLIGHT PRESENTATION Climbing up (and down) the ladder of density functional approximations John P. Perdew Department of Physics and Quantum Theory Group, Tulane University, New Orleans, LA 70118 10:15 – 10:35 Coffee Break and Poster Session 4 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION SESSION II: Oxide surfaces Chairperson: Professor Dunbar P. Birnie III Chair, Department of Materials Science and Engineering 10:35 Professor Ziva Galili, Acting Executive Dean, School of Arts and Sciences 10:40 Professor Leonard C. Feldman, Director, Institute for Advanced Materials, Devices and Nanotechnology (IAMDN) 10:45 HIGHLIGHT PRESENTATION The surfaces of titanium dioxide: following the trail blazed by Prof. T.E. Madey Ulrike Diebold Department of Physics, Tulane University, New Orleans LA 70118 11:30 Ab initio calculations of BaTiO3, PbTiO3 and SrTiO3 (001) and (011) surface structures R. I. Eglitis, David Vanderbilt Department of Physics and Astronomy 11:45 Enhanced hydronium formation during the dissociative chemisorption of water on silica surfaces T. Mahadevan, S. H. Garofalini Department of Materials Science and Engineering 12:00 Electronic level alignment of N3 dye and isonictonic acid on TiO2 and ZnO substrates Eric Bersch, Sylvie Rangan, Jean-Patrick Theisen, Robert Bartynski Department of Physics and Astronomy 12:15 – 1:45 Lunch and Poster Session 5 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION POSTER PAPERS: 1) Synthesis and surface modification of upconverting nanoparticles for biological imaging applications Tamar Andelman1,2,3, Gabrielle Busto3, Prahbas Moghe1,2, Richard Riman1,2 1New Jersey Center for Biomaterials, 2 Dept. of Materials Science & Engineering, 3 Dept. of Biomedical Engineering 2) Characterizing transport phenomena across nanocapillary array membranes Eyup Akdemir, Shaurya Prakash Department of Mechanical and Aerospace Engineering 3) Nanomechanics of self-Assembled monolayers of alkanethiolates using nanoindentation techniques Milca I. Aponte, Adrian B. Mann Departments of Materials Science & Engineering and Biomedical Engineering 4) Nanocomposites: Opening the door to new concepts in energy storage F. Badway, A. N. Mansour, N. Pereira, J.F. Al-Sharab, F. Cosandey, Plitz, G.G. Amatucci Departments of Materials Science & Engineering and Biomedical Engineering 5) Strained films of PbTiO3 and PbZrxTi1-xO3 Scott P. Beckman, Karin M. Rabe, David Vanderbilt Department of Physics and Astronomy 6) Electronic level alignment of N3 dye and isonictonic acid on TiO2 and ZnO substrates E. Bersch, S. Rangan, J. P. Theisen, R. A. Bartynski Department of Physics and Astronomy 7) XeF2 etching of metallic films O. Celik1, L. Wielunski2 and E. Garfunkel1,2 1Department of Chemistry and Chemical Biology, 2Department of Physics and Astronomy 8) Unusually high reactivity of planar and faceted Ir(210) for direct NO decomposition in the presence of oxygen Wenhua Chen, Theodore E. Madey Department of Physics and Astronomy 6 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION 9) Thermally induced decomposition chemistry of NCO species adsorbed on Cu(001) E.Z. Ciftlikli1, A.V.Ermakov1, J. Lallo1, S. Rangan1, E.Y.-M. Lee1, B.J. Hinch1, L.Tskipuri2, R. Bartynski2 1Department of Chemistry and Chemical Biology, 2Department of Physics and Astronomy 10) Structural stability and lattice dynamics of SiO2 cristobalite Sinisa Coh, David Vanderbilt Department of Physics and Astronomy 11) First principles simulations of hydrogen storage in metal-organic framework materials Valentino R. Cooper, Jing Li, Yves Chabal, David C. Langreth Department of Physics and Astronomy 12) Dye sensitized solar cells using ZnO nanostructure-based photoelectrodes Ziqing Duan1, Hanhong Chen1, Aurelien Du Pasquier2, Yicheng Lu1 1Department of Electrical and Computer Engineering, 2Department of Materials Science and Engineering 13) Reduced graphene oxide for thin film electronics Goki Eda, Giovanni Fanchini, Manish Chhowalla Materials Science and Engineering 14) Adsorbate induced faceting of Rh (210) surface Govind, W. Chen, H. Wang, T. E. Madey Department of Physics and Astronomy 15) Effect of parametric variations on synthesis of exotic boron carbide nanowires Varun Gupta, Giovanni Fanchini, Steve Miller, Jafar Al-Sharab, Manish Chhowalla Department of Materials Science and Engineering 16) Interface engineering of gate stacks for high-mobility channel mosfet devices Chien-lan Hsueh1, Qi Jiang2, Tian Feng1, Hang Dong Lee1, Lei Yu3, Torgny Gustafsson 1,3, and Eric Garfunkel 1,2,3 1Department of Physics and Astronomy, 2Department of Chemistry, 3IAMDN 7 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION 17) Nanoindentation and electron microscopy characterization of new Y2O3- MgO nanocomposite material Beril Kavukcuoglu1, Jafar F. Al-Sharab1, Rajendra Sadangi1, Vijay Shukla1, Adrian Mann1,2, Manish Chhowalla1, Bernard Kear1 1Materials Science and Engineering Department, 2Engineering and Biomedical Engineering 18) Microporous metal formates for hydrogen storage and hydrocarbon separations Kunhao Li, David H. Olson. JeongYong Lee, Wenhua Bi, Ke Wu, Jing Li Department of Chemistry and Chemical Biology 19) Germanium nanowires: Growth, characterization, and solar cell applications Daniel D. T. Mastrogiovanni, Lauren A. Klein, Aurelien Du Pasquier, Eric Garfunkel Department of Chemistry and Chemical Biology 20) ZnO TFT devices on glass substrates Chieh-Jen Ku, Jun Zhu, Gaurav Saraf, Ziqing Duan, Yicheng Lu Department of Electrical and Computer Engineering 21) Synthesis and manipulation of low-dimensional transition metal oxides towards realization of novel electronic properties Tapas K. Mandal1, Viktor V. Poltavets1, Mark Croft2 and Martha Greenblatt1 1Department of Chemistry and Chemical Biology, 2Department of Physics and Astronomy 22) Hydrothermal synthesis of titania using different substrates and seed conditions Sukanya Murali, Judith D. Sorge, Sarika Phadke, Ariel Jackson, Jerome B. Stanley, Dunbar P. Birnie III Department of Materials Science and Engineering 23) Molecular dynamics simulations of hysteresis loops for BaTiO3 ferroelectric thin-film capacitors using the feram code Takeshi Nishimatsu1,2, Umesh Waghmare3, Yoshiyuki Kawazoe2, and David Vanderbilt1 1 Department of Physics and Astronomy, 2Institute for Materials Research (IMR), Tohoku University, Japan, 3Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), India 8 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION 24) Novel ZnO nanostructure-based acoustic wave sensors Ivanoff Reyes1, Zheng Zhang1, Olena Taratula2, Elena Galoppini2, Ying Chen1, Jian Zhong1, Ziqing Duan1, and Yicheng Lu1 1Department of Electrical and Computer Engineering, 2Department of Chemistry and Chemical Biology 25) Far-from-equilibrium processing of nanocomposite ceramics R.K Sadangi, V. Shukla, B.H. Kear Department of Materials Science and Engineering 26) Modifying the adsorption of molecules at metal surfaces by quantum confinement of electrons L. Tskipuri, R.A. Bartynski Department of Physics and Astronomy 27) Near the ultimate resolution of nanometer-scale focused electron beam induced deposition W.F. van Dorp1, C.W. Hagen1, P. Kruit1, P.A. Crozier2 1Delft University of Technology, Faculty of Applied Sciences Lorentzweg 1, 2628 CJ Delft, Netherlands, 2Center for Solid State Science, Arizona State University Tempe, Arizona, 85287 28) Radiation-induced defect formation and reactivity of model TiO2 EUV capping layers with MMA: a comparison with Ru B. V. Yakshinskiy, M. N. Hedhili, S. Zalkind, M. Chandhok, Theodore E. Madey Department of Physics and Astronomy 29) Design and fabrication of Josephson junctions for 100+ GHz superconductive digital ICs Lei Yu1,2, R. Gandikota3, R. Singh3, Yi Shen3, J.M. Rowell3, N. Newman3, A. Kaul 4, X. Meng 4, X. Zeng 4, Theodore Van Duzer 4 1Department of Physics and Astronomy, 2IAMDN, 3Arizona State University, 4University of California, Berkeley 9 TWENTY-SECOND ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION SESSION III: Applications of surfaces Chairperson: Professor Yicheng Lu Chair, Department of Electrical & Computer Engineering 1:45 HIGHLIGHT PRESENTATION Twenty years of entanglement with hydrogen as an adsorbate:
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