Session Index

Session A26: Focus Session: Computational Nanoscience I: Inorganic Nanostructures and Interfaces

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Abstracts
Sponsoring Units: DMP DCOMP
Chair: Peihong Zhang, SUNY Buffalo
Room: 328


Monday, March 16, 2009
8:00AM - 8:36AM

 A26.00001: Interface electrostatics in ferroelectric capacitors from first principles
Invited Speaker: Massimiliano Stengel

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Monday, March 16, 2009
8:36AM - 8:48AM

 A26.00002: Multiexciton absorption in CdSe nanocrystals
Alberto Franceschetti , Yong Zhang

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Monday, March 16, 2009
8:48AM - 9:00AM

 A26.00003: Electronic Structure of Thiolate Covered Gold Nanoparticles
Yan Li , Giulia Galli , Francois Gygi

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Monday, March 16, 2009
9:00AM - 9:12AM

 A26.00004: Covalently Bonded Aromatic Molecules on Gold using a GW Approach
Isaac Tamblyn , Su Ying Quek , Stanimir A. Bonev , Jeffrey B. Neaton

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Monday, March 16, 2009
9:12AM - 9:48AM

 A26.00005: First-principles studies of interfacial charge separation in nano-materials photovoltaic heterojunction
Invited Speaker: Yosuke Kanai

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Monday, March 16, 2009
9:48AM - 10:00AM

 A26.00006: Nanoscale phase stability reversals in titanium oxide polymorphs
Paul Kent , Daniel Hummer , James Kubicki , Jeffrey Post , Peter Heaney

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Monday, March 16, 2009
10:00AM - 10:12AM

 A26.00007: Domain boundary formation in helical multishell gold nanowire
Takeo Hoshi , Takeo Fujiwara

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Monday, March 16, 2009
10:12AM - 10:24AM

 A26.00008: Plasmon resonance of gold nanoparticles: the effect of surfactants and solvents
Jeremy Neal , Peter Palffy-Muhoray

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Monday, March 16, 2009
10:24AM - 10:36AM

 A26.00009: Investigation of atomic oxygen embedment into copper surface by DFT calculation
Minyoung Lee , Alan McGaughey , Susan Sinnott , Simon Phillpot , Judith Yang

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Monday, March 16, 2009
10:36AM - 10:48AM

 A26.00010: \textit{Ab initio} vibrational dynamics of Ag$_{27}$Cu$_{7}$ nanoalloy.
Marisol Alcantara Ortigoza , Rolf Heid , Klaus P. Bohnen , Talat S. Rahman

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Monday, March 16, 2009
10:48AM - 11:00AM

 A26.00011: Clusters, Platelets, and Nanowires of Mo-S, and Their Assemblies
P. Murugan , Vijay Kumar , Y. Kawazoe , N. Ota

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