Chemisorption and Surface Reactions
ORAL · Q10 ·
Presentations
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Catalytic Reactions of DNT and TNT Molecules on Porphyrin Complexes
ORAL
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Authors
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Keith Warnick
- Vanderbilt University
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Bin Wang
- Vanderbilt University
- Department of Physics and Astronomy, Vanderbilt University
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Sokrates Pantelides
- Vanderbilt U./ORNL
- Vanderbilt University
- Vanderbilt University, Oak Ridge National Laboratory
- Vanderbilt University and Oak Ridge National Laboratory
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Reactivity of TiO$_{2}$ Rutile and Anatase Surfaces toward Nitroaromatics
ORAL
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Authors
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Shao-Chun Li
- Department of Physics and Engineering physics, Tulane University, New Orleans, LA 70118, USA
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Ulrike Diebold
- Department of Physics and Engineering physics, Tulane University, New Orleans, LA 70118, USA
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The role of subsurface oxygen in the selectivity enhancement of ethylene epoxidation on Ag-Cu Catalysts
ORAL
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Authors
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Ngoc Linh Nguyen
- International School for Advanced Studies (SISSA), via Bonomea 265 Trieste Italy
- SISSA and CNR-IOM DEMOCRITOS,Trieste, Italy
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Stefano de Gironcoli
- International School for Advanced Studies (SISSA) and CNR-IOM DEMOCRITOS Simulation Center, via Bonomea 265, 34136 Trieste, Italy
- International School for Advanced Studies (SISSA), via Bonomea 265 Trieste Italy
- SISSA and CNR-IOM DEMOCRITOS,Trieste, Italy
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Simone Piccinin
- CNR-IOM, DEMOCRITOS National Simulation Center, Theory@Elettra Group, Trieste, Italy
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Surface defects activate new reaction paths: formation of formate during methanol oxidation on defective Ru(0001)
ORAL
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Authors
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I. Palacio
- Dpt. Material Physics - University Complutense at Madrid
- Complutense University Madrid-SPAIN
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O. Rodr\'Iguez de la Fuente
- Complutense University Madrid-SPAIN
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Dynamics of Low-Energy Electron Induced Reactions in Condensed
ORAL
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Authors
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Michael Boyer
- Wellesley College
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ChanMyaeMyae Soe
- Wellesley College
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Kristal Chamberlain
- Wellesley College
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Yomay Shyur
- Wellesley College
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Christopher Arumainayagam
- Wellesley College
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X-ray Induced Reorganization/Polymerization of Resorcinol on the TiO$_{2}$ Rutile (110) Surface
ORAL
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Authors
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Vinod Kumar Paliwal
- Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118, USA.
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Shao-Chun Li
- Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118, USA.
- Tulane University
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Ulrike Diebold
- Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118, USA
- Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118, USA.
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Propane-1,3-diol Adsorption and Dissociation on Rutile TiO$_{2}$(110): A Scanning Tunneling Microscopy Study
ORAL
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Authors
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Zhenrong Zhang
- Department of Physics, Baylor University
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Xiao Lin
- Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory
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Bruce Kay
- Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory
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Zdenek Dohn\'alek
- Chemical and Materials Sciences Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory
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First-Principles Studies of Electric Field Effects in Heterogeneous Catalysis: NH$_{3 }$on Ru(0001)
ORAL
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Authors
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Aaron Sisto
- Department of Mechanical Engineering, Purdue University, West Lafayette, IN 47906
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Alexey Zayak
- Molecular Foundry, LBNL, Berkeley, CA 94720
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Jeffrey Neaton
- Molecular Foundry, LBNL
- Molecular Foundry, LBNL, Berkeley, CA 94720
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Adsorption and dissociation of molecular oxygen on $\alpha $-Pu (020) surface: A density functional study
ORAL
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Authors
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Jianguang Wang
- University of Texas at Arlington
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Asok Ray
- University of Texas at Arlington
- Department of Physics, University of Texas at Arlington
- Department of Physics, University of Texas at Arlington, Arlington, TX 76019
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ABSTRACT WITHDRAWN
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Structure and Adsorption on Hydrated Alumina Surfaces
ORAL
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Authors
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Vincenzo Lordi
- Lawrence Livermore National Laboratory
- Lawrence Livermore National Lab
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Patrick Huang
- Lawrence Livermore National Lab
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Eric Schwegler
- Lawrence Livermore National Lab
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Ag/Al$_2$O$_3$/FeAl(110): Electronic structure and NO$_2$ adsorption
ORAL
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Authors
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Matthew Patterson
- Department of Physics and Astronomy, Louisiana State University
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Orhan Kizilkaya
- Center for Advanced Microstructures and Devices, Louisiana State University
- CAMD, Louisiana State University
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Richard Kurtz
- Department of Physics and Astronomy and Center for Advanced Microstructures and Devices, Louisiana State University
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Phillip Sprunger
- Department of Physics and Astronomy and Center for Advanced Microstructures and Devices, Louisiana State University
- Louisiana State University
- Dept. of Physics, Louisiana State University
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Neutron and Thermodynamic Studies of Hydrogen on Pd Decorated Metal Oxides
ORAL
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Authors
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Paige Landry
- University of Tennessee
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A. Ramirez-Cuesta
- ISIS
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E. Cruz Silvia
- Oak Ridge National Lab
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B. Sumpter
- Oak Ridge National Lab
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J.Z. Larese
- University of Tennessee
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Atomistic Mechanism of Surface Oxide Formation on Pt(111)
ORAL
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Authors
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Zhengzheng Chen
- Department of Chemical and Biomolecular Egineering, University of Notre Dame
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Chao Wu
- Department of Chemical and Biomolecular Egineering, University of Notre Dame
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William Schneider
- Department of Chemical and Biomolecular Egineering, Department of Chemistry and Biochemistry, University of Notre Dame
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Tuning Semiconductor Band Edge Energies via Surface Ligand Passivation
ORAL
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Authors
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Shenyuan Yang
- Molecular Foundry, Lawrence Berkeley National Laboratory
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David Prendergast
- Molecular Foundry, Lawrence Berkeley National Laboratory
- Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL)
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Lab
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Jeffrey B. Neaton
- Molecular Foundry, LBNL
- Molecular Foundry, Lawrence Berkeley National Laboratory
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