Wednesday, March 7, 2018
8:00AM - 8:12AM
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K17.00001: High Catalytic Activity of Singly Distributed Pd1/ZnO(10-10) toward Methanol Partial Oxidation: A DFT based Accelerated Kinetic Monte Carlo Study
Sampyo Hong, Takat Rawal, Shree Ram Acharya, Talat Rahman
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Wednesday, March 7, 2018
8:12AM - 8:24AM
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K17.00002: Computational Approach to Water Adsorption on TiO2-Anatase(101): Insights from Periodic Slab and Embedded Cluster Calculations
Thorben Petersen, Thorsten Klüner
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Wednesday, March 7, 2018
8:24AM - 8:36AM
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K17.00003: Understanding of solid/liquid and solid/gas interfaces in reactions from the in-situ/operando soft x-ray spectroscopy
Jinghua Guo, Yi-Sheng Liu, Per-Anders Glans
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Wednesday, March 7, 2018
8:36AM - 8:48AM
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K17.00004: Time-Resolved and Space-Resolved Study of Iron Oxide Nanoparticle Self-Assembly on Liquid Surfaces by Using In-Situ Small Angle X-Ray Scattering
Jiayang Hu, Brady Pan, Evan Spotte-Smith, Ni Huo, Irving Herman
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Wednesday, March 7, 2018
8:48AM - 9:00AM
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K17.00005: Prevention of surface recombination by electrochemical tuning of TiO2-passivated photocatalysts
Bingya Hou, Fatemeh Rezaeifar, Jing Qiu, Guangtong Zeng, Rehan Kapadia, Steve Cronin
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Wednesday, March 7, 2018
9:00AM - 9:12AM
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K17.00006: Microscopic Spin-Orbit Torque in 3d-5d Transition Metal Bilayers Based on Tight-Binding Model
Yafei Ren, Junjie Zeng, Tao Hou, Hui Yang, Zhenhua Qiao, Allan MacDonald
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Wednesday, March 7, 2018
9:12AM - 9:24AM
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K17.00007: First-Principles Simulations on the Microscopic Mechanism of Smart Water Enhanced Oil Recovery
Yun-Peng Wang, Sebastian Zuluaga, Sokrates Pantelides
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Wednesday, March 7, 2018
9:24AM - 9:36AM
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K17.00008: Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site
Rainer Beck, Helen Chadwick, Ana Gutiérrez-González
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Wednesday, March 7, 2018
9:36AM - 9:48AM
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K17.00009: Adsorption and dissociation processes of water on tungsten trioxide (001) from first principles
Thomas Teusch, Thorsten Klüner
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Wednesday, March 7, 2018
9:48AM - 10:00AM
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K17.00010: Annealing Effects on Bulk and Surface Properties of Lithium Niobate
Christopher Keck, Mario Rodriguez, Uday Singh, Sara Callori, Mark Koten, Jeffrey Shield, Le Zhang, Xuegang Chen, Xia Hong, Shireen Adenwalla
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Wednesday, March 7, 2018
10:00AM - 10:12AM
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K17.00011: Surface reconstruction of half-Heusler semiconductors – CoTiSb and NiTiSn
Abhishek Sharan, Jason Kawasaki, Chris Palmstrom, Anderson Janotti
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Wednesday, March 7, 2018
10:12AM - 10:24AM
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K17.00012: Adsorption and decomposition of organophosphonates on MoO2: A DFT and APXPS study
Roman Tsyshevskiy, Ashley Head, Lena Trotochaud, Bryan Eichhorn, Hendrik Bluhm, Maija Kuklja
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Wednesday, March 7, 2018
10:24AM - 10:36AM
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K17.00013: Coordinated Computational and Experimental Study of Oxide Formation Tuning on Cu Surfaces
Matthew Curnan, Meng Li, Christopher Andolina, Wissam Saidi, Judith Yang
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Wednesday, March 7, 2018
10:36AM - 10:48AM
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K17.00014: Abstract Withdrawn
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Wednesday, March 7, 2018
10:48AM - 11:00AM
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K17.00015: Watching hydrogen interaction with graphene: an ab initio molecular dynamics study using embedded mean-field theory
Feizhi Ding, Thomas Miller
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