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Meeting 2016 TMS Annual Meeting & Exhibition
Symposium Driving Discovery: Integration of Multi-Modal Imaging and Data Analysis
Presentation Title Modeling Multi-modal Images of Photocatalysis on Cu<sub>2</sub>O
Author(s) Liang Li, Yimin Wu, Yuzi Liu, Jeffrey Guest, Tijana Rajh, Ian McNulty, Zhonghou Cai, Maria Chan
On-Site Speaker (Planned) Maria Chan
Abstract Scope Photocatalytic reactions occur on the surfaces of samples, and can be sensitive to atomic scale surface stoichiometry variations, structural defects, and impurities. The use of multi-modal imaging at atomic scale, such as Scanning Tunneling Microscopy (STM) and Transmission Electron Microscopy (TEM), is instrumental for developing a fundamental understanding of photocatalytic processes. Atomistic first principles modeling such as with density functional theory (DFT) access the same length scales, and provides corroborating thermodynamic and electronic structure information, as well as simulations of microscopy and spectroscopy data. In this talk, we will discuss DFT modeling and simulation of STM/TEM images and related spectroscopies for the photocatalytic CO<sub>2</sub> reduction process on Cu<sub>2</sub>O. The use of the same underlying atomistic models to produce multi-modal imaging data, and the power to harness information from the correspondence, will be illustrated.
Proceedings Inclusion? Planned: A print-only volume


3D and 4D Characterization of Failure Mechanisms in Commercial Li-Ion Batteries
Bingham Mixture Model for Efficient Microtexture Estimation from Discrete Orientation Data
Correlation of Multi-modal Chemical Imaging with Computational Simulations for Energy Materials
Digital Representation of Materials Grain Structure from Four-Dimensional X-ray Microtomography Data
Error Analysis of Near-field High Energy Diffraction Microscopy
In Situ Synchrotron Quantification of Evolving Solidification Microstructures in Ni and Co Based Alloys
Integrated Imaging: The Sum is Greater than the Parts
Integrated Multimodal Imaging of Cathodes for Lithium Ion Battery
Methodology for Reconstruction of Samples Analyzed with Simultaneous Neutron and X-Ray Imaging
Modeling Multi-modal Images of Photocatalysis on Cu2O
Multi-Modality Imaging at the Hard X-ray Nanoprobe Beamline at the NSLS-II
Multi-scale, Multi-Model Analysis of Deformation Behavior in Metallic Materials by X-ray Microtomography, FIB, and EBSD
Neutrons, Materials and Data Challenges
Real Time Analysis, Interpretation and Experimental Steering for Electron Microscopy
Recognizing Patterns from Experimental Data
Structure Quantification, Property Prediction and 4D Reconstruction Using Limited X-ray Tomography Data

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