CO2 conversion

Wednesday, June 17, 2015: 1:30 PM-3:10 PM
408-410 (Lawrence Convention Center)
Andrew A. Peterson, Brown University, USA.
1:30 PM
Density Functional Theory Based Fast Screening of Catalytic Activities for Co-Electrolysis of Steam and Carbon Dioxide on Binary Transition Metal Alloys
Jeong Woo Han, Jeonghyun Ko and Hyunguk Kwon, University of Seoul, South Korea.
1:50 PM
Theoretical Study of Catalysts for CO2 Conversion: From Metal, Alloy to Metal-Oxide
Yixiong Yang1, Michael G. White1,2, Jose Rodriguez2 and Ping Liu2, (1)Stony Brook University, USA, (2)Brookhaven National Laboratory, USA.
2:10 PM
Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2
Mohammadreza Karamad1, Heine Anton Hansen1, Jan Rossmeisl2 and Jens K. Nørskov1,3, (1)Stanford University, USA, (2)Technical University of Denmark, Denmark, (3)SLAC National Accelerator Laboratory, USA.
2:30 PM
Systematic Identification of Multimetallic Catalysts for Electrochemical CO2 Reduction Using Quantum Chemical Modeling and Machine Learning
Xianfeng Ma, Zheng Li, Luke Achenie and Hongliang Xin, Virginia Tech, USA.
2:50 PM
Mechanism of CO2 Hydrogenation to Formates By Lutidine-Derived Ru-Cnc and Ru-PNP Pincer Catalysts: From a Theoretical Description to Performance Optimization
Georgy Filonenko, Emiel Hensen and Evgeny Pidko, Eindhoven University of Technology, Netherlands.
See more of: Catalyst Modelling and Simulation
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