L02 - Electrochemical Reactions

Tuesday, 31 May 2022: 14:00-17:20
West Meeting Room 120 (Vancouver Convention Center)
Chair:
Stephen Paddison
14:00
1945
Template-Free Reaction Networks Enable Predictive and Automated Analysis of Complex Electrochemical Reaction Cascades
D. Barter, E. W. C. Spotte-Smith (Lawrence Berkeley National Laboratory), N. S. Redkar (Lawrence Berkeley National Laboratory, University of California, Berkeley), S. Dwaraknath (Luxembourg Institute of Science and Technology), K. A. Persson (University of California, Berkeley), and S. M. Blau (Lawrence Berkeley National Laboratory)
14:20
1946
Calculations of pH-Dependent Redox Potentials for Proton-Coupled Electron Transfer Reactions
P. de Silva (Technical University of Denmark)
14:40
1947
Simulating Scanning Electrochemical Microscopy Images of Arbitrarily Shaped Reactive Sites without a Site-Specific Model
N. Leslie and J. Mauzeroll (McGill University)
15:00
1948
An Efficient Modeling Framework for Electrodeposition in Lithium Metal Batteries
T. Jang, L. Mishra, M. Uppaluri (University of Texas at Austin), S. A. Roberts (Sandia National Laboratories), and V. R. Subramanian (University of Texas at Austin)
15:20
1949
Towards Efficient Direct Air Capture of CO2 Using Computational Modeling
R. Cepitis, N. Kongi (University of Tartu), and V. Ivanistsev (University of Copenhagen)
15:40
Break
16:00
1950
Mechanistic Insights in the CO2RR of MoS2 from in Operando X-Ray Spectroscopy
S. Jamnuch (University of California San Diego), K. Kumar (University of Illinois at Chicago), T. A. Pascal (University of California, San Diego), and J. Cabana (Joint Center for Energy Storage Research)
16:20
1951
Multi-Scale Modeling of Electrochemical Carbon Dioxide Capture and Conversion
P. Brimley (University of Colorado Boulder), D. Vigil-Fowler (National Renewable Energy Laboratory), C. Musgrave (University of Colorado Boulder), and W. Smith (National Renewable Energy Laboratory)
16:40
1952
A Theoretical Investigation into pH of Neat Water at the Nanoscopic Scale Via Rexpon Force Field and Stochastic Simulations
S. Li (Lawrence Berkeley National Lab), S. Kwon (Caltech), E. Yu (University of California, Berkeley), W. Goddard (California Institute of Technology), and F. Houle (Lawrence Berkeley National Laboratory)
17:00
1953
(Digital Presentation) Understanding Kinetics of Metal Dissolution from Integrated Multiscale Simulations and Experiments
S. Sharma, S. E. Weitzner, R. Shi (Lawrence Livermore National Laboratory), A. Zagalskaya (University of Nebraska, Lincoln), S. Cho (Lawrence Livermore National Laboratory), L. Eggart (Michigan Tech University), V. Alexandrov (University of Nebraska-Lincoln), C. Orme, A. T. Pham (Lawrence Livermore National Laboratory), and B. C. Wood (LLNL)
See more of: L02: Computational Electrochemistry 7
See more of: Physical and Analytical Electrochemistry, Electrocatalysis, and Photoelectrochemistry
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