Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session M45: Energy - Catalysis
8:00 AM–10:24 AM,
Wednesday, March 8, 2023
Room: Room 315
Sponsoring
Unit:
GERA
Chair: Liang An, The Hong Kong Polytechnic University
Abstract: M45.00011 : Extended Born-Haber cycle for explaining oxygen-chlorine chemisorption scaling on transition metals*
10:00 AM–10:12 AM
Presenter:
Robert B Wexler
(Washington University in St. Louis)
Authors:
Robert B Wexler
(Washington University in St. Louis)
Emily A Carter
(Princeton University)
*This work was conducted within the Computational Chemical Science Cen- ter: Chemistry in Solution and at Interfaces at Princeton University, sup- ported as part of the Computational Chemical Sciences Program funded by the U.S. Department of Energy (DoE), Office of Science, Basic Energy Sci- ences, under Award no. DE-SC0019394. The authors thank the National Energy Research Scientific Computing Center for computing resources. They also acknowledge the use of TIGRESS High Performance Computer Center at Princeton University.
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