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 K59: First-Principles Simulations of Excited-State Phenomena: Electron-phonon Interactions II
3:00 PM–5:36 PM,
Tuesday, March 7, 2023
Room: Room 301
Sponsoring
Unit:
DCOMP
Chair: Yuan Ping, University of California, Santa Cruz
Abstract: K59.00010 : Simulating electronic excitation induced proton transfer in heterogeneous environments*
5:12 PM–5:24 PM
Presenter:
Jianhang Xu
(University of North Carolina at Chapel Hill)
Authors:
Jianhang Xu
(University of North Carolina at Chapel Hill)
Ruiyi Zhou
(UNC Chapel Hill)
Christopher Malbon
(Yale University)
Tao E Li
(Yale University)
Volker Blum
(Duke University)
Sharon Hammes-Schiffer
(Yale University)
Yosuke Kanai
(University of North Carolina at Chapel H)
*This work is supported by the Center for Hybrid Approaches in Solar Energy to Liquid Fuels, CHASE, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Office of Science, under award number DE-SC0021173.
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