Dynamics of Surface Reactions
DIPC Seminars
- Speaker
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Hua Guo, University of New Mexico
- When
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2019/03/15
13:00 - Place
- Donostia International Physics Center
- Add to calendar
-
iCal
Chemical reactions at gas-solid interfaces are of great importance in many
heterogeneous processes such as catalysis, corrosion, and material
fabrication. In this talk, dynamics of several prototypical surface processes,
including dissociative chemisorption, Eley-Rideal reactions, and desorption,
are explored theoretically on metal surfaces. For dissociative chemisorption,
quantum wave packets on global potential energy surfaces sheds light on mode
specificity and bond selectivity. For other processes, classical trajectories
have been used either on analytical potential energy surfaces or with forces
calculated on the fly are used to investigate reaction dynamics in the
presence of surface phonons and electron-hole pairs. Signatures of dynamics,
such as reactant mode specificity and product energy disposal, are examined
and compared with available experimental data to shed light on unique features
of surface reactions.
Host: Maite Alducin