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  Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces.

Park, G. B., Krüger, B. C., Borodin, D., Kitsopoulos, T., & Wodtke, A. M. (2019). Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces. Reports on Progress in Physics, 82(9): 09640. doi:10.1088/1361-6633/ab320e.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-4C02-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-9A1E-E
Genre: Journal Article

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3143398.pdf (Publisher version), 5MB
 
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 Creators:
Park, G. B.1, Author              
Krüger, B. C.1, Author              
Borodin, D., Author
Kitsopoulos, T.1, Author              
Wodtke, A. M.1, Author              
Affiliations:
1Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society, ou_578600              

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Free keywords: energy exchange at surfaces; molecular beam scattering; nonadiabatic dynamics; surface reaction kinetics; surface science
 Abstract: The dream of theoretical surface chemistry is to predict the outcome of reactions in order to find the ideal catalyst for a certain application. Having a working <i>ab initio</i> theory in hand would not only enable these predictions but also provide insights into the mechanisms of surface reactions.The development of theoretical models can be assisted by experimental studies providing benchmark data. Though for some reactions a quantitative agreement between experimental observations and theoretical calculations has been achieved, theoretical surface chemistry is in general still far away from gaining predictive power. Here we review recent experimental developments towards the understanding of surface reactions. It is demonstrated how quantum-state resolved scattering experiments on reactive and nonreactive systems can be used to test front-running theoretical approaches. Two challenges for describing dynamics at surfaces are addressed: nonadiabaticity in diatomic molecule surface scattering and the increasing system size when observing and describing the dynamics of polyatomic molecules at surfaces. Finally recent experimental studies on reactive systems are presented. It is shown how elementary steps in a complex surface reaction can be revealed experimentally.

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Language(s): eng - English
 Dates: 2019-07-152019-08-21
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1088/1361-6633/ab320e
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Title: Reports on Progress in Physics
Source Genre: Journal
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Pages: 38 Volume / Issue: 82 (9) Sequence Number: 09640 Start / End Page: - Identifier: -