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  Imaging covalent bond formation by H atom scattering from graphene.

Jiang, H., Kammler, M., Ding, F., Dorenkamp, Y., Manby, F. R., Wodtke, A. M., et al. (2019). Imaging covalent bond formation by H atom scattering from graphene. Science, 364(6438), 379-382. doi:10.1126/science.aaw6378.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-7F49-E Version Permalink: http://hdl.handle.net/21.11116/0000-0003-B544-4
Genre: Journal Article

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3052481.pdf (Publisher version), 573KB
 
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 Creators:
Jiang, H.1, Author              
Kammler, M.1, Author              
Ding, F., Author
Dorenkamp, Y.1, Author              
Manby, F. R., Author
Wodtke, A. M.1, Author              
Miller, T. F., Author
Kandratsenka, A.1, Author              
Bünermann, O., Author
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1Department of Dynamics at Surfaces, MPI for Biophysical Chemistry, Max Planck Society, ou_578600              

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 Abstract: Viewing the atomic-scale motion and energy dissipation pathways involved in forming a covalent bond is a longstanding challenge for chemistry. We performed scattering experiments of H atoms from graphene and observed a bimodal translational energy loss distribution. Using accurate first-principles dynamics simulations, we show that the quasi-elastic channel involves scattering through the physisorption well where collision sites are near the centers of the six-membered C-rings. The second channel results from transient C-H bond formation, where H atoms lose 1 to 2 electron volts of energy within a 10-femtosecond interaction time. This remarkably rapid form of intramolecular vibrational relaxation results from the C atom's rehybridization during bond formation and is responsible for an unexpectedly high sticking probability of H on graphene.

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Language(s): eng - English
 Dates: 2019-04-26
 Publication Status: Published online
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 Rev. Method: Peer
 Identifiers: DOI: 10.1126/science.aaw6378
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Title: Science
Source Genre: Journal
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Pages: - Volume / Issue: 364 (6438) Sequence Number: - Start / End Page: 379 - 382 Identifier: -