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Imaging covalent bond formation by H atom scattering from graphene
Hongyan Jiang1,2, Marvin Kammler1,2, Feizhi Ding3
1Institute for Physical Chemistry, Georg-August University of Göttingen, Tammannstraße 6, 37077 Göttingen, Germany.
Science (New York, N.Y.)
|April 27, 2019
Summary
Understanding how atoms form bonds is key in chemistry. This study reveals that hydrogen atoms rapidly lose energy on graphene via transient bond formation, leading to high sticking probabilities.
Area of Science:
- Chemical Physics
- Materials Science
- Surface Chemistry
Background:
- Observing atomic-scale motion during covalent bond formation presents a significant challenge.
- Understanding energy dissipation pathways is crucial for controlling chemical reactions at surfaces.
Purpose of the Study:
- To investigate the dynamics of hydrogen atom scattering from graphene.
- To elucidate the energy dissipation mechanisms and bond formation pathways involved.
Main Methods:
- Scattering experiments of hydrogen atoms from graphene.
- First-principles dynamics simulations to model atomic interactions and energy transfer.
Main Results:
- Observed a bimodal translational energy loss distribution for scattered H atoms.
- Identified a quasi-elastic scattering channel near physisorption sites.
- Revealed a second channel involving transient C-H bond formation with rapid energy loss (1-2 eV) within 10 femtoseconds.
Conclusions:
- Transient C-H bond formation on graphene involves rapid intramolecular vibrational relaxation due to C atom rehybridization.
- This process explains the high sticking probability of hydrogen atoms on graphene surfaces.
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