Details

Autor(en) / Beteiligte

• Jiang, Hongyan
• Kammler, Marvin
• Ding, Feizhi
• Dorenkamp, Yvonne
• Manby, Frederick R
• Wodtke, Alec M
• Miller, 3rd, Thomas F
• Kandratsenka, Alexander
• Bünermann, Oliver

Titel

Imaging covalent bond formation by H atom scattering from graphene

Ist Teil von

• Science (American Association for the Advancement of Science), 2019-04, Vol.364 (6438), p.379-382

Ort / Verlag

United States: The American Association for the Advancement of Science

Erscheinungsjahr

2019

Link zum Volltext

Quelle

American Association for the Advancement of Science

Beschreibungen/Notizen

• 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.