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Issue 1, 2021
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Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)

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Abstract

In this work, we characterize the adsorption of pentacene molecules on Ir(111) and their behaviour as a function of temperature. While room temperature adsorption preserves the molecular structure of the five benzene rings and the bonds between carbon and hydrogen atoms, we find that complete C–H molecular break up takes place between 450 K and 550 K, eventually resulting in the formation of small graphene islands at temperatures larger than 800 K. Most importantly a reversible temperature-induced dehydrogenation process is found when the system is annealed/cooled in a hydrogen atmosphere with a pressure higher than 5 × 10−7 mbar. This novel process could have interesting implications for the synthesis of larger acenes and for the manipulation of graphene nanoribbon properties.

Graphical abstract: Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)

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Submitted
07 Jul 2020
Accepted
02 Nov 2020
First published
03 Nov 2020

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2021,12, 170-178
Article type
Edge Article

Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)

D. Curcio, E. Sierda, M. Pozzo, L. Bignardi, L. Sbuelz, P. Lacovig, S. Lizzit, D. Alfè and A. Baraldi, Chem. Sci., 2021, 12, 170
DOI: 10.1039/D0SC03734F

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