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

Curcio, Davide; Sierda, Emil; Pozzo, Monica; Bignardi, Luca; Sbuelz, Luca; Lacovig, Paolo; Lizzit, Silvano; Baraldi, Alessandro

doi:10.1039/d0sc03734f

Cited by 5 publications

(4 citation statements)

References 59 publications

(82 reference statements)

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“…To further confirm the advantage of Pt-catalyzed dehydrogenation at the contact interface, we compared the current density of C 10 -DNTT and pentacene OFETs with transferred-Pt and -Au contact, where the pentacene dehydrogenation on Pt surface is unable to happen at room temperature 29,30 . Therefore, the observed enhancement of current density in transferred-Pt pentacene OFETs is mainly from the higher work function of Pt (Supplementary Fig.…”

Section: Mechanistic Insight Of Low Contact Resistancementioning

confidence: 99%

Ultralow contact resistance in organic transistors via orbital hybridization

Zeng

Qiao

et al. 2023

Nat Commun

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Organic field-effect transistors (OFETs) are of interest in unconventional form of electronics. However, high-performance OFETs are currently contact-limited, which represent a major challenge toward operation in the gigahertz regime. Here, we realize ultralow total contact resistance (Rc) down to 14.0 Ω ∙ cm in C10-DNTT OFETs by using transferred platinum (Pt) as contact. We observe evidence of Pt-catalyzed dehydrogenation of side alkyl chains which effectively reduces the metal-semiconductor van der Waals gap and promotes orbital hybridization. We report the ultrahigh performance OFETs, including hole mobility of 18 cm2 V−1 s−1, saturation current of 28.8 μA/μm, subthreshold swing of 60 mV/dec, and intrinsic cutoff frequency of 0.36 GHz. We further develop resist-free transfer and patterning strategies to fabricate large-area OFET arrays, showing 100% yield and excellent variability in the transistor metrics. As alkyl chains widely exist in conjugated molecules and polymers, our strategy can potentially enhance the performance of a broad range of organic optoelectronic devices.

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Section: Mechanistic Insight Of Low Contact Resistancementioning

confidence: 99%

Ultralow contact resistance in organic transistors via orbital hybridization

Zeng

Qiao

et al. 2023

Nat Commun

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“…Another problem is that the most stable monomer is the one with four hydrogen vacancies on the same outer ring according to our test. is able to rehydrogenate again on Ir(111) 37 . Considering the need for considerable hydrogen migration, we do, however, expect that the formation of the global minimum energy structure will be kinetically hindered.…”

Section: B Pentacenementioning

confidence: 99%

Dimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene

Tang

Hammer

2022

The Journal of Chemical Physics

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Dimerization of polycyclic aromatic hydrocarbons (PAHs) is an important, yet poorly understood, step in the on-surface synthesis of graphene (nanoribbon), soot formation, and growth of carbonaceous dust grains in the interstellar medium (ISM). The on-surface synthesis of graphene and the growth of carbonaceous dust grains in the ISM require the chemical dimerization in which chemical bonds are formed between PAH monomers. An accurate and cheap method of exploring structure rearrangements is needed to reveal the mechanism of chemical dimerization on surfaces. This work has investigated the chemical dimerization of two dehydrogenated PAHs (coronene and pentacene) on graphene via an evolutionary algorithm augmented by machine learning surrogate potentials and a set of customized structure operators. Different dimer structures on surfaces have been successfully located by our structure search methods. Their binding energies are within the experimental errors of temperature programmed desorption measurements. The mechanism of coronene dimer formation on graphene is further studied and discussed.

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“…From the above reasons, it appears clearly that understanding the reactivity of PAHs and their derivatives, as well as their on-surface behavior, is of particular importance due to their potential implications in astrochemistry, nanoelectronics, and fundamental sciences. − …”

Section: Introductionmentioning

confidence: 99%

Pyrene Adsorption on a Ag(111) Surface

et al. 2021

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This work describes the adsorption of pyrene molecules on a Ag(111) surface. We first demonstrate that despite its high vapor pressure, pyrene molecules can form ordered films under ultrahigh vacuum conditions, presenting a well-contrasted diffraction pattern. Studies using high-resolution electron energy loss spectroscopy and ultraviolet photoelectron spectroscopy provide compelling evidence of a physisorbed system where the molecules only weakly interact with the substrate underneath. Comparisons with theoretical calculations, as well as with data obtained from optical spectroscopies, clearly demonstrate that the vibrational and electronic properties of the adsorbed molecules are similar to the expected ones for pristine pyrene. Finally, we used temperature-programmed X-rays photoelectron spectroscopy to study the desorption process of pyrene on the Ag(111) surface and estimate its activation energy to desorption.

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

Abstract: In this work, we characterize the adsorption of pentacene molecules on Ir(111) and their behaviour as a function of temperature. While the room temperature adsorption preserves the five-benzene rings molecular...

Cited by 5 publications

References 59 publications

Ultralow contact resistance in organic transistors via orbital hybridization

Ultralow contact resistance in organic transistors via orbital hybridization

Dimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene

Pyrene Adsorption on a Ag(111) Surface

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