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Subject: Temperature × WGL Institute: IOM ×

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    Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: A molecular dynamics study
    (College Park, MD : Institute of Physics Publishing, 2010) Vree., C.; Mayr, S.G.
    The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T *, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics. © IOP Publishing Ltd. and Deutsche Physikalische Gesellschaft.
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    Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers
    (London : Nature Publishing Group, 2021) Marinov, Daniil; de Marneffe, Jean-François; Smets, Quentin; Arutchelvan, Goutham; Bal, Kristof M.; Voronina, Ekaterina; Rakhimova, Tatyana; Mankelevich, Yuri; El Kazzi, Salim; Nalin Mehta, Ankit; Wyndaele, Pieter-Jan; Heyne, Markus Hartmut; Zhang, Jianran; With, Patrick C.; Banerjee, Sreetama; Neyts, Erik C.; Asselberghs, Inge; Lin, Dennis; De Gendt, Stefan
    The cleaning of two-dimensional (2D) materials is an essential step in the fabrication of future devices, leveraging their unique physical, optical, and chemical properties. Part of these emerging 2D materials are transition metal dichalcogenides (TMDs). So far there is limited understanding of the cleaning of “monolayer” TMD materials. In this study, we report on the use of downstream H2 plasma to clean the surface of monolayer WS2 grown by MOCVD. We demonstrate that high-temperature processing is essential, allowing to maximize the removal rate of polymers and to mitigate damage caused to the WS2 in the form of sulfur vacancies. We show that low temperature in situ carbonyl sulfide (OCS) soak is an efficient way to resulfurize the material, besides high-temperature H2S annealing. The cleaning processes and mechanisms elucidated in this work are tested on back-gated field-effect transistors, confirming that transport properties of WS2 devices can be maintained by the combination of H2 plasma cleaning and OCS restoration. The low-damage plasma cleaning based on H2 and OCS is very reproducible, fast (completed in a few minutes) and uses a 300 mm industrial plasma etch system qualified for standard semiconductor pilot production. This process is, therefore, expected to enable the industrial scale-up of 2D-based devices, co-integrated with silicon technology.