Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules.

Autor: Vats N; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Negi DS; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Singh D; Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Box 516, Uppsala, 75120, Sweden., Sigle W; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Abb S; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Sen S; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Szilagyi S; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Ochner H; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany., Ahuja R; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany.; Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Box 516, Uppsala, 75120, Sweden.; Department of Physics, Indian Institute of Technology Ropar, Rupnagar, Punjab, 140001, India., Kern K; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany.; Institut de Physique de la Matière Condensée, École Polytechnique Fédérale de Lausanne, Lausanne, CH-1015, Switzerland., Rauschenbach S; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany.; Department of Chemistry, University of Oxford, 12, Mansfield Road, Oxford, OX1 3TA, UK., van Aken PA; Max Planck Institute for Solid State Research, Heisenberstr.1, 70569, Stuttgart, Germany.
Jazyk: angličtina
Zdroj: Small (Weinheim an der Bergstrasse, Germany) [Small] 2021 Oct; Vol. 17 (42), pp. e2102037. Date of Electronic Publication: 2021 Sep 16.
DOI: 10.1002/smll.202102037
Abstrakt: Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kinetic energy and current density of the fast electrons. Recent studies have demonstrated that the presence of certain species of atoms can catalyze atomic bond dissociation processes under the electron beam by reducing their threshold energy. Most of the reported catalytic atom species are single atoms, which have strong interaction with single-layer graphene (SLG). Yet, no such behavior has been reported for molecular species. This work shows by experimentally comparing the interaction of alkali and halide species separately and conjointly with SLG, that in the presence of electron irradiation, etching of SLG is drastically enhanced by the simultaneous presence of alkali and iodine atoms. Density functional theory and first principles molecular dynamics calculations reveal that due to charge-transfer phenomena the CC bonds weaken close to the alkali-iodide species, which increases the carbon displacement cross-section. This study ascribes pronounced etching activity observed in SLG to the catalytic behavior of the alkali-iodide species in the presence of electron irradiation.
(© 2021 The Authors. Small published by Wiley-VCH GmbH.)
Databáze: MEDLINE
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