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Growth Kinetics and Atomistic Mechanisms of Native Oxidation of ZrSxSe2- xand MoS2Crystals

Jo, SS and Singh, A and Yang, L and Tiwari, SC and Hong, S and Krishnamoorthy, A and Sales, MG and Oliver, SM and Fox, J and Cavalero, RL and Snyder, DW and Vora, PM and Mcdonnell, SJ and Vashishta, P and Kalia, RK and Nakano, A and Jaramillo, R (2020) Growth Kinetics and Atomistic Mechanisms of Native Oxidation of ZrSxSe2- xand MoS2Crystals. In: Nano Letters, 20 (12). pp. 8592-8599.

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Official URL: https://dx.doi.org/10.1021/acs.nanolett.0c03263


A thorough understanding of native oxides is essential for designing semiconductor devices. Here, we report a study of the rate and mechanisms of spontaneous oxidation of bulk single crystals of ZrSxSe2-x alloys and MoS2. ZrSxSe2-x alloys oxidize rapidly, and the oxidation rate increases with Se content. Oxidation of basal surfaces is initiated by favorable O2 adsorption and proceeds by a mechanism of Zr-O bond switching, that collapses the van der Waals gaps, and is facilitated by progressive redox transitions of the chalcogen. The rate-limiting process is the formation and out-diffusion of SO2. In contrast, MoS2 basal surfaces are stable due to unfavorable oxygen adsorption. Our results provide insight and quantitative guidance for designing and processing semiconductor devices based on ZrSxSe2-x and MoS2 and identify the atomistic-scale mechanisms of bonding and phase transformations in layered materials with competing anions. © 2020 American Chemical Society.

Item Type: Journal Article
Publication: Nano Letters
Publisher: American Chemical Society
Additional Information: Copyright to this article belongs to American Chemical Society
Keywords: Bonding; Gas adsorption; Growth kinetics; Layered semiconductors; Molybdenum compounds; Oxidation; Semiconducting selenium compounds; Semiconductor devices; Sulfur dioxide; Van der Waals forces, Atomistic mechanism; Atomistic scale; Bulk single crystals; Layered material; Oxidation rates; Oxygen adsorption; Rate-limiting process; Redox transition, Zircaloy
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 15 Mar 2021 06:34
Last Modified: 15 Mar 2021 06:34
URI: http://eprints.iisc.ac.in/id/eprint/67242

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