Article

Liquid–Liquid Phase Transition in Nanoconfined Silicon Carbide

Key Laboratory for Liquid−Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, People’s Republic of China
J. Am. Chem. Soc., 2016, 138 (8), pp 2815–2822
DOI: 10.1021/jacs.5b13467
Publication Date (Web): February 9, 2016
Copyright © 2016 American Chemical Society

Abstract

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We report theoretical evidence of a liquid–liquid phase transition (LLPT) in liquid silicon carbide under nanoslit confinement. The LLPT is characterized by layering transitions induced by confinement and pressure, accompanying the rapid change in density. During the layering transition, the proportional distribution of tetracoordinated and pentacoordinated structures exhibits remarkable change. The tricoordinated structures lead to the microphase separation between silicon (with the dominant tricoordinated, tetracoordinated, and pentacoordinated structures) and carbon (with the dominant tricoordinated structures) in the layer close to the walls. A strong layer separation between silicon atoms and carbon atoms is induced by strong wall–liquid forces. Importantly, the pressure confinement phase diagram with negative slopes for LLPT lines indicates that, under high pressure, the LLPT is mainly confinement-induced, but under low pressure, it becomes dominantly pressure-induced.

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Article Views: 678 Times
Received 25 December 2015
Published online 9 February 2016
Published in print 2 March 2016
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