Kinetic Role of Carbon in Solid-State Synthesis of Zirconium Diboride using Nanolaminates: Nanocalorimetry Experiments and First-Principles Calculations.
作者： Dongwoo Lee , Gi-dong Sim , Kejie Zhao , Joost J. Vlassak
DOI: 10.1021/ACS.NANOLETT.5B03829
关键词: Materials science 、 Amorphous solid 、 Alloy 、 Crystallization 、 Diffusion barrier 、 Chemical engineering 、 Amorphous metal 、 Ceramic 、 Carbon 、 Zirconium diboride
摘要: Reactive nanolaminates afford a promising route for the low-temperature synthesis of zirconium diboride, an ultrahigh-temperature ceramic with metallic properties. Although addition carbon is known to facilitate sintering ZrB2, its effect on kinetics formation reaction has not been elucidated. We have employed combined approach nanocalorimetry and first-principles theoretical studies investigate kinetic role in ZrB2 using B4C/Zr reactive nanolaminates. Structural characterization laminates by XRD TEM reveal that proceeds via interdiffusion B4C Zr layers, which produces amorphous Zr3B4C alloy. This alloy then crystallizes form supersaturated ZrB2(C) compound. A analysis shows lowers energy barriers both crystallization more than 20%. Energetic calculations based modeling suggest reduction diffusion barrier may be attributed stronger bonding between C as compared B.
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