Calvo Florent
Laboratoire Interdisciplinaire de Physique, Rue de La Piscine, Campus Saint Martin d'Hres, 38000 Grenoble, France. florent.calvo@ujfgrenoble.
Phys Chem Chem Phys. 2015 Nov 14;17(42):27922-39. doi: 10.1039/c5cp00274e. Epub 2015 Feb 27.
This article reviews recent advances in our understanding of how temperature affects the structure and the phase of multimetallic nanoparticles. Focusing on bimetallic systems, we discuss the interplay of size, shape and chemical order on the stable configurations at thermal equilibrium. Besides some considerations about experimental evidence for thermally-induced transformations, most insight is generally gained from theory and computation. The perspectives offered by mesoscopic approaches (i.e. corrected from the bulk) and atomistic simulations complement each other and often provide detailed information about the respective roles of coordination, composition and more generally surface effects to be evaluated. Order-disorder transitions and the melting phase change are strongly altered in nanoscale systems, and we describe how they possibly impact entire phase diagrams.
本文综述了我们在理解温度如何影响多金属纳米颗粒的结构和相方面的最新进展。聚焦于双金属体系,我们讨论了尺寸、形状和化学有序性在热平衡时稳定构型上的相互作用。除了对热诱导转变的实验证据的一些考量外,大多数见解通常来自理论和计算。介观方法(即从体相修正)和原子模拟提供的观点相互补充,并且常常提供有关配位、组成以及更普遍的表面效应各自作用的详细信息以供评估。在纳米尺度体系中,有序-无序转变和熔化相变会发生强烈变化,我们描述了它们如何可能影响整个相图。