文摘
We implement a model for nanocrystal growth and crystallographic phase transition during the synthesis of β-NaYF4. In this model, the size of the α-phase nanoparticles, formed during the heating of the precursor materials, grows slightly in mean diameter and broadens in distribution width until some particles reach a size at which the β phase is thermodynamically favored. Individual particles crossing this threshold convert to the β phase, and then, being less soluble than the α phase, grow at the expense of dissolving α-phase particles. Implementing a straightforward kinetic formalism for individual particle growth and a variable phase definition depending on particle size, the model reproduces, in a quantitative fashion, the experimentally observed growth dynamics of β- NaYF4:Yb,Er. This work supports a hypothesis that the β-particle seeds arise from a phase transition in individual α-phase particles. The model also suggests that the great variability observed in the duration of the stage during which the α particle ripen, before β particles begin to appear, may be attributed to rather small differences in the size distribution of the α particles formed during the heating of precursor material.