preprints.org > physical sciences > condensed matter physics > doi: 10.20944/preprints202408.1795.v2 (registering DOI)

Preprint Article Version 2 This version is not peer-reviewed

Version 1 : Received: 23 August 2024 / Approved: 23 August 2024 / Online: 26 August 2024 (06:54:19 CEST)
Version 2 : Received: 2 November 2024 / Approved: 5 November 2024 / Online: 5 November 2024 (09:58:28 CET)

Predicting the thermophysical properties of designed materials at the nanoscale is crucial. However, this remains a significant challenge despite numerous efforts by researchers and scientists. This paper presents a unified thermodynamic model to study the size and shape-dependent cohesive energy, as well as the melting temperature of semiconductor nanosolids, including InSb, ZnSe, CdS, and CdSe. The model provides insight into the thermal stability of nanosolid materials by considering the combined impact of size, shape, and packing density. The finding indicates that smaller nanoparticles exhibit a lower cohesive energy compared to larger ones. Our unified thermodynamic model yields results consistent with experimental values and demonstrates a closer agreement than those from the universal liquid drop model of size-dependent cohesive energy, which includes a shape factor of α = 2/3 for nanowires. According to the results, the melting temperature of nanoparticles drops as their size decreases. Below a diameter of 5 nm, this trend becomes more noticeable. In the nano-scale domain, the nanoparticle's shape also matters greatly. In particular, compared to tetrahedral nanoparticles, nanowires show a lesser reduction in melting temperature. Also, up to a diameter of roughly 10 nm, the melting temperatures of these nanoparticles rise with particle size. The search results show that, especially in the < 5 nm size range, the size and shape of nanoparticles significantly affect their melting point. The models accurately predict the relationship between particle size and melting point for various semiconductor nanomaterials, aligning with experimental findings. Interestingly, the information points to a potential preference for these nanomaterials to form nanowire structures in the < 5 nm size range. Our research offers helpful insights into the thermophysical properties of these semiconducting materials, which may have significant implications for their use in a diversity of technological applications.

size; shape; packing factor; cohesive energy; melting temperature; semiconductor nanoparticle

Physical Sciences, Condensed Matter Physics

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