Version 1
: Received: 23 August 2024 / Approved: 23 August 2024 / Online: 26 August 2024 (06:54:19 CEST)
How to cite:
Sherka, G.; Berry, H.; Zhang, Q. Unified Model for Predicting the Size and Shape Dependent Cohesive Energy and Melting Temperature of Semiconducting Nanomaterials. Preprints2024, 2024081795. https://doi.org/10.20944/preprints202408.1795.v1
Sherka, G.; Berry, H.; Zhang, Q. Unified Model for Predicting the Size and Shape Dependent Cohesive Energy and Melting Temperature of Semiconducting Nanomaterials. Preprints 2024, 2024081795. https://doi.org/10.20944/preprints202408.1795.v1
Sherka, G.; Berry, H.; Zhang, Q. Unified Model for Predicting the Size and Shape Dependent Cohesive Energy and Melting Temperature of Semiconducting Nanomaterials. Preprints2024, 2024081795. https://doi.org/10.20944/preprints202408.1795.v1
APA Style
Sherka, G., Berry, H., & Zhang, Q. (2024). Unified Model for Predicting the Size and Shape Dependent Cohesive Energy and Melting Temperature of Semiconducting Nanomaterials. Preprints. https://doi.org/10.20944/preprints202408.1795.v1
Chicago/Turabian Style
Sherka, G., Habte Berry and Qinfang Zhang. 2024 "Unified Model for Predicting the Size and Shape Dependent Cohesive Energy and Melting Temperature of Semiconducting Nanomaterials" Preprints. https://doi.org/10.20944/preprints202408.1795.v1
Abstract
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 and 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 than 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 indicates 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.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
