shape parameter
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Impact of Shape, Size and Crystal Structure on Vacancy Related Properties of Gold Nanoparticles
Abstract: It is necessary to consider defects to explain the electron movement, thermal transport and mechanical properties of materials. In the present study, a simple quantitative model for cohesive energy of nanoparticles is extended to determine the size, shape and crystal structure effect on vacancy formation energy, vacancy entropy, and vibrational frequency in free surface Au nanoparticles. Vacancy entropy variation with size has been studied for spherical, regular octahedral, regular hexahedral …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 223–229 Read article