2 publications
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Published Open access Original Research Special issue
Impact of Shape, Size and Crystal Structure on Vacancy Related Properties of Gold NanoparticlesBy Monika Goyal
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 →
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Published Open access Original Research Special issue
Analysis of Size and Shape Dependence of Thermophysical Properties of NanomaterialsBy Komal, Pooja Chaturvedi, Monika Goyal
Abstract: A simple qualitative model, named Qi model which is further extended to Bond energy model has been expressed in terms of melting temperature to explain the shape and size effect on Debye temperature ( ) and Einstein temperature ( ) of nanomaterials. It is known that properties of materials drastically change with size reduction to nanorange and increase in the number of surface atoms with respect to volume of the …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 258–264 Read article →