A review on the use of DFT for the prediction of the properties of nanomaterials

Priyanka Makkar; Narendra Nath Ghosh

doi:10.1039/d1ra04876g

journal article Open Access Jan 01, 2021

A review on the use of DFT for the prediction of the properties of nanomaterials

Priyanka Makkar Narendra Nath Ghosh

RSC Advances Vol. 11 No. 45 pp. 27897-27924 · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d1ra04876g

Abstract

Depiction of unusual properties of nanomaterials through DFT studies.

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Details

Published: Jan 01, 2021
Vol/Issue: 11(45)
Pages: 27897-27924
License: View

Authors

P

Priyanka Makkar

Nano-materials Lab, Department of Chemistry, Birla Institute of Technology and Science, Pilani K K Birla Goa Campus, Goa, 403726, India

N

Narendra Nath Ghosh

Nano-materials Lab, Department of Chemistry, Birla Institute of Technology and Science, Pilani K K Birla Goa Campus, Goa, 403726, India

Cite This Article

Priyanka Makkar, Narendra Nath Ghosh (2021). A review on the use of DFT for the prediction of the properties of nanomaterials. RSC Advances, 11(45), 27897-27924. https://doi.org/10.1039/d1ra04876g

A review on the use of DFT for the prediction of the properties of nanomaterials

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