A review on the use of DFT for the prediction of the properties of nanomaterials
Author:
Affiliation:
1. Nano-materials Lab, Department of Chemistry, Birla Institute of Technology and Science, Pilani K K Birla Goa Campus, Goa, 403726, India
Abstract
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA04876G
Reference195 articles.
1. F. T.Rabouw and C.de Mello Donega , Handbook of Photoactive Semiconductor Nanocrystal Quantum Dots , Springer , 2017 , pp. 1–30
2. Modeling nanomaterial physical properties: theory and simulation
3. Enhancing Technological Applications through Density Functional Theory Modeling of Nanomaterials
4. DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review
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