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
Cited by 95 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Highly efficient hole transporting pyrimidine-based dyes for photovoltaic applications: A DFT/TD-DFT study;Journal of Physics and Chemistry of Solids;2024-12
2. A comprehensive review on the synthesis of ferrite nanomaterials via bottom-up and top-down approaches advantages, disadvantages, characterizations and computational insights;Coordination Chemistry Reviews;2024-12
3. Exploring smart drug delivery platforms through the adsorption of chlormethine anticancer by an iron-enhanced metallofullerene;Journal of the Indian Chemical Society;2024-10
4. Density function theory investigation of bimetallic phthalocyanine as a potential sensor and scavenger for nitrogen-containing toxic gases;Journal of Environmental Chemical Engineering;2024-10
5. Accurate and efficient prediction of optical gaps in silicon and germanium nanoparticles using a high-local-exchange density functional;Chemical Physics Letters;2024-09
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3