Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots最新文献

筛选
英文 中文
Computational Chemistry for Colloidal Semiconductor Nanocrystals 胶体半导体纳米晶体的计算化学
Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots Pub Date : 2021-04-30 DOI: 10.29363/NANOGE.QDSSCHOOL.2021.013
I. Infante
{"title":"Computational Chemistry for Colloidal Semiconductor Nanocrystals","authors":"I. Infante","doi":"10.29363/NANOGE.QDSSCHOOL.2021.013","DOIUrl":"https://doi.org/10.29363/NANOGE.QDSSCHOOL.2021.013","url":null,"abstract":": While experimental protocols aimed at the synthesis and characterization of colloidal semiconductor nanocrystals are now well established, theoretical calculations of the same materials still present many challenges. Some of these are: (1) the compromise in the size of the modelled systems, which have to be large enough to avoid too strong quantum confinement effects but small enough to be described computationally; (2) the construction of a nanocrystal model system that represent closely that found in the experiment, and (3) the possibility of adding surface ligands that increase dramatically the computational requirements. A successful methodology to tackle some of the above issues is Density Functional Theory (DFT), which scales cubically with the number of atoms, but that in recent years was capable to provide important insights in the electronic structure and geometry of several colloidal nanocrystals of up to 3nm in size. However, a strong limitation of DFT is the high computational cost, which prevent on the one hand the inclusion of solvent and ligand molecules as in the experiments and on the other, performing long timescale simulations to study rare events like ligand binding at the surface, trap formation rates and phonon induced non-radiative quenching. To address these chemico-physical processes, the field moved to computationally cheaper alternatives such as those based on classical force fields. These methods however have also important drawbacks, such as the development of accurate force-field parameters and more importantly the lack of information on the electronic structure of the material studied. In this framework, novel machine-learning techniques are poised to bridge the gap between DFT and classical force fields to enable DFT quality simulations on colloidal nanocrystals also for long timescale events. In this talk I will therefore discuss the most important achievements obtained in the semiconductor nanocrystal field by theoretical methodologies and an outlook of future developments.","PeriodicalId":114785,"journal":{"name":"Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130140343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In-situ Fabricated Perovskite Quantum Dots:From Synthesis to Applications 原位制备钙钛矿量子点:从合成到应用
Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots Pub Date : 2021-04-30 DOI: 10.29363/NANOGE.QDSSCHOOL.2021.009
Haizheng Zhong
{"title":"In-situ Fabricated Perovskite Quantum Dots:From Synthesis to Applications","authors":"Haizheng Zhong","doi":"10.29363/NANOGE.QDSSCHOOL.2021.009","DOIUrl":"https://doi.org/10.29363/NANOGE.QDSSCHOOL.2021.009","url":null,"abstract":"","PeriodicalId":114785,"journal":{"name":"Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots","volume":"148 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116527396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Prospects and Challenges of Colloidal Quantum Dot Laser Diodes 胶体量子点激光二极管的前景与挑战
Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots Pub Date : 1900-01-01 DOI: 10.29363/nanoge.qdsschool.2021.006
Victor I. Klimov
{"title":"Prospects and Challenges of Colloidal Quantum Dot Laser Diodes","authors":"Victor I. Klimov","doi":"10.29363/nanoge.qdsschool.2021.006","DOIUrl":"https://doi.org/10.29363/nanoge.qdsschool.2021.006","url":null,"abstract":"","PeriodicalId":114785,"journal":{"name":"Proceedings of the Online school on Fundamentals of Semiconductive Quantum Dots","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129133477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信