Importance of the alignment of polar π conjugated molecules inside carbon nanotubes in determining second-order non-linear optical properties
Author:
Affiliation:
1. Faculty of Materials Science and Engineering
2. Graduate School of Science and Technology
3. Kyoto Institute of Technology
4. Sakyo-ku
5. Japan
Abstract
Dispersion-corrected DFT calculations found energetically preferred alignments of certain p,p′-dimethylaminonitrostilbene (DANS) molecules inside an carbon nanotube, and their importance in determining second-order non-linear optical properties.
Funder
Japan Society for the Promotion of Science
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP03128A
Reference51 articles.
1. Molecules in Carbon Nanotubes
2. Stable and controlled amphoteric doping by encapsulation of organic molecules inside carbon nanotubes
3. Single-wall carbon nanotubes encaging linear chain C10H2 polyyne molecules inside
4. Raman Spectroscopy of Size-Selected Linear Polyyne Molecules C2nH2 (n = 4−6) Encapsulated in Single-Wall Carbon Nanotubes
5. Formation of small-diameter carbon nanotubes from PTCDA arranged inside the single-wall carbon nanotubes
Cited by 21 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. Computational Insights into the Regioselectivity of 1,3-Dipolar Cycloadditions inside Carbon Nanotubes;The Journal of Physical Chemistry C;2024-09-01
2. Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency;Journal of Molecular Graphics and Modelling;2024-07
3. Performance of Particle Swarm Optimization in Predicting the Orientation of π-Conjugated Molecules Inside Carbon Nanotubes Compared with Density Functional Theory Calculations;The Journal of Physical Chemistry A;2024-06-13
4. Advanced 1D heterostructures based on nanotube templates and molecules;Chemical Society Reviews;2024
5. Roles of Carbon Nanotube Confinement in Modulating Regioselectivity of 1,3-Dipolar Cycloadditions;The Journal of Physical Chemistry A;2023-08-12
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