Insights into the modulation mechanisms of multiple active sites in a conjugated small molecule towards organic cathode capacity from first-principles

Author:

Sun Zhaopeng1ORCID,Tian Hao1,Zhang Meng1,Zhang Yi1,Li Zhiping1,Huang Weiwei12ORCID

Affiliation:

1. Hebei Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004, Hebei, China

2. Hebei Key Laboratory of Dielectric and Electrolyte Functional Material, Northeastern University at Qinhuangdao, Qinhuangdao 066004, Hebei, China

Abstract

The modulation mechanisms of Na+ within the redox-active sites of the two-dimensional conjugated organic small-molecule 3BQ, and their impact on the initial capacity of a 3BQ cathode for Na-ion batteries, were investigated using first-principles calculations.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

同舟云学术

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