• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

基于改性锗烯的电极材料的第一性原理密度泛函理论研究

First-Principles Density Functional Theory Study of Modified Germanene-Based Electrode Materials.

作者信息

Si Xue, She Weihan, Xu Qiang, Yang Guangmin, Li Zhuo, Wang Siqi, Luan Jingfei

机构信息

School of Physics, Changchun Normal University, Changchun 130032, China.

School of Prospecting and Surveying, Changchun Institute of Technology, Changchun 130021, China.

出版信息

Materials (Basel). 2021 Dec 23;15(1):103. doi: 10.3390/ma15010103.

DOI:10.3390/ma15010103
PMID:35009249
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8745974/
Abstract

Germanene, with a wrinkled atomic layer structure and high specific surface area, showed high potential as an electrode material for supercapacitors. According to the first-principles calculation based on Density Functional Theory, the quantum capacitance of germanene could be significantly improved by introducing doping/co-doping, vacancy defects and multilayered structures. The quantum capacitance obtained enhancement as a result of the generation of localized states near the Dirac point and/or the movement of the Fermi level induced by doping and/or defects. In addition, it was found that the quantum capacitance enhanced monotonically with the increase of the defect concentration.

摘要

具有皱折原子层结构和高比表面积的锗烯，作为超级电容器的电极材料展现出了巨大潜力。基于密度泛函理论的第一性原理计算表明，通过引入掺杂/共掺杂、空位缺陷和多层结构，可以显著提高锗烯的量子电容。由于在狄拉克点附近产生局域态和/或由掺杂和/或缺陷引起的费米能级移动，量子电容得到了增强。此外，还发现量子电容随缺陷浓度的增加而单调增强。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/2aa00ab08eb5/materials-15-00103-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/c5e19d5f07a9/materials-15-00103-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/0d6e74f71b37/materials-15-00103-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/dd31ad9f6b99/materials-15-00103-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/dab5289545e5/materials-15-00103-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/4e4220df0e7f/materials-15-00103-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/d6172bcd6abb/materials-15-00103-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/21daaf88b73e/materials-15-00103-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/c8b73f5af9ab/materials-15-00103-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/1989185a84e9/materials-15-00103-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/397678c4ff69/materials-15-00103-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/2aa00ab08eb5/materials-15-00103-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/c5e19d5f07a9/materials-15-00103-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/0d6e74f71b37/materials-15-00103-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/dd31ad9f6b99/materials-15-00103-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/dab5289545e5/materials-15-00103-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/4e4220df0e7f/materials-15-00103-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/d6172bcd6abb/materials-15-00103-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/21daaf88b73e/materials-15-00103-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/c8b73f5af9ab/materials-15-00103-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/1989185a84e9/materials-15-00103-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/397678c4ff69/materials-15-00103-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56be/8745974/2aa00ab08eb5/materials-15-00103-g011.jpg

相似文献

1
First-Principles Density Functional Theory Study of Modified Germanene-Based Electrode Materials.基于改性锗烯的电极材料的第一性原理密度泛函理论研究
Materials (Basel). 2021 Dec 23;15(1):103. doi: 10.3390/ma15010103.
2
Improving the Quantum Capacitance of Graphene-Based Supercapacitors by the Doping and Co-Doping: First-Principles Calculations.通过掺杂和共掺杂提高基于石墨烯的超级电容器的量子电容：第一性原理计算
ACS Omega. 2019 Aug 2;4(8):13209-13217. doi: 10.1021/acsomega.9b01359. eCollection 2019 Aug 20.
3
Adsorption of metal atoms on silicene: stability and quantum capacitance of silicene-based electrode materials.金属原子在硅烯上的吸附：基于硅烯的电极材料的稳定性和量子电容。
Phys Chem Chem Phys. 2019 Feb 20;21(8):4276-4285. doi: 10.1039/c8cp05982a.
4
Achieving high quantum capacitance graphdiyne through doping and adsorption.通过掺杂和吸附实现高量子电容的石墨炔。
Phys Chem Chem Phys. 2023 Jan 18;25(3):2012-2018. doi: 10.1039/d2cp03861g.
5
Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors.定制从半导体到金属的基于石墨烯的电极，以提高超级电容器的能量密度。
Nanotechnology. 2015 Nov 20;26(46):464001. doi: 10.1088/0957-4484/26/46/464001.
6
A first-principles study of gas adsorption on germanene.锗烯上气体吸附的第一性原理研究。
Phys Chem Chem Phys. 2014 Nov 7;16(41):22495-8. doi: 10.1039/c4cp03292f.
7
Density Functional Theory Calculations of the Quantum Capacitance of Graphene Oxide as a Supercapacitor Electrode.氧化石墨烯作为超级电容器电极的量子电容的密度泛函理论计算
Chemphyschem. 2018 Jul 5;19(13):1579-1583. doi: 10.1002/cphc.201800070. Epub 2018 Apr 17.
8
Structural and Electronic Properties of Germanene on MoS_{2}.二硫化钼上锗烯的结构和电子特性
Phys Rev Lett. 2016 Jun 24;116(25):256804. doi: 10.1103/PhysRevLett.116.256804. Epub 2016 Jun 21.
9
Large capacitance enhancement induced by metal-doping in graphene-based supercapacitors: a first-principles-based assessment.金属掺杂在基于石墨烯的超级电容器中引起的大容量增强：基于第一性原理的评估。
ACS Appl Mater Interfaces. 2014 Aug 13;6(15):12168-76. doi: 10.1021/am501395j. Epub 2014 Jul 18.
10
Enhanced quantum capacitance of MX(M = Fe, Co, Ni, Cu, and Zn; X = N, P) moieties embedded graphene: a DFT study.嵌入石墨烯的MX（M =铁、钴、镍、铜和锌；X =氮、磷）部分的增强量子电容：一项密度泛函理论研究。
J Phys Condens Matter. 2023 Jul 19;35(41). doi: 10.1088/1361-648X/ace578.

引用本文的文献

1
Bandgap engineering of germanene for gas sensing applications.用于气体传感应用的锗烯带隙工程。
RSC Adv. 2023 Dec 12;13(51):36144-36157. doi: 10.1039/d3ra05927h. eCollection 2023 Dec 8.
2
Effect of modulation by adsorption and doping on the quantum capacitance of borophene.吸附和掺杂调制对硼烯量子电容的影响。
RSC Adv. 2023 Sep 20;13(40):27792-27800. doi: 10.1039/d3ra05251f. eCollection 2023 Sep 18.
3
Theoretical Studies on the Quantum Capacitance of Two-Dimensional Electrode Materials for Supercapacitors.超级电容器二维电极材料量子电容的理论研究

本文引用的文献

1
Interfacial Chemical Effects of Amorphous Zinc Oxide/Graphene.非晶态氧化锌/石墨烯的界面化学效应
Materials (Basel). 2021 May 11;14(10):2481. doi: 10.3390/ma14102481.
2
Electronic and optical properties of vacancy ordered double perovskites ABX (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study.空位有序双钙钛矿ABX（A = 铷、铯；B = 锡、钯、铂；X = 氯、溴、碘）的电子和光学性质：第一性原理研究
Sci Rep. 2021 Mar 26;11(1):6965. doi: 10.1038/s41598-021-86145-x.
3
A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite RbSnTeI for solar cell applications.
Nanomaterials (Basel). 2023 Jun 25;13(13):1932. doi: 10.3390/nano13131932.
用于太阳能电池应用的卤化物双钙钛矿RbSnTeI的稳定性、电子结构和光学性质的第一性原理研究。
Phys Chem Chem Phys. 2021 Feb 28;23(8):4646-4657. doi: 10.1039/d0cp05827k. Epub 2021 Feb 15.
4
Improving the Quantum Capacitance of Graphene-Based Supercapacitors by the Doping and Co-Doping: First-Principles Calculations.通过掺杂和共掺杂提高基于石墨烯的超级电容器的量子电容：第一性原理计算
ACS Omega. 2019 Aug 2;4(8):13209-13217. doi: 10.1021/acsomega.9b01359. eCollection 2019 Aug 20.
5
Recent Progress on Germanene and Functionalized Germanene: Preparation, Characterizations, Applications, and Challenges.锗烯及功能化锗烯的研究进展：制备、表征、应用与挑战
Small. 2019 Aug;15(32):e1805147. doi: 10.1002/smll.201805147. Epub 2019 Feb 13.
6
Adsorption of metal atoms on silicene: stability and quantum capacitance of silicene-based electrode materials.金属原子在硅烯上的吸附：基于硅烯的电极材料的稳定性和量子电容。
Phys Chem Chem Phys. 2019 Feb 20;21(8):4276-4285. doi: 10.1039/c8cp05982a.
7
Dirac Signature in Germanene on Semiconducting Substrate.半导体衬底上锗烯中的狄拉克符号
Adv Sci (Weinh). 2018 May 4;5(7):1800207. doi: 10.1002/advs.201800207. eCollection 2018 Jul.
8
The Impact of Iron Adsorption on the Electronic and Photocatalytic Properties of the Zinc Oxide (0001) Surface: A First-Principles Study.铁吸附对氧化锌（0001）表面电子和光催化性能的影响：第一性原理研究
Materials (Basel). 2018 Mar 12;11(3):417. doi: 10.3390/ma11030417.
9
Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study.掺铝氧化锌单层作为一种有前景的透明电极材料：第一性原理研究
Materials (Basel). 2017 Mar 29;10(4):359. doi: 10.3390/ma10040359.
10
Atomic Layer Deposition Alumina-Passivated Silicon Nanowires: Probing the Transition from Electrochemical Double-Layer Capacitor to Electrolytic Capacitor.原子层沉积氧化铝钝化硅纳米线：从电化学双层电容器到电解电容器的转变研究。
ACS Appl Mater Interfaces. 2017 Apr 19;9(15):13761-13769. doi: 10.1021/acsami.7b01574. Epub 2017 Apr 10.