Assessing the electrochemical properties of polypyridine and polythiophene for prospective applications in sustainable organic batteries
作者： Rafael B. Araujo , Amitava Banerjee , Puspamitra Panigrahi , Li Yang , Martin Sjödin
DOI: 10.1039/C6CP07435A
关键词:
摘要: Conducting polymers are being considered promising candidates for sustainable organic batteries mainly due to their fast electron transport properties and high recyclability. In this work, the key of polythiophene polypyridine have been assessed through a combined theoretical experimental study focusing on such applications. A protocol has developed calculate redox potentials in solution within framework density functional theory using continuous solvation models. Here, evolution electrochemical solvated oligomers as function length chain is analyzed then polymer estimated via linear regressions ordinary least square. The predicted values were verified against our experiments. This can now be employed screen large database compounds order identify electrodes with superior properties.
rsc.org
elsevier.com
harvard.edu
sci-hub.se 参考文章(30)
Li Yang, Xiao Huang, Adolf Gogoll, Maria Strømme, Martin Sjödin, Matching Diethyl Terephthalate with n-Doped Conducting Polymers Journal of Physical Chemistry C. ,vol. 119, pp. 18956- 18963 ,(2015) , 10.1021/ACS.JPCC.5B05067
Dihua Wu, Zhaojun Xie, Zhen Zhou, Panwen Shen, Zhongfang Chen, Designing high-voltage carbonyl-containing polycyclic aromatic hydrocarbon cathode materials for Li-ion batteries guided by Clar's theory Journal of Materials Chemistry. ,vol. 3, pp. 19137- 19143 ,(2015) , 10.1039/C5TA05437K
Sanjio S. Zade, Natalia Zamoshchik, Michael Bendikov, From short conjugated oligomers to conjugated polymers. Lessons from studies on long conjugated oligomers. Accounts of Chemical Research. ,vol. 44, pp. 14- 24 ,(2011) , 10.1021/AR1000555
K. Kaneto, Y. Kohno, K. Yoshino, Absorption spectra induced by photoexcitation and electrochemical doping in polythiophene Solid State Communications. ,vol. 51, pp. 267- 269 ,(1984) , 10.1016/0038-1098(84)90684-7
Gustav Nyström, Aamir Razaq, Maria Strømme, Leif Nyholm, Albert Mihranyan, Ultrafast All-Polymer Paper-Based Batteries Nano Letters. ,vol. 9, pp. 3635- 3639 ,(2009) , 10.1021/NL901852H
J. Gierschner, J. Cornil, H.-J. Egelhaaf, Optical Bandgaps of π‐Conjugated Organic Materials at the Polymer Limit: Experiment and Theory Advanced Materials. ,vol. 19, pp. 173- 191 ,(2007) , 10.1002/ADMA.200600277
Takakazu Yamamoto, Tsukasa Maruyama, Zhen-Hua Zhou, Takayori Ito, Takashi Fukuda, Yutaka Yoneda, Farida Begum, Tomiki Ikeda, Shintaro Sasaki, None, .pi.-Conjugated Poly(pyridine-2,5-diyl), Poly(2,2'-bipyridine-5,5'-diyl), and Their Alkyl Derivatives. Preparation, Linear Structure, Function as a Ligand to Form Their Transition Metal Complexes, Catalytic Reactions, n-Type Electrically Conducting Properties, Optical Properties, and Alignment on Substrates Journal of the American Chemical Society. ,vol. 116, pp. 4832- 4845 ,(1994) , 10.1021/JA00090A031
M. Armand, J.-M. Tarascon, Building better batteries Nature. ,vol. 451, pp. 652- 657 ,(2008) , 10.1038/451652A
Sanjio S. Zade, Michael Bendikov, From Oligomers to Polymer: Convergence in the HOMO−LUMO Gaps of Conjugated Oligomers Organic Letters. ,vol. 8, pp. 5243- 5246 ,(2006) , 10.1021/OL062030Y
Li Yang, Viorica-Alina Mihali, Daniel Brandell, Maria Strømme, Martin Sjödin, Conjugated Pyridine-Based Polymers Characterized as Conductivity Carrying Components in Anode Materials Journal of Physical Chemistry C. ,vol. 118, pp. 25956- 25963 ,(2014) , 10.1021/JP509606C