scholarly journals Redox Potential Tuning of s-Tetrazine by Substitution of Electron-Withdrawing/Donating Groups for Organic Electrode Materials

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 894
Author(s):  
Dong Joo Min ◽  
Kyunam Lee ◽  
Hyunji Park ◽  
Ji Eon Kwon ◽  
Soo Young Park
Keyword(s):  
Redox Potential ◽  
Electrode Materials ◽  
Redox Potentials ◽  
Hammett Constant ◽  
Heterogeneous Electron Transfer ◽  
Organic Electrode ◽  
Conventional Electrode ◽  
Li Ion ◽  
Cv Measurements ◽  
Redox Potential Tuning

Herein, we tune the redox potential of 3,6-diphenyl-1,2,4,5-tetrazine (DPT) by introducing various electron-donating/withdrawing groups (methoxy, t-butyl, H, F, and trifluoromethyl) into its two peripheral benzene rings for use as electrode material in a Li-ion cell. By both the theoretical DFT calculations and the practical cyclic voltammetry (CV) measurements, it is shown that the redox potentials (E1/2) of the 1,2,4,5-tetrazines (s-tetrazines) have a strong correlation with the Hammett constant of the substituents. In Li-ion coin cells, the discharge voltages of the s-tetrazine electrodes are successfully tuned depending on the electron-donating/withdrawing capabilities of the substituents. Furthermore, it is found that the heterogeneous electron transfer rate (k0) of the s-tetrazine molecules and Li-ion diffusivity (DLi) in the s-tetrazine electrodes are much faster than conventional electrode active materials.

Organic electrode materials for non-aqueous, aqueous, and all-solid-state Na-ion batteries

2021 ◽  
Author(s):  
Kathryn Holguin ◽  
Motahareh Mohammadiroudbari ◽  
Kaiqiang Qin ◽  
Chao Luo
Keyword(s):  
Solid State ◽  
High Performance ◽  
Electrode Materials ◽  
Low Cost ◽  
Li Ion Batteries ◽  
Organic Electrode ◽  
Li Ion

Na-ion batteries (NIBs) are promising alternatives to Li-ion batteries (LIBs) due to the low cost, abundance, and high sustainability of sodium resources. However, the high performance of inorganic electrode materials...

Design of new electrode materials for Li-ion and Na-ion batteries from the bloedite mineral Na2Mg(SO4)2·4H2O

2014 ◽  
Vol 2 (8) ◽  
pp. 2671-2680 ◽  
Author(s):  
Marine Reynaud ◽  
Gwenaëlle Rousse ◽  
Artem M. Abakumov ◽  
Moulay T. Sougrati ◽  
Gustaaf Van Tendeloo ◽  
...  
Keyword(s):  
Electrode Materials ◽  
Redox Potentials ◽  
Li Ion

Starting from the bloedite mineral, we prepared two new electrode materials, Na2Fe(SO4)2·4H2O and Na2Fe(SO4)2, which present high redox potentials of 3.6 V vs. lithium and 3.3–3.4 V vs. sodium.

Redox potential tuning in bio-relevant heterocycles via (anti)aromaticity modulated H-bonding (AMHB)

2020 ◽  
Vol 98 (7) ◽  
pp. 337-346
Author(s):  
Tayeb Kakeshpour ◽  
Adam Van Wiemeersch ◽  
James E. Jackson
Keyword(s):  
Redox Potential ◽  
Rational Design ◽  
Bond Formation ◽  
Complex Structures ◽  
Redox Potentials ◽  
Biologically Relevant ◽  
Connectivity Patterns ◽  
Non Covalent Interactions ◽  
Redox Potential Tuning ◽  
Covalent Interactions

Hydrogen bonds are arguably the most important non-covalent interactions in chemistry and biology, and their strength and directionality have been elegantly exploited in the rational design of complex structures. We recently noted that the variable responses of cyclic π-systems upon H-bond formation reciprocally lead to modulations of the H-bonds’ strengths, a phenomenon that we dubbed (anti)aromaticity-modulated hydrogen bonding (AMHB) [J. Am. Chem. Soc. 2016, 138, 3427–3432]. Species that switch from aromatic to antiaromatic or vice versa upon changing π-electron counts should be oppositely stabilized by the AMHB effects, so their redox potentials should be significantly “tuned” by H-bond formation. Herein, using quantum chemical simulations, we explore the effects of these H-bond induced π-electron polarizations on the redox potentials of (anti)aromatic heterocycles. The systems chosen for this study have embedded amide groups and amidine moieties capable of forming two-point H-bonds in their cyclic π-systems. Thus, as the 4-electron and 6-electron π-systems in redox-capable monocycles (e.g., quinones) can be differentially stabilized, their redox potentials can be modulated by H-bond formation by as much as 6 kcal/mol (258 mV for one electron transfer). In fused rings, the connectivity patterns are as important as the π-electron counts. Extending these ideas to flavin, a biologically relevant case, we find that H-bonding patterns like those found in its crystals can vary its redox potential by up to 1.3 kcal/mol.

scholarly journals Organic Electrode Materials for Non-aqueous K-Ion Batteries

2020 ◽  
Author(s):  
Mingtan Wang ◽  
Wenjing Lu ◽  
Huamin Zhang ◽  
Xianfeng Li
Keyword(s):  
Performance Improvement ◽  
High Performance ◽  
Electrode Materials ◽  
Low Cost ◽  
Superior Performance ◽  
Large Radius ◽  
Li Ion Batteries ◽  
Organic Electrode ◽  
Structure Flexibility ◽  
Li Ion

Abstract The demands for high-performance and low-cost batteries make K-ion batteries (KIBs) considered as promising supplements or alternatives for Li-ion batteries (LIBs). Nevertheless, there are only a small amount of conventional inorganic electrode materials that can be used in KIBs, due to the large radius of K+ ions. Differently, organic electrode materials (OEMs) generally own sufficiently interstitial space and good structure flexibility, which can maintain superior performance in K-ion systems. Therefore, in recent years, more and more investigations have been focused on OEMs for KIBs. This review will comprehensively cover the researches on OEMs in KIBs in order to accelerate the research and development of KIBs. The reaction mechanism, electrochemical behavior, etc., of OEMs will all be summarized in detail and deeply. Emphasis is placed to overview the performance improvement strategies of OEMs and the characteristic superiority of OEMs in KIBs compared with LIBs and Na-ion batteries.

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