scholarly journals Tuning the Performance of Aqueous Organic Redox Flow Batteries from First Principles

2020 ◽  
Author(s):  
Junting Yu ◽  
Tianshou Zhao ◽  
Ding Pan
Keyword(s):  
Energy Storage ◽  
First Principles ◽  
High Performance ◽  
Large Scale ◽  
Electrical Energy ◽  
Ab Initio Molecular Dynamics ◽  
Redox Potentials ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Entropy Effects

<div>Aqueous organic redox flow batteries have many appealing properties in the application of large-scale energy storage. The large chemical tunability of organic electrolytes shows great potential to improve the performance of flow batteries. Computational studies at the quantum-mechanics level are very useful to guide experiments, but in previous studies explicit water interactions and thermodynamic effects were ignored. Here, we applied the computational electrochemistry method based on ab initio molecular dynamics to calculate redox potentials of quinones and their derivatives. The calculated results are in excellent agreement with experimental data. We mixed side chains to tune their reduction potentials, and found that solvation interactions and entropy effects play a significant role in side-chain engineering. Based on our calculations, we proposed several high-performance negative and positive electrolytes. Our first-principles study paves the way towards the development of large-scale and sustainable electrical energy storage.</div>

scholarly journals Tuning the Performance of Aqueous Organic Redox Flow Batteries from First Principles

2020 ◽  
Author(s):  
Junting Yu ◽  
Tianshou Zhao ◽  
Ding Pan
Keyword(s):  
Energy Storage ◽  
First Principles ◽  
High Performance ◽  
Large Scale ◽  
Electrical Energy ◽  
Ab Initio Molecular Dynamics ◽  
Redox Potentials ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Entropy Effects

<div>Aqueous organic redox flow batteries have many appealing properties in the application of large-scale energy storage. The large chemical tunability of organic electrolytes shows great potential to improve the performance of flow batteries. Computational studies at the quantum-mechanics level are very useful to guide experiments, but in previous studies explicit water interactions and thermodynamic effects were ignored. Here, we applied the computational electrochemistry method based on ab initio molecular dynamics to calculate redox potentials of quinones and their derivatives. The calculated results are in excellent agreement with experimental data. We mixed side chains to tune their reduction potentials, and found that solvation interactions and entropy effects play a significant role in side-chain engineering. Based on our calculations, we proposed several high-performance negative and positive electrolytes. Our first-principles study paves the way towards the development of large-scale and sustainable electrical energy storage.</div>

scholarly journals Tuning the Performance of Aqueous Organic Redox Flow Batteries from First Principles

2020 ◽  
Author(s):  
Junting Yu ◽  
Tianshou Zhao ◽  
Ding Pan
Keyword(s):  
Energy Storage ◽  
First Principles ◽  
High Performance ◽  
Large Scale ◽  
Electrical Energy ◽  
Ab Initio Molecular Dynamics ◽  
Redox Potentials ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Entropy Effects

<div>Aqueous organic redox flow batteries have many appealing properties in the application of large-scale energy storage. The large chemical tunability of organic electrolytes shows great potential to improve the performance of flow batteries. Computational studies at the quantum-mechanics level are very useful to guide experiments, but in previous studies explicit water interactions and thermodynamic effects were ignored. Here, we applied the computational electrochemistry method based on ab initio molecular dynamics to calculate redox potentials of quinones and their derivatives. The calculated results are in excellent agreement with experimental data. We mixed side chains to tune their reduction potentials, and found that solvation interactions and entropy effects play a significant role in side-chain engineering. Based on our calculations, we proposed several high-performance negative and positive electrolytes. Our first-principles study paves the way towards the development of large-scale and sustainable electrical energy storage.</div>

scholarly journals A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage

2015 ◽  
Vol 44 (22) ◽  
pp. 7968-7996 ◽  
Author(s):  
Yu Zhao ◽  
Yu Ding ◽  
Yutao Li ◽  
Lele Peng ◽  
Hye Ryung Byon ◽  
...  
Keyword(s):  
Energy Storage ◽  
Large Scale ◽  
Storage Systems ◽  
Electrical Energy ◽  
High Density ◽  
Li Ion Batteries ◽  
Electrical Energy Storage ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Li Ion

This review summarizes the latest advances and challenges from a chemistry and material perspective on Li-redox flow batteries that combine the synergistic features of Li-ion batteries and redox flow batteries towards large-scale high-density energy storage systems.

Recent progress in zinc-based redox flow batteries: a review

2021 ◽  
Author(s):  
Guixiang Wang ◽  
Haitao Zou ◽  
Xiaobo Zhu ◽  
Mei Ding ◽  
Chuankun Jia
Keyword(s):  
High Performance ◽  
Large Scale ◽  
Electrode Materials ◽  
Low Cost ◽  
Ion Selectivity ◽  
Commercial Application ◽  
Environmental Friendliness ◽  
Membrane Materials ◽  
Redox Flow Batteries ◽  
Flow Batteries

Abstract Zinc-based redox flow batteries (ZRFBs) have been considered as ones of the most promising large-scale energy storage technologies owing to their low cost, high safety, and environmental friendliness. However, their commercial application is still hindered by a few key problems. First, the hydrogen evolution and zinc dendrite formation cause poor cycling life, of which needs to ameliorated or overcome by finding suitable anolytes. Second, the stability and energy density of catholytes are unsatisfactory due to oxidation, corrosion, and low electrolyte concentration. Meanwhile, highly catalytic electrode materials remain to be explored and the ion selectivity and cost efficiency of membrane materials demands further improvement. In this review, we summarize different types of ZRFBs according to their electrolyte environments including ZRFBs using neutral, acidic, and alkaline electrolytes, then highlight the advances of key materials including electrode and membrane materials for ZRFBs, and finally discuss the challenges and perspectives for the future development of high-performance ZRFBs.

scholarly journals Orbital-dependent redox potential regulation of quinone derivatives for electrical energy storage

RSC Advances ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 5164-5173 ◽  
Author(s):  
Zhihui Niu ◽  
Huaxi Wu ◽  
Yihua Lu ◽  
Shiyun Xiong ◽  
Xi Zhu ◽  
...  
Keyword(s):  
Energy Storage ◽  
Redox Potential ◽  
Electrical Energy ◽  
Electrical Energy Storage ◽  
Redox Flow Batteries ◽  
Flow Batteries

Various quinone derivatives are investigated to determine the suitability for application in organic redox-flow batteries.

Large scale energy storage with redox flow batteries

2013 ◽  
Vol 32 (5) ◽  
pp. 1459-1470 ◽  
Author(s):  
Piergiorgio Alotto ◽  
Massimo Guarnieri ◽  
Federico Moro ◽  
Andrea Stella
Keyword(s):  
Energy Storage ◽  
Large Scale ◽  
Redox Flow Batteries ◽  
Flow Batteries
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