Materials Informatics: Experiment‐Oriented Materials Informatics for Efficient Exploration of Design Strategy and New Compounds for High‐Performance Organic Anode (Adv. Theory Simul. 10/2019)

Numazawa, Hiromichi; Igarashi, Yasuhiko; Sato, Kosuke; Imai, Hiroaki; Oaki, Yuya

doi:10.1002/adts.201970035

Cited by 2 publications

(2 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Nitro was employed previously as an electron‐withdrawing substituting group to modify electrochemical properties of organic electrode materials. [ 8,43,44 ] It was found electrochemically active with the ability to accept two electrons each group to form a dianion. [ 8,45,46 ] However, the nitro group in several aromatic compounds was revealed to undergo an irreversible electrochemical reduction in the first discharge, rendering redox‐reversible azo groups responsible for subsequent redox reactions.…”

Section: Introductionmentioning

confidence: 99%

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries

Liu

2020

Advanced Energy Materials

View full text Add to dashboard Cite

Cathode materials are vital to the performance of alkali-ion batteries. Inorganic transitional metal oxides with insertion chemistry, such as LiCoO 2 , LiFePO 4 , and LiNi x Co y Mn 1−x−y O 2 , have been the predominant cathode materials in conventional LIBs. Constructed with heavy metallic elements, conventional inorganic cathode materials typically have restricted specific energy capacity (theoretical: <300 mAh g −1) with little room for further improvements. [1,2] Meanwhile, their applicability in SIBs and KIBs is often hindered due to kinetic and stability issues, where their rigid lattice structures can restrict diffusion/storage of Na + and K + ions of larger sizes than Li +. [7] In addition, produced from minerals with limited availabilities, the use of inorganic cathode materials is neither sustainable nor environmentally benign. In this regard, organic cathode materials have recently attracted increasing attention. Relative to conventional inorganic cathode materials, they show distinct advantages, including higher theoretical capacity due to their construction from abundant light elements, structural diversity with tunable electrochemical properties, rational synthesis from sustainable stocks and low costs. In addition, their less-rigid structures are beneficial for the storage and mobility of larger-sized Na + and K + ions. [8,9] With organic materials, energy storage is achieved through the reversible reaction of alkali ions with their redox-active functional groups. To date, a large family of organic cathode materials incorporating various redox-active functional groups have been developed, which have been well summarized in several recent comprehensive reviews. [10-16] The predominant redoxactive functional groups reported thus far include carbonyl (CO) functionalities, [8,9,17-25] imine (CN) functionalities, [26-29] disulfides (SS), [30-33] radicals, [34-39] and azo (NN), [40-42] with the first two types most heavily focused on. Despite the significant progress, the majority of organic cathode materials developed to date, however, still has restricted specific capacity (generally <300 mAh g −1), energy density (<750 Wh kg −1 for LIBs), and/or cycle life. [10-16] It is thus imperative to explore and discover new redox functionalities that render higher-energy multielectron organic cathode materials with high cyclic stability. We report in this work a new group of nitroaromatic compounds, para-, ortho-, and meta-dinitrobenzene (p-, o-, and m-DNB, respectively) containing dual two-electron accepting nitro groups, as reversible high-energy multielectron organic cathode Organic cathode materials with existing redox functionalities are attracting increasing attention for rechargeable alkali-ion batteries due to their high theoretical gravimetric capacity, molecular diversity, and sustainability. However, they are still restricted in specific capacity and energy density. The discovery of new multielectron redox-active functionalities that can impart significantly enhanced capacity and energy density i...

show abstract

Section: Introductionmentioning

confidence: 99%

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries

Liu

2020

Advanced Energy Materials

View full text Add to dashboard Cite

show abstract

“…1.5 V), [11] viologen (2 V), [12] anthraquinone (2 V), [13,14] phenazine (3.2 V), [15] triphenylamine (3.4 V), [16] phenothiazine (3.55 V), [17,18] and 2,2,6,6 tetramethylpiperidin‐1‐oxyl (TEMPO, 3.6 V) [1,7,19] have been studied extensively. The emerging concept of superlithiation would extend the limit down to 0 V vs. Li/Li + [20,21] . On the other hand, increasing the potential by organic redox centers has not been fully successful, although reversible redox reactions of transition metals (e. g., Co, Ni, V, …) in inorganic metal oxides can offer over 4–5 V‐class electrodes.…”

Section: Introductionmentioning

confidence: 99%

Quadruply Fused Aromatic Heterocycles toward 4 V‐Class Robust Organic Cathode‐Active Materials

Hatakeyama‐Sato

Akahane

et al. 2022

Batteries & Supercaps

View full text Add to dashboard Cite

Quadruply fused aromatic heterocycles are examined as 4 V‐class organic cathode‐active materials. A newly synthesized dimethylfluoflavin‐substituted polymer displays reversible charge/discharge at high potentials of 3.5 and 4.1 V (vs. Li/Li+) as a cathode‐active material for organic secondary batteries. The robust redox‐active heterocycles enable the long cycle‐life (>1000) while maintaining the high potential over 4 V. The linear polymer backbone and radical spin configuration in the heterocycles are the keys to enhancing the voltages and the cycle life.

show abstract

Materials Informatics: Experiment‐Oriented Materials Informatics for Efficient Exploration of Design Strategy and New Compounds for High‐Performance Organic Anode (Adv. Theory Simul. 10/2019)

Cited by 2 publications

References 0 publications

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries

Quadruply Fused Aromatic Heterocycles toward 4 V‐Class Robust Organic Cathode‐Active Materials

Contact Info

Product

Resources

About

Materials Informatics: Experiment‐Oriented Materials Informatics for Efficient Exploration of Design Strategy and New Compounds for High‐Performance Organic Anode (Adv. Theory Simul. 10/2019)

Cited by 2 publications

References 0 publications

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li+, Na+, and K+) Batteries

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li+, Na+, and K+) Batteries

Quadruply Fused Aromatic Heterocycles toward 4 V‐Class Robust Organic Cathode‐Active Materials

Contact Info

Product

Resources

About

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries

Nitroaromatics as High‐Energy Organic Cathode Materials for Rechargeable Alkali‐Ion (Li⁺, Na⁺, and K⁺) Batteries