Boosting thermoelectric performance of conjugated polymers via interchain molecular docking: Significance of highly crystalline and percolated morphology

Lee, Hansol; Lee, Su Bin; Kim, Young-Shin; Kim, Hoimin; Kim, Minjae; Yoon, Tae Woong; Lee, Dongki; Cho, Jeong Ho; Kim, Yun‐Hi; Kang, Boseok

doi:10.1016/j.cej.2023.143654

Cited by 11 publications

(2 citation statements)

References 56 publications

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“…As shown in Figure 3a, the Li(1) and Li(2) 2 N planes are separated. Li + ion migration is driven by intrinsic defects, an inherent property of Li 3 N crystals that allows Li + ions to move from occupied to unoccupied sites (defect-driven magnetism in bulk α-Li 3 N) [68]. Intrinsic defects are represented by 'V' in Figure 3b.…”

Section: + Ion Migration Mechanism Of N Compounds In Solid Electrolyt...mentioning

confidence: 99%

Behavior of NO3−-Based Electrolyte Additive in Lithium Metal Batteries

Kim,

Yoon,

Chae

2024

Batteries

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While lithium metal is highly desired as a next-generation battery material due to its theoretically highest capacity and lowest electrode potential, its practical application has been impeded by stability issues such as dendrite formation and short cycle life. Ongoing research aims to enhance the stability of lithium metal batteries for commercialization. Among the studies, research on N-based electrolyte additives, which can stabilize the solid electrolyte interface (SEI) layer and provide stability to the lithium metal surface, holds great promise. The NO3− anion in the N-based electrolyte additive causes the SEI layer on the lithium metal surface to contain compounds such as Li3N and Li2O, which not only facilitates the conduction of Li+ ions in the SEI layer but also increases its mechanical strength. However, due to challenges with the solubility of N-based electrolyte additives in carbonate-based electrolytes, extensive research has been conducted on electrolytes based on ethers. Nonetheless, the low oxidative stability of ether-based electrolytes hinders their practical application. Hence, a strategy is needed to incorporate N-based electrolyte additives into carbonate-based electrolytes. In this review, we address the challenges of lithium metal batteries and propose practical approaches for the application and development of N-based electrolyte additives.

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Section: + Ion Migration Mechanism Of N Compounds In Solid Electrolyt...mentioning

confidence: 99%

Behavior of NO3−-Based Electrolyte Additive in Lithium Metal Batteries

Kim,

Yoon,

Chae

2024

Batteries

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“…9,10 Moreover, using symmetrically substituted monomers to form polymers with regiosymmetric repeat units minimizes chain defects and promotes longer-range ordering. 11–14 For instance, poly(1,4-bis(2-thienyl)phenylene) (TPT) with symmetrical bis-dodecyloxy side-chains (–OC 12 H 25 , –OC 12 H 25 ) is highly crystalline, whereas the asymmetric homolog with unsymmetrical substituent placement (–OCH 3 , –OC 12 H 25 ) has an amorphous solid-state morphology. 12 In addition to structures similar to poly(1,4-bis(2-thienyl)phenylene), 15,16 regiosymmetry in dioxythiophene-based and other high-mobility conjugated polymers is also shown to promote ordered chain packing.…”

Section: Introductionmentioning

confidence: 99%

Non-covalent planarizing interactions yield highly ordered and thermotropic liquid crystalline conjugated polymers

Sabury,

Xu,

Saiev

et al. 2024

Mater. Horiz.

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Great Enhancement in the Seebeck Coefficient of PEDOT:PSS by Polaron Level Splitting via π–π Overlapping with Nonpolar Small Aromatic Molecules

Li,

Shan,

Luo

et al. 2023

Adv Funct Materials

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Organic thermoelectric (TE) materials are regarded as the next‐generation TE materials because of their merits including low cost, high mechanical flexibility, and low intrinsic thermal conductivity. However, their Seebeck coefficient is usually quite low. Herein, a new strategy is demonstrated to greatly enhance the Seebeck coefficient of poly(3,4‐ethylenedioxy‐thiophene):poly(styrenesulfonate) (PEDOT:PSS), which is the most popular TE polymer, through polaron level splitting via π–π overlapping with nonpolar small aromatic molecules including anthracene, naphthalene, and pyrene. Although these aromatic molecules are neither oxidizing nor reducing agent, they can greatly enhance the Seebeck coefficient of PEDOT:PSS films pre‐treated with dimethyl sulfoxide, acid, or acid then base, while they do not lower the electrical conductivity too much. Through such a treatment with anthracene, the Seebeck coefficient can be up to 45.5 µV K−1, and the ZT value can be up to 0.27. The enhancement is ascribed to the splitting of the lower polaron energy level of PEDOT, which is induced by the π–π overlapping between the aromatic compounds and conjugated PEDOT. This can shift up the Fermi level, thereby enhancing the Seebeck coefficient.

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Boosting thermoelectric performance of conjugated polymers via interchain molecular docking: Significance of highly crystalline and percolated morphology

Cited by 11 publications

References 56 publications

Behavior of NO3−-Based Electrolyte Additive in Lithium Metal Batteries

Behavior of NO3−-Based Electrolyte Additive in Lithium Metal Batteries

Non-covalent planarizing interactions yield highly ordered and thermotropic liquid crystalline conjugated polymers

Great Enhancement in the Seebeck Coefficient of PEDOT:PSS by Polaron Level Splitting via π–π Overlapping with Nonpolar Small Aromatic Molecules

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