Synergistic Effect of F,Si-Co-Doping on Anodic Performance of Ctf0 for Li-Ion Batteries: A Dft-Based Modeling DOI
Aigul Shamsieva, Sadegh Kaviani,

Irina Piyanzina

и другие.

Опубликована: Янв. 1, 2024

Li-ion batteries (LIBs) are considered extremely promising for electrical energy storage systems. However, there certain challenges in choosing anode materials with higher conductivity and longer cycle life practical applications. In this work, a novel two-dimensional (2D) porous monolayer, namely F,Si-co-doped covalent triazine framework (F,Si@CTF0), was designed using density functional theory (DFT) calculations. The results demonstrated that the co-doping of F Si atoms on CTF0 surface creates more accessible adsorption sites adsorption. analysis confirmed stability F,Si@CTF0 which exhibits notable (-3.53 eV) at site A (between atoms). monolayer can potentially accommodate five Li-ions, providing high theoretical specific capacity 462 mAh g-1 (comparable to graphite commonly employed commercial LIBs) positive redox potential 2.9 V. transforms from being semiconducting metallic, reflecting electronic conductivity. Moreover, undergoes minor lattice variations (-1.3%) throughout lithiation/delithiation process, demonstrating excellent cycling performance. Finally, diffuses rapidly small diffusion barrier 0.078 eV. These highlight use as material next-generation LIBs.

Язык: Английский

Arylamine‐Linked Porous Organic Polymers with Abundant Redox‐Active Sites as High‐Capacity and High‐Rate Organic Cathodes for Lithium‐Ion Batteries DOI Open Access

Qiaoshuang Bai,

Junlong Huang,

Kehan Tang

и другие.

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Фев. 21, 2025

Abstract Redox‐active porous organic polymers (POPs) have emerged as promising and sustainable cathode materials (OCMs) for lithium‐ion batteries (LIBs). However, their performance is significantly limited by insufficient redox‐active sites low intrinsic conductivity. Herein, a series of novel arylamine‐linked bipolar POPs (denoted HATN‐AQ, HATN‐BQ, HATN‐CBD, HATN‐PTO) are designed prepared OCMs LIBs. Benefiting from high density sites, feature, arylamine linkage, these exhibited capacity, rate, excellent long‐term cycling stability. Among them, HATN‐PTO displayed an ultrahigh reversible capacity 329.6 mAh g −1 at 0.2 A with energy 716.7 Wh kg , outstanding rate (208.7 20 ), superior stability (188.9 retained after 500 cycles 1 ). Furthermore, the HATN‐PTO//graphite full battery specific 227.3 maintained 99.1 200 0.5 . Ex situ FT‐IR XPS spectra combined theoretical calculations employed to elucidate dual‐ion storage mechanism. This work provides effective strategy designing high‐capacity high‐rate OCMs.

Язык: Английский

Процитировано

3

Recent advances in conjugated ladder-type porous polymer networks for rechargeable batteries DOI Open Access
Chunyang Zhao, Jie Yan, Zhaowu Ma

и другие.

Chemical Synthesis, Год журнала: 2025, Номер 5(2)

Опубликована: Март 10, 2025

Owing to the abundant resources, environmental benignity, structural designability, and reasonable theoretical capacity, organic electrode compounds are considered be an excellent substitute for traditional inorganic materials, which can applied in green sustainable recharge batteries. Consequently, materials have received considerable attention over past decade, numerous polymeric been prepared as high-efficiency Among them, conjugated ladder-type porous polymer networks (PPNs) with intralayer π-conjugation, interlayer π-π stacking interactions, rigid backbones emerged attractive platforms rechargeable This review summarizes linkage chemistry, synthesis methods, typical structure of ladder PPNs, redox activity linkage, their applications secondary Further, approaches enhance performance efficiency these presented. The potential battery PPNs also discussed.

Язык: Английский

Процитировано

1

Benzoxazine-linked polyhedral oligomeric silsesquioxane: 3D porous organic-inorganic polymer for improved CO2 capture and supercapacitor performance DOI
Mohsin Ejaz,

Mohamed Gamal Mohamed,

Shiao‐Wei Kuo

и другие.

Journal of the Taiwan Institute of Chemical Engineers, Год журнала: 2025, Номер unknown, С. 106098 - 106098

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

1

Porous carbon derived from covalent organic frameworks and relevant porous polymers: Preparation and application in adsorption and catalysis DOI
Imteaz Ahmed, Hye Jin Lee, Sung Hwa Jhung

и другие.

Chemical Engineering Journal, Год журнала: 2024, Номер unknown, С. 156148 - 156148

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

8

Enhanced anodic performance of CTF0 monolayer for Li-ion batteries through F and Si co-doping: A DFT insight DOI
Sadegh Kaviani, Aigul Shamsieva,

Irina Piyanzina

и другие.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер 705, С. 135752 - 135752

Опубликована: Ноя. 12, 2024

Язык: Английский

Процитировано

6

Lithiophilic Dibenzamide Linkages to Impart Lithium Storage Capacity in Porous Polybenzamides DOI
Shayan Karak,

Himanshi Singh,

Arup Biswas

и другие.

Journal of the American Chemical Society, Год журнала: 2024, Номер 146(29), С. 20183 - 20192

Опубликована: Июль 13, 2024

Polymer-based organic cathode materials have shown immense promise for lithium storage, owing to their structural diversity and functional group tunability. However, designing appropriate high-performance with a high-rate capability long cycle life remains significant challenge. It is quintessential design polymer-based electrodes lithiophilic linkages. Herein, we bifurcated dibenzamide (DBA) linkage having functionalities.

Язык: Английский

Процитировано

4

Rational Design Strategy for the Synthesis of Hyper-Cross-Linked Polymers Using Dipolar π-Systems and Proton Sorption Induced Pseudocapacitance DOI

Soujanya H. Goudar,

Ranjan K. Dash, Deepu J. Babu

и другие.

ACS Applied Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 20, 2025

Язык: Английский

Процитировано

0

Templating Method for Preparing Functionalized Polymers of Intrinsic Microporosity with Versatile Potential DOI

Chang Yang,

Hua Wang, Haojie Chen

и другие.

ACS Applied Polymer Materials, Год журнала: 2025, Номер unknown

Опубликована: Май 4, 2025

Язык: Английский

Процитировано

0

Present and Future of Monovalent All-organic Batteries DOI

Kyungsoo Shin,

Guozhong Cao, Xiaolong Zhou

и другие.

Chemical Research in Chinese Universities, Год журнала: 2025, Номер unknown

Опубликована: Май 14, 2025

Язык: Английский

Процитировано

0

Constructing Green Flavonoid Based Hyper Crosslinked Polymer Combined to Lc/Ms for Accurate Determination of Phenolic Endocrine Disruptors in Chicken and Pomfret Meat DOI

Ziyi Yin,

Yanli Dong, Zhi Li

и другие.

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0