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

et al.

Published: Jan. 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.

Language: 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

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 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.

Language: Английский

Citations

3

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

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: unknown, P. 156148 - 156148

Published: Sept. 1, 2024

Language: Английский

Citations

8

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

et al.

Chemical Synthesis, Journal Year: 2025, Volume and Issue: 5(2)

Published: March 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.

Language: Английский

Citations

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

et al.

Journal of the Taiwan Institute of Chemical Engineers, Journal Year: 2025, Volume and Issue: unknown, P. 106098 - 106098

Published: March 1, 2025

Language: Английский

Citations

1

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

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 705, P. 135752 - 135752

Published: Nov. 12, 2024

Language: Английский

Citations

6

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

Himanshi Singh,

Arup Biswas

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(29), P. 20183 - 20192

Published: July 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.

Language: Английский

Citations

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

et al.

ACS Applied Energy Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 20, 2025

Language: Английский

Citations

0

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

Chang Yang,

Hua Wang, Haojie Chen

et al.

ACS Applied Polymer Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 4, 2025

Language: Английский

Citations

0

Present and Future of Monovalent All-organic Batteries DOI

Kyungsoo Shin,

Guozhong Cao, Xiaolong Zhou

et al.

Chemical Research in Chinese Universities, Journal Year: 2025, Volume and Issue: unknown

Published: May 14, 2025

Language: Английский

Citations

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

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0