ULTRASOUND-DRIVEN STRUCTURAL REORGANIZATION AND CHARGE TRANSPORT ENHANCEMENT IN POST-SYNTHESIZED POLYANILINE EMERALDINE-SALT FORM

Jamilton Silva Boaes; Adriano de Souza Carolino; YVONNE PRIMERANO MASCARENHAS; Célio Matias Airone Macalia; Querem Hapuque Felix Rebelo; Edgar Aparecido Sanches

Título do Trabalho

Autores

Jamilton Silva Boaes
Adriano de Souza Carolino
YVONNE PRIMERANO MASCARENHAS
Célio Matias Airone Macalia
Querem Hapuque Felix Rebelo
Edgar Aparecido Sanches

Modalidade

Pôster - resumo

Área temática

Materiais e biomateriais

Data de Publicação

27/05/2026

País da Publicação

Brasil

Idioma da Publicação

pt-BR

Página do Trabalho

https://www.even3.com.br/anais/workshop-do-ineo-2026/1464899-ultrasound-driven-structural-reorganization-and-charge-transport-enhancement-in-post-synthesized-polyaniline-eme

ISBN

978-65-272-2467-9

Palavras-Chave

Conducting polymers, Band gap modulation, Percolative transport, Ultrasonication

Resumo

A scalable, green, and chemically non-invasive post-synthesis strategy based on ultrasound-assisted processing [1] was employed to enhance charge transport in powdered polyaniline emeraldine salt form (PAni-ES) [2-3] dispersed in different media (distilled water and 1 M HCl). Experimental results from structural, spectroscopic, thermal, and electrical analyses were rigorously correlated with density functional theory (DFT) calculations. The dispersion medium and ultrasonic power (300, 450 and 600 W) emerged as decisive parameters governing macromolecular organization and, consequently, the electrical conductivity of PAni-ES. XRD analysis revealed that increasing ultrasonic power in distilled water progressively reduced crystallinity (from 49% to 33%), as evidenced by peak broadening and diminished p–p stacking coherence. In contrast, ultrasonication in 1 M HCl induced a power-dependent increase in crystallinity (up to 63%), reflecting cooperative structural reorganization and protonation-stabilized densification. ATR–FTIR analysis confirmed that ultrasonication under acidic conditions promoted effective molecular reorganization and enhanced structural ordering, whereas neutral conditions induced only modest conformational changes. In 1M HCl, Q/B ratios approached unity and crosslinking indices increased significantly (˜57–72%), evidencing strengthened interchain stabilization. Accordingly, ultrasonication in 1 M HCl reduced the optical band gap (down to ˜1.83 eV) and systematically decreased the Urbach energy (˜10^4 meV at 600 W), indicating enhanced electronic delocalization, improved doping efficiency, and a significant reduction in tail-state disorder. Electrochemical impedance spectroscopy revealed that samples ultrasonicated in distilled water exhibited low conductivity (10-6 – 10-4 (O·m)-¹) and pronounced frequency dependence, indicating localized hopping transport consistent with structural disorder and limited doping. In contrast, ultrasonication in 1 M HCl increased conductivity by several orders of magnitude (10-² – 10-¹ (O·m)-¹) and yielded nearly frequency-independent spectra, characteristic of well-established percolative charge transport pathways. Finally, DFT simulations demonstrated that dopant incorporation and ultrasound-induced interchain coupling promoted backbone planarization, reduced torsional disorder, and significant HOMO–LUMO gap narrowing, while the calculated FTIR spectra reproduced key C–N vibrational features associated with interchain interactions. These findings demonstrate that controlled ultrasonication constitutes an effective non-thermal and non-chemical strategy for enhancing electrical conductivity in PAni-ES, highlighting a sustainable and scalable pathway for tailoring structure–property relationships in conducting polymers. References: [1] 10.3390/molecules27154905; [2] 10.1016/j.molstruc.2012.12.025; [3] 10.3303/CET1972071. Acknowledgments: The authors gratefully acknowledge the support of INEO and the funding agencies FAPESP (Grant No. 2025/27044-5) and CNPq (Grant No. 408449/2024-1).

Título do Evento: Workshop do INEO 2026
Cidade do Evento: Nazaré Paulista
Título dos Anais do Evento: Anais do Workshop do INEO 2026
Nome da Editora: Even3
Meio de Divulgação: Meio Digital

Como citar

BOAES, Jamilton Silva et al.. ULTRASOUND-DRIVEN STRUCTURAL REORGANIZATION AND CHARGE TRANSPORT ENHANCEMENT IN POST-SYNTHESIZED POLYANILINE EMERALDINE-SALT FORM.. In: Anais do Workshop do INEO 2026. Anais...Nazaré Paulista(SP) Hotel Estância Atibainha, 2026. Disponível em: https//www.even3.com.br/anais/workshop-do-ineo-2026/1464899-ULTRASOUND-DRIVEN-STRUCTURAL-REORGANIZATION-AND-CHARGE-TRANSPORT-ENHANCEMENT-IN-POST-SYNTHESIZED-POLYANILINE-EME. Acesso em: 11/08/2026