Exploring optical, electrochemical, thermal, and theoretical aspects of simple carbazole-derived organic dyes

Praveen Naik; Nibedita Swain; R Naik; Nainamalai Devarajan; Abdel-Basit Al-Odayni; Naaser A Y Abduh; Kavya S Keremane; Devarajan Alagarasan; T Aravinda; H B Shivaprasad

doi:10.1016/j.heliyon.2024.e25624

Exploring optical, electrochemical, thermal, and theoretical aspects of simple carbazole-derived organic dyes

Heliyon. 2024 Feb 6;10(4):e25624. doi: 10.1016/j.heliyon.2024.e25624. eCollection 2024 Feb 29.

Authors

Affiliations

¹ Department of Chemistry, Nitte Meenakshi Institute of Technology, Yelahanka, Bengaluru, 560064, Karnataka, India.
² Department of Engineering and Materials Physics, Institute of Chemical Technology-Indian Oil Odisha Campus, Bhubaneswar, 751013, India.
³ Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore, 560012, Karnataka, India.
⁴ Department of Restorative Dental Science, College of Dentistry, King Saud University, P. O. Box 60169, Riyadh, 11545, Saudi Arabia.
⁵ Department of Chemistry, College of Science, King Saud University, Saudi Arabia.
⁶ Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA.
⁷ Department of Physics, Nitte Meenakshi Institute of Technology, Yelahanka, Bengaluru, 560064, Karnataka, India.

Abstract

This study highlights the recent advancements in organic electronic materials and their potential for cost-effective optoelectronic devices. The investigation focuses on the molecular design, synthesis, and comprehensive analysis of two organic dyes, aiming to explore their suitability for optoelectronic applications. The dyes are strategically constructed with carbazole as the foundational structure, connecting two electron-withdrawing groups: barbituric acid (Cz-BA) and thiobarbituric acid (Cz-TBA). These dyes, featuring carbazole as the core and electron-withdrawing groups, demonstrate promising spectral, optical, electrochemical, thermal, and theoretical properties. They show strong potential for diverse optoelectronic applications, promising efficient light absorption and robust stability. The results endorse their suitability for practical optoelectronic systems.

Keywords: Carbazole; Computational studies; DSSC; Energy Level Diagram; NLO; Organic dyes.