Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study.

ABSTRACT: Solar energy being a non-depleting energy resource, has attracted scientists' attention to develop efficient solar cells to meet energy demands. Herein, a series of hydrazinylthiazole-4-carbohydrazide organic photovoltaic compounds (BDTC1-BDTC7) with an A1-D1-A2-D2 framework was synthesized with 48-62% yields, and their spectroscopic characterization was accomplished using FT-IR, HRMS, ¹H and ¹³C-NMR techniques. Density functional theory (DFT) and time dependent DFT analyses were performed utilizing the M06/6-31G(d,p) functional to calculate the photovoltaic and optoelectronic properties of BDTC1-BDTC7via numerous simulations of the frontier molecular orbitals (FMOs), transition density matrix (TDM), open circuit voltage (V _oc) and density of

SUBMITTER: Haroon M 

PROVIDER: S-EPMC9986803 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature