Computational analysis, Urbach energy and Judd–Ofelt parameter of warm Sm3+ complexes having applications in photovoltaic and display devices

Abstract

In this work, six reddish orange Sm³⁺ complexes were synthesized using organic ligand (L) and secondary ligands having hetero atoms by a one-step significant liquid-assisted grinding method and were characterized by spectroscopic techniques. The Urbach energy and band gap energy of the complexes were inspected by a linear fit. Using a least square fitting method, the Judd–Ofelt parameter and radiative properties were also determined. Thermal analysis, colorimetric analysis, luminescence decay time and anti-microbial properties of complexes were studied. The luminescence emission spectra of binary and ternary complexes displayed three characteristic peaks at 565, 603 and 650 nm in the powder form and four peaks at 563, 605, 646 and 703 nm in a solution phase due to ⁴G_5/2 → ⁶H_5/2, ⁴G_5/2 → ⁶H_7/2, ⁴G_5/2 → ⁶H_9/2 and ⁴G_5/2 → ⁶H_11/2 transitions respectively. The most intense transition in the solid phase (⁴G_5/2 → ⁶H_7/2) is accountable for orange color, and in the solution form, the highly luminescent peak (⁴G_5/2 → ⁶H_9/2) is responsible for reddish orange color of Sm³⁺ complexes. PXRD and SEM analyses suggested that the complexes possess a nanoparticle grain size with crystalline nature. The decent optoelectrical properties of title complexes in the orangish-red visible domain indicated possible applications in the manufacturing of display and optoelectronic devices.