Organic light-emitting diode (OLED) devices fabricated using iridium complexes have
attracted great attention from researchers for decades due to their high efficiency and opto …

Three mononuclear cyclometalated iridium (III) complexes having dithiocarbamate
ligands,[IrIII (2-C6H4py) 2 (L)](where 2-C6H4py= 2-phenylpyridine; and L 1 H= 4 …

Multi-configuration self-consistent field (MCSCF) calculations followed by second-order
configuration interaction (SOCI) and spin–orbit coupling (SOC) calculations were performed …

In this paper, the influence of different ancillary ligands on geometric structures, frontier
molecular orbitals character, gap energy and electronic absorption spectra of [Ir (5-NO 2 …

Substituent effects of NH2, NO2 and CN groups on phosphorescence in fac-tris (2-
phenylpyridinato) iridium (III)[fac-Ir (ppy) 3] were examined theoretically by using the …

Quantum-chemical method is used to study the electronic structures and opto-electronic
properties of six cyclometalated iridium (III) complexes having a general formula (C^ N) 2 Ir …

This study describes the charge transfer mechanisms in the redox equilibrium of the
molecular capacitor β-DiCC [Ni (dmit) 2] by means of the DFT approach. Calculations on the …

A specific discipline of electronics, which focus on light-emitting or light-detecting devices,
the term “Optoelectronics” is used in the broader perspective. Such devices include those …

abstract This study describes the charge transfer mechanisms in the redox equilibrium of the
molecular capacitor b-DiCC [Ni (dmit) 2] by means of the DFT approach. Calculations on the …