AbstractThe current–voltage (I–V) characteristics of Aluminium/5,14-dihydro-5,7,12,14-tetraazapentacenes (L5H2 or DHTAPs) doped surface-type structures were investigated in air at ambient temperature and moisture. The conventional forward bias I–V method, Semi-logarithm, Cheung functions and modified Norde’s function were used to extract the diode parameters including ideality factor, series resistance and barrier height. The parameter values obtained from these four different methods were found in good agreement. Manuscript profile

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Thianthrene and its derivatives have attracted considerable attention in the realm of organic semiconductors owing to their intriguing electronic and optical properties. This paper offers a comprehensive examination of Thianthrene, concentrating on its principal features, including its highest occupied molecular orbital (HOMO) at -8.03 eV, lowest unoccupied molecular orbital (LUMO) at -0.46 eV, ultraviolet (UV) absorption spectrum, and infrared (IR) spectroscopy data. The inquiry, utilizing data derived from Scigress, unveils crucial insights into the electronic structure and spectroscopic traits of Thianthrene and its derivatives. The UV absorption spectrum at 160 nm provides glimpses into the optical attributes and potential applications in optoelectronic devices like OLEDs. Moreover, the IR spectroscopy data illuminates the molecular vibrations and structural attributes of Thianthrene, facilitating the understanding of its chemical reactivity and potential strategies for functionalization. Overall, the results underscore Thianthrene's significance as a promising contender for organic semiconductor materials and highlight avenues for further exploration and development in this domain. Additionally, the ultimate heat of formation of Thianthrene is computed using computational modeling techniques offered by Scigress, yielding a value of 56.4736 kcal/mol. This calculated heat of formation furnishes critical thermodynamic data, contributing to a more profound understanding of Thianthrene's stability and reactivity in various chemical environments. Manuscript profile

This article utilizes computational software to explore the characteristics of a gold lattice structured in a Face-Centered Cubic (FCC) arrangement. The investigation reveals a heat of formation for gold metal, calculated at 475.2972 kcal/mol, elucidating the energy required for the formation of one mole of gold from its constituent atoms. Infrared (IR) spectroscopy findings are also discussed, with green arrows indicating the normal modes of vibration for gold atoms within the FCC lattice at specific wavelengths. These arrows provide visual representations of the oscillation directions during each vibrational mode when exposed to infrared light. Furthermore, the article examines electronic properties, highlighting the HOMO and LUMO energy levels calculated at -11.61 eV and -7.94 eV, respectively. These levels denote the Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO), with negative signs indicating bonding orbitals that contribute to material stability. The energy difference of 3.67 eV between HOMO and LUMO influences various properties of gold, such as its electrical conductivity and band gap. Manuscript profile