Theoretical and Experimental analysis of ZnPc for its local ordering and electronic structure

Synthesis of TiO2 nanostructured reservoir with temozolomide: Structural evolution of the occluded drug

“…Considering the frontier molecular orbital (HOMO and LUMO) distributions, we can understand better the effects on the chemical selectivity and the capability of the molecules to be receptor or donor of electrons in a possible interaction with the matrix in the reservoir or with the neurons in case it is delivered properly [20][21][22][23]. It is clear that HOMO distribution changes dramatically since for the original molecule it is localized in the region with the oxygen exposed atom, while for the second step it is distributed generally in the molecule, but for the last two structures the HOMO is found in the right section, mainly over the nitrogen exposed atoms.…”

Structural and optical properties of thermal evaporated magnesium phthalocyanine (MgPc) thin films

“…The main application of MPc's is the production of organic light emitting devices (OLED) where they perform the role of holes injection layes [3]. Due to the semiconducting properties of MPc's, they are also attractive for photodetectors, organic transistors, sensitive gas sensors, flexible solar cells [4,5], non linear optics [6], photodynamic therapy [7], basis for the optical sensing [8], as carrier generation materials in near infrared [9] and optical data storage systems [10].…”

Photoconduction and transport mechanisms in polycrystalline zincphthalocyanine thin films

“…When the excitons generated in the Q band of metal Pc crystals coupled to coherent phonons, one can expect the enhancement of coherent vibrations in the energy region of the Q band. With the help of the theoretical simulations, which is an excellent tool for the understanding of electronic properties in inorganic and organic materials, and using the quantum mechanical calculations we have already published [10] a study on the periodic arrays of the ZnPc, which have contributed to the improvement of the understanding of the local structure and the electronic properties. Hence in this work, as a continuation of our efforts [11][12][13] fabricate a solar cell with the ZnPc as absorber we report in this article our partial work on the photoconduction in the Q band region on ZnPc thin films.…”