Single crystal structure, self-assembled nano-structure and semiconductor properties of a sandwich-type mixed (phthalocyaninato)(porphyrinato) europium triple-decker complex

Lü, Jitao; Meng, Qingguo; Zhang, Liangliang; Liu, Yitong; Liu, Wenjie; Zhang, Xiaomei

doi:10.1016/j.dyepig.2014.12.005

Cited by 15 publications

(3 citation statements)

References 51 publications

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“…Nanostructures of the triple-decker compounds 1 and 2 were fabricated by the phase transfer method according to procedures reported in the literature [22,30,31] which are detailed below. A minimum volume (30e50 mL) of concentrated compounds 1 and 2…”

Section: Nanostructure Fabricationmentioning

confidence: 99%

Self-assembled organic nanostructures and nonlinear optical properties of heteroleptic corrole–phthalocyanine europium triple-decker complexes

Yan

et al. 2015

Dyes and Pigments

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Section: Nanostructure Fabricationmentioning

confidence: 99%

Self-assembled organic nanostructures and nonlinear optical properties of heteroleptic corrole–phthalocyanine europium triple-decker complexes

Yan

et al. 2015

Dyes and Pigments

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“…where E CB represents the conduction band edge energy of the semiconductor substrate, E redox represents the redox potential of the electrolyte, k represents the Boltzmann constant (1.38×10 -23 J/K), T represents the temperature, q represents the electron unit charge (1.6×10 -19 C), N CB is the conduction band (CB) accessible density, and n c represents the number of conduction band electrons. ∆CB is the shift of E CB when the surface of the semiconductor adsorbs the dye and can be computed as [28]:…”

Section: Dssc Parametersmentioning

confidence: 99%

Theoretical approach for Fe(II/III) and its chlorophyll-related complexes as sensitizers in dye-sensitized solar cells

et al. 2022

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Dye is the key to the efficiency of harvesting solar energy in dye-sensitized solar cells (DSSCs). The dye performances such as light absorption, electron injection, and electron regeneration depend on the dye molecule structure. To predict it, one needs to compute the optimized molecule geometry, HOMO level, LUMO level, electron density distribution, energy gaps, and dipole moment in the ground and excited state. Chlorophyll-related chlorin and porphyrin, as well as their κ2O,O’ complexes with Fe(II/III), were investigated with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) computations using the B3LYP method and def2-TZVP basis set. NPA charges also were calculated to know the valence of the metal cations exactly. In general, the calculations show that the metal cations introduced occupied d orbitals with lower oxidation potentials than the chlorophyll ligand orbitals, which are responsible for the emergence of additional absorption bands. The states result in effective band broadening and the redshift of spectrum absorbance that is expected to improve DSSC performance. Another requirement that has to be possessed is the ability of electron regeneration, electron injection, and dipole moment. The Fe(II) complex has fulfilled these requirements, but not the Fe(III) complex due to having a low electron injection capability. However, this work has shown that Fe(III) complex exhibits a non-innocence ligand. It results in trivalent to divalent state change, in the appearance of a ligand radical cation, an extra hole, and a broader absorption spectrum. It also can affect its other electronic properties, such as electron injection capability. Thus, it can be considered an attractive candidate for the sensitizer in DSSCs

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“…7,8 Depending on the interplay of various non-covalent interactions including hydrogen bonding, amphiphilic effect, polar ability, electrostatic interaction, ionic bonding, metal coordination, van der Waals force, π-π stacking, steric effect, and chirality, various well-defined discrete self-assemblies with improved functional properties have been fabricated. [9][10][11] Porphyrin derivatives are actually the active core structures found in many biological processes such as oxygen storage (myoglobin), oxygen transport (hemoglobin Hb), inactive C-H bond oxidation (cytochrome P-450), and oxygen reduction (cytochrome oxidase). 5 As one of the typical representatives of functional molecular materials with a large conjugated electronic molecular structure, porphyrins have also been extensively studied over the past century due to their wide range of industrial applications.…”

Section: Introductionmentioning

confidence: 99%

Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]

et al. 2015

Self Cite

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A sandwich-type dimer, namely Ĳμ-oxo)bisĳtetrakisĲp-bromophenyl-porphyrinato)ironĲIII)], ĳ(TBPP)Fe] 2 O, was prepared under solvothermal conditions and structurally characterized for the first time. Its self-assembly behavior has been comparatively investigated with the monomer ĳ(TBPP)Fe]Cl by electronic absorption spectroscopy, scanning electron microscopy (SEM), and powder X-ray diffraction (PXRD) with the help of single crystal analysis. The optical properties of both compounds were studied by an open aperture Z-scan technique, revealing their good third-order nonlinear optical (NLO) properties. In particular, the μ-oxo dimer shows an about one order of magnitude larger two-photon absorption (TPA) cross-section (σ) value than the monomer due to its more extended conjugated electronic structure.

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Single crystal structure, self-assembled nano-structure and semiconductor properties of a sandwich-type mixed (phthalocyaninato)(porphyrinato) europium triple-decker complex

Cited by 15 publications

References 51 publications

Self-assembled organic nanostructures and nonlinear optical properties of heteroleptic corrole–phthalocyanine europium triple-decker complexes

Self-assembled organic nanostructures and nonlinear optical properties of heteroleptic corrole–phthalocyanine europium triple-decker complexes

Theoretical approach for Fe(II/III) and its chlorophyll-related complexes as sensitizers in dye-sensitized solar cells

Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]

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