Predicting Larger Absorption Cross-Section in Porphyrin Dyes using DFT Calculations

QR Code

Predicting Larger Absorption Cross-Section in Porphyrin Dyes using DFT Calculations

Porphyrin macrocycles play an important role in designing of fluorophores with superior light harvesting properties similar to that of antennas in biological systems. In this paper, new Zn(II) porphyrin dyes were investigated to improve the performance of the YD2-o-C8 using density functional theory...

Full description

Bibliographic Details
Main Authors:	Yasin, Amina, Rajan, Jose, M. M., Yusoff
Format:	Article
Language:	English English
Published:	World Scientific Company 2015
Subjects:	QD Chemistry
Online Access:	http://umpir.ump.edu.my/id/eprint/12896/ http://umpir.ump.edu.my/id/eprint/12896/1/J%20Porphyrins.pdf http://umpir.ump.edu.my/id/eprint/12896/7/Predicting%20Larger%20Absorption%20Cross-section%20in%20Porphyrin%20Dyes%20using%20DFT%20Calculations.pdf

Similar Items

Design and development of new zinc porphyrin molecules as high performing photoacoustic contrast agents
by: Yasin, Amina
Published: (2018)

Structural parameters versus third-order optical susceptibility of zinc porphyrin molecules
by: Amina, Yasin, et al.
Published: (2021)

Meso-Zn(ii)porphyrins of tailored functional groups for intensifying the photoacoustic signal
by: Yasin, Amina, et al.
Published: (2020)

Quantum chemical calculations of the excited states of porphyrins
by: Suess, C.J.
Published: (2018)

Quantum Chemical Simulation of Molecular Structures for High Efficiency Solar Cells
by: Yasin, Amina, et al.
Published: (2013)

On the Missing Links in Quantum Dot Solar Cells: a DFT Study on Fluorophore Oxidation and Reduction Processes in Sensitized Solar Cells
by: Saifful Kamaluddin, Muzakir, et al.
Published: (2013)

DFT calculation of vibrations in the clusters of zinc and oxygen atoms
by: Ahmad Nazrul Rosli,, et al.
Published: (2013)

Synthesis, characterization and preliminary study on acetylpyrazine N(4)butylthiosemicarbazone as a potential CDK2 inhibitor combined with DFT calculations
by: Abdullah, Erna Normaya, et al.
Published: (2018)

Record Multiphoton Absorption Cross-Sections by Dendrimer Organometalation
by: Simpson, Peter, et al.
Published: (2016)

Benchmark Calculations of Electron-Impact Differential Cross Sections
by: Bray, Igor, et al.
Published: (2011)

On The Scalability of Dye-Sensitized Solar Cells : Effect of Photoelectrode Area on the Photovoltaic and Charge Transport Parameters
by: Rajan, Jose, et al.
Published: (2013)

A quinoline-based fluorescent labelling for zinc detection and DFT calculations
by: Nur Syamimi Mohamad,, et al.
Published: (2022)

A Perspective on the Production of Dye-sensitized Solar Modules
by: Fakharuddin, Azhar, et al.
Published: (2014)

Standardization of Photoelectrode Area of Dye-Sensitized Solar Cells
by: Fakharuddin, Azhar, et al.
Published: (2013)

Experimental and DFT calculations for C/ZnO@S cathode and prelithiation Si anode for advanced sulfur-based batteries
by: Kiai, Maryam Sadat, et al.
Published: (2025)

Selective arylation of phenol protected propygyl bromide via pd-catalysed Suzuki coupling reaction: synthesis, mechanistic studies by DFT calculations and their pharmacological aspects
by: Farooq, Hira, et al.
Published: (2018)

Photoelectrochemical properties of the CT1 dye: A DFT study
by: Camino, B., et al.
Published: (2013)

DFT/TD-DFT study on development and optimization of 1- anilino-3- phenyliminourea as a colorimetric chemosensor for Hg2+ recognition in aqueous medium
by: Abdullah, Erna Normaya, et al.
Published: (2020)

Transition from saturable absorption to reverse saturable absorption of carmoisine dye under low-powered continuous wave laser excitation
by: Abdullah, M., et al.
Published: (2019)

Evaluation of heat capacity of CdSe quantum dots using DFT calculations
by: Amirul Edham, Roslee
Published: (2017)

Playing Tetris with porphyrins: the synthesis of porphyrinic materials for self-sssembly studies
by: Hames, Tim
Published: (2016)

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: selectivity, characterization, DFT studies and their biological evaluations
by: Rizwan, Komal, et al.
Published: (2018)

Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound
by: Caracelli, Ignez, et al.
Published: (2016)

Random Nanowires of Nickel Doped TiO2 With High Surface Area and Electron Mobility for High Efficiency Dye-Sensitized Solar Cells
by: Rajan, Jose, et al.
Published: (2013)

Absorption cross section of building materials at mm wavelength in a reverberation chamber
by: Micheli, D., et al.
Published: (2017)

Encouraging incremental improvements at increasingly larger scales
by: McDonald, Tein
Published: (2015)

Iron-porphyrin encapsulated in poly(methacrylic acid) and mesoporous Al-MCM-41 as catalysts in the oxidation of benzene to phenol
by: Nur, Hadi, et al.
Published: (2006)

Iron-porphyrin encapsulated in poly(methacrylic acid) and mesoporous Al-MCM-41 as catalysts in the oxidation of benzene to phenol
by: Nur, Hadi, et al.
Published: (2006)

Cross-sectional area calculation for arbitrary shape in the image using star algorithm with Green's theorem
by: Esmaile, Maher Faik, et al.
Published: (2013)

Calculation of the relativistic rise in electron-impact-excitation cross sections for highly charged ions
by: Bostock, Christopher, et al.
Published: (2013)

Linguistic Minorities Their Existence & Identity Within Larger Communities
by: Asmah, Haji Omar, et al.
Published: (2017)

MY SAY: Innovation through a larger network
by: Abd Razak, Dzulkifli
Published: (2009)

Inter-district travel benefits larger states more
by: Mohd Noor, Alisha Nur
Published: (2021)

Ultraviolet photofragmentation spectroscopy of metal dication sandwich complexes in the gas phase combined with DFT/TDDFT calculations
by: Ma, Lifu
Published: (2013)

High Performance Dye-Sensitized Solar Cells with Record Open Circuit Voltage using Tin Oxide Nanoflowers Developed by Electrospinning
by: M. M., Yusoff, et al.
Published: (2012)

Divergent synthesis of ruthenium alkynyl dendrimers and a two-photon absorption cross-section dendritic effect
by: Green, K., et al.
Published: (2012)

Cross-sectional return dispersion and volatility prediction
by: Fei, Tianlun, et al.
Published: (2019)

Characteristics of ZnO-SnO2 Composite Nanofibers as a Photoanode in Dye-Sensitized Solar Cells
by: Bakr, Zinab H., et al.
Published: (2018)

Polymer versus cation of gel polymer electrolytes in the charge storage of asymmetric supercapacitors
by: Pal, Bhupender, et al.
Published: (2019)

Correlation study on temperature dependent conductivity and line profile along the LLTO/LFP-C cross section for all solid-state Lithium-ion batteries
by: Abhilash, K. P., et al.
Published: (2019)