Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes

DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS)

(2021) Said A.H. Vuai et al.   Heliyon

Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs

(2020) Tomás Delgado-Montiel et al.   MOLECULES

Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects

(2020) Marzieh Miar et al.   JOURNAL OF CHEMICAL RESEARCH

Design and theoretical study of phenothiazine-based low bandgap dye derivatives as sensitizers in molecular photovoltaics

(2020) Samson Olusegun Afolabi et al.   OPTICAL AND QUANTUM ELECTRONICS

Coumarin-based D–π–A dyes for efficient DSSCs: DFT and TD-DFT study of the π-spacers influence on photovoltaic properties

(2020) Mohammed Souilah et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Theoretical design and characterization of D-A1-A based organic dyes for efficient DSSC by altering promising acceptor (A1) moiety

(2020) Mohamed Hachi et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

A DFT/TDDFT investigation on the efficiency of novel dyes with ortho-fluorophenyl units (A1) and incorporating benzotriazole/benzothiadiazole/phthalimide units (A2) as organic photosensitizers with D–A2–π–A1 configuration for solar cell applications

(2019) Nuha A. Wazzan   Journal of Computational Electronics

Theoretical Study of the Effect of Different π Bridges Including an Azomethine Group in Triphenylamine-Based Dye for Dye-Sensitized Solar Cells

(2019) Tomás Delgado-Montiel et al.   MOLECULES

Molecular Geometry, NLO, MEP, HOMO-LUMO and Mulliken Charges of Substituted Piperidine Phenyl Hydrazines by Using Density Functional Theory

(2019) M. Dinesh Kumar et al.   ASIAN JOURNAL OF CHEMISTRY

Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation

(2019) Geradius Deogratias et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Fine Structural Tuning of Thieno[3,2-b] Pyrrole Donor for Designing Banana-Shaped Semiconductors Relevant to Organic Field Effect Transistors

(2018) Afshan Mohajeri et al.   Journal of Chemical Information and Modeling

Dye-Sensitized Solar Cells: Fundamentals and Current Status

(2018) Khushboo Sharma et al.   Nanoscale Research Letters

Theoretical study on the bridge comparison of TiO2 nanoparticle sensitizers based on phenoxazine in dye-sensitized solar cells

(2017) Zahra Jafari Chermahini et al.   THEORETICAL CHEMISTRY ACCOUNTS

Pollution from Fossil-Fuel Combustion is the Leading Environmental Threat to Global Pediatric Health and Equity: Solutions Exist

(2017) Frederica Perera   International Journal of Environmental Research and Public Health

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Tailoring of energy levels in (2Z)-2-cyano-2-[2-[(E)-2-[2-[(E)-2-(p-tolyl)vinyl]thieno[3,2-b]thiophen-5-yl]vinyl]pyran-4-ylidene]acetic acid derivatives via conjugate bridge and fluorination of acceptor units for effective D–π–A dye-sensitized solar cells: DFT–TDDFT approach

(2016) Banjo Semire et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Quantum chemical study of the effect of π-bridge on the optical and electronic properties of sensitizers for DSSCs incorporating dioxythiophene and thiophene units

(2016) Tomás Delgado-Montiel et al.   THEORETICAL CHEMISTRY ACCOUNTS

An Experimental and Theoretical Investigation of the Electronic Structures and Photoelectrical Properties of Ethyl Red and Carminic Acid for DSSC Application

(2016) Chaofan Sun et al.   Materials

Molecular engineering of new phenothiazine-based D–A–π–A dyes for dye-sensitized solar cells

(2016) Xiaofeng Zhang et al.   RSC Advances

DFT theoretical investigations of π-conjugated molecules based on thienopyrazine and different acceptor moieties for organic photovoltaic cells

(2016) Mohammed Bourass et al.   Journal of Saudi Chemical Society

Theoretical Study of Acene-Bridged Dyes for Dye-Sensitized Solar Cells

(2015) Minjie Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Design of (2Z)-2-cyano-2-[2-[(E)-2-[5-[(E)-2-(4-dimethylaminophenyl)vinyl]-2-thienyl]vinyl]pyran-4-ylidene]acetic acid derivatives as D-π-A dye sensitizers in molecular photovoltaics: a density functional theory approach

(2015) Banjo Semire et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Density Functional Theory Study on the Electronic Structures of Oxadiazole Based Dyes as Photosensitizer for Dye Sensitized Solar Cells

(2015) Umer Mehmood et al.   Advances in Materials Science and Engineering

Theoretical investigation of new thiazolothiazole-based D-π-A organic dyes for efficient dye-sensitized solar cell

(2014) Asmae Fitri et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Theoretical investigation of novel phenothiazine-based D–π–A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells

(2014) Jing-Jing Fu et al.   Computational and Theoretical Chemistry

Novel organic sensitizers containing dithiafulvenyl units as additional donors for efficient dye-sensitized solar cells

(2014) Zhongquan Wan et al.   RSC Advances

A comparative study on properties of two phenoxazine-based dyes for dye-sensitized solar cells

(2013) Haijun Tan et al.   DYES AND PIGMENTS

The effects of the number of anchoring groups and N-substitution on the performance of phenoxazine dyes in dye-sensitized solar cells

(2013) Woosung Lee et al.   DYES AND PIGMENTS

Highly efficient dye-sensitized solar cells: progress and future challenges

(2013) Shufang Zhang et al.   Energy & Environmental Science

Theoretical investigation of triphenylamine-based sensitizers with different π-spacers for DSSC

(2013) Wei Li et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Novel D–A–π–A coumarin dyes containing low band-gap chromophores for dye-sensitised solar cells

(2012) Kang Deuk Seo et al.   DYES AND PIGMENTS

Aggregation-free branch-type organic dye with a twisted molecular architecture for dye-sensitized solar cells

(2012) Youhei Numata et al.   Energy & Environmental Science

High-conversion-efficiency organic dye-sensitized solar cells: molecular engineering on D–A–π-A featured organic indoline dyes

(2012) Yongzhen Wu et al.   Energy & Environmental Science

Recent developments in molecule-based organic materials for dye-sensitized solar cells

(2012) Yung-Sheng Yen et al.   JOURNAL OF MATERIALS CHEMISTRY

Density functional theory study on the electronic structure of Monascus dyes as photosensitizer for dye-sensitized solar cells

(2012) Wichien Sang-aroon et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Phenoxazine Dyes for Dye-Sensitized Solar Cells: Relationship Between Molecular Structure and Electron Lifetime

(2011) Karl Martin Karlsson et al.   CHEMISTRY-A EUROPEAN JOURNAL

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Natural resource limitations to terawatt-scale solar cells

(2011) Coby S. Tao et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Recombination Dynamics as a Key Determinant of Open Circuit Voltage in Organic Bulk Heterojunction Solar Cells: A Comparison of Four Different Donor Polymers

(2010) Andrea Maurano et al.   ADVANCED MATERIALS

A density functional theory and time-dependent density functional theory investigation on the anchor comparison of triarylamine-based dyes

(2010) Bo Peng et al.   JOURNAL OF CHEMICAL PHYSICS

TDDFT study of absorption spectrum of ketocyanine dye complexes with metal ions: explicit solvent model

(2010) Andrzej Eilmes   THEORETICAL CHEMISTRY ACCOUNTS

Recent Advances in Sensitized Mesoscopic Solar Cells

(2009) Michael Grätzel   ACCOUNTS OF CHEMICAL RESEARCH

Accurate Simulation of Optical Properties in Dyes

(2008) Denis Jacquemin et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Triphenylamine Dye Model for the Study of Intramolecular Energy Transfer and Charge Transfer in Dye-Sensitized Solar Cells

(2008) Haining Tian et al.   ADVANCED FUNCTIONAL MATERIALS

An Improved Perylene Sensitizer for Solar Cell Applications

(2008) Chen Li et al.   ChemSusChem