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

Ground state geometries, UV/vis absorption spectra and charge transfer properties of triphenylamine-thiophenes based dyes for DSSCs: A TD-DFT benchmark study

(2018) Zakaria Mohyi Eddine Fahim et al.   Computational and Theoretical Chemistry

Understanding the photo-electrochemistry of metal-free di and tri substituted thiophene-based organic dyes in dye-sensitized solar cells using DFT/TD-DFT studies

(2017) Sudip Mandal et al.   IONICS

Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO 2 surface for dye-sensitized solar cell applications

(2017) Pongthep Prajongtat et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Theoretical design of push-pull porphyrin dyes with π -bridge modification for dye-sensitized solar cells

(2017) Yahui Guo et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

A computational investigation on the influence of different π spacer groups in the bithiazole-based organic dye sensitizers on the short-circuit photocurrent densities of dye-sensitized solar cells

(2017) Elaheh Hosseinzadeh et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Time dependent – density functional theory characterization of organic dyes for dye-sensitized solar cells

(2017) Rifaat Hilal et al.   MOLECULAR SIMULATION

DFT and TD–DFT calculations of the electronic structures and photophysical properties of newly designed pyrene-core arylamine derivatives as hole-transporting materials for perovskite solar cells

(2017) Nuha Wazzan et al.   THEORETICAL CHEMISTRY ACCOUNTS

A review on triphenylamine (TPA) based organic hole transport materials (HTMs) for dye sensitized solar cells (DSSCs) and perovskite solar cells (PSCs): evolution and molecular engineering

(2017) Pooja Agarwala et al.   Journal of Materials Chemistry A

Dithienopyrrolobenzotriazole-based organic dyes with high molar extinction coefficient for efficient dye-sensitized solar cells

(2016) Zu-Sheng Huang et al.   DYES AND PIGMENTS

Organic sensitizers for dye-sensitized solar cell (DSSC): Properties from computation, progress and future perspectives

(2016) I.N. Obotowo et al.   JOURNAL OF MOLECULAR STRUCTURE

TDDFT screening auxiliary withdrawing group and design the novel D-A-π-A organic dyes based on indoline dye for highly efficient dye-sensitized solar cells

(2016) Zhenqing Yang et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Theoretical studies of electronic and optical properties of the triphenylamine-based organic dyes with diketopyrrolopyrrole chromophore

(2015) Hong-Qiang Xia et al.   DYES AND PIGMENTS

Theoretical study of benzene/thiophene based photosensitizers for dye sensitized solar cells (DSSCs)

(2015) Umer Mehmood et al.   DYES AND PIGMENTS

Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT

(2015) Rody Soto-Rojo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The theoretical investigation on the 4-(4-phenyl-4-α-naphthylbutadieny)-triphenylamine derivatives as hole transporting materials for perovskite-type solar cells

(2015) Wei-Jie Chi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coumarin-based donor–π–acceptor organic dyes for a dye-sensitized solar cell: photophysical properties and electron injection mechanism

(2015) Supawadee Namuangruk et al.   THEORETICAL CHEMISTRY ACCOUNTS

Can elongation of the π-system in triarylamine derived sensitizers with either benzothiadiazole and/or ortho-fluorophenyl moieties enrich their light harvesting efficiency? – a theoretical study

(2015) Kadali Chaitanya et al.   RSC Advances

A benzothiazole–cyclopentadithiophene bridged D–A–π–A sensitizer with enhanced light absorption for high efficiency dye-sensitized solar cells

(2014) Xingzhu Wang et al.   CHEMICAL COMMUNICATIONS

Theoretical study and design of triphenylamine-malononitrile-based p-type organic dyes with different π-linkers for dyes-sensitized solar cells

(2014) Hai-Bin Li et al.   DYES AND PIGMENTS

Theoretical studies on electronic structures and photophysical properties of anthracene derivatives as hole-transporting materials for OLEDs

(2014) Chirawat Chitpakdee et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

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

Arylamine organic dyes for dye-sensitized solar cells

(2013) Mao Liang et al.   CHEMICAL SOCIETY REVIEWS

Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells

(2013) Aswani Yella et al.   CHEMISTRY OF MATERIALS

Density functional theory characterization and verification of high-performance indoline dyes with D–A–π–A architecture for dye-sensitized solar cells

(2013) Wei-Lu Ding et al.   DYES AND PIGMENTS

Origin of the Variation of Exciton Binding Energy in Semiconductors

(2013) Marc Dvorak et al.   PHYSICAL REVIEW LETTERS

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

Nonlinear optical properties of DPO and DMPO: a theoretical and computational study

(2013) Alejandro J. Garza et al.   THEORETICAL CHEMISTRY ACCOUNTS

Photochromic and nonlinear optical properties of fulgides: A density functional theory study

(2013) Alejandro J. Garza et al.   Computational and Theoretical Chemistry

Organic sensitizers from D–π–A to D–A–π–A: effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances

(2012) Yongzhen Wu et al.   CHEMICAL SOCIETY REVIEWS

Acene-Modified Triphenylamine Dyes for Dye-Sensitized Solar Cells: A Computational Study

(2012) Wenjie Fan et al.   CHEMPHYSCHEM

Photophysical and Electrochemical Properties, and Molecular Structures of Organic Dyes for Dye-Sensitized Solar Cells

(2012) Yousuke Ooyama et al.   CHEMPHYSCHEM

How to design proper ?-spacer order of the D-?-A dyes for DSSCs? A density functional response

(2012) Ji Zhang et al.   DYES AND PIGMENTS

Review on dye-sensitized solar cells (DSSCs): Fundamental concepts and novel materials

(2012) Jiawei Gong et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes

(2011) Natalia Martsinovich et al.   Energy & Environmental Science

Density functional theory characterization and design of high-performance diarylamine-fluorenedyes with different π spacers for dye-sensitized solar cells

(2011) Ji Zhang et al.   JOURNAL OF MATERIALS CHEMISTRY

Can Polypyridyl Cu(I)-based Complexes Provide Promising Sensitizers for Dye-Sensitized Solar Cells? A Theoretical Insight into Cu(I) versus Ru(II) Sensitizers

(2011) Xiaoqing Lu et al.   Journal of Physical Chemistry C

Novel 1,3,4-oxadiazole derivatives as efficient sensitizers for dye-sensitized solar cells: A combined experimental and computational study

(2011) Kola Srinivas et al.   SYNTHETIC METALS

Organic D-A-π-A Solar Cell Sensitizers with Improved Stability and Spectral Response

(2010) Weihong Zhu et al.   ADVANCED FUNCTIONAL MATERIALS

Donor–acceptor dyes with fluorine substituted phenylene spacer for dye-sensitized solar cells

(2010) Bo-So Chen et al.   JOURNAL OF MATERIALS CHEMISTRY

Organic molecules based on dithienyl-2,1,3-benzothiadiazole as new donor materials for solution-processed organic photovoltaic cells

(2010) Zhonglian Wu et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Quantum chemistry calculations of 3-Phenoxyphthalonitrile dye sensitizer for solar cells

(2010) P. Senthil Kumar et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules

(2009) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High Open-Circuit Voltage Solid-State Dye-Sensitized Solar Cells with Organic Dye

(2009) Peter Chen et al.   NANO LETTERS

Recent Developments in Solid-State Dye-Sensitized Solar Cells

(2008) Jun-Ho Yum et al.   ChemSusChem

Employ a bisthienothiophene linker to construct an organic chromophore for efficient and stable dye-sensitized solar cells

(2008) Guangliang Zhang et al.   Energy & Environmental Science

DFT and TDDFT study on organic dye sensitizers D5, DST and DSS for solar cells

(2008) Zhang Cai-Rong et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

New Triphenylamine-Based Dyes for Dye-Sensitized Solar Cells

(2008) Wei Xu et al.   Journal of Physical Chemistry C