Designing of Efficient Acceptors for Organic Solar Cells: Molecular Modelling at DFT Level

A theoretical exploration of the effect of fluorine and cyano substitutions in diketopyrrolopyrrole-based polymer donor for organic solar cells

(2017) Zhi-Wen Zhao et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Theoretical studies for forecasting the power conversion efficiencies of polymer-based organic photovoltaic cells

(2017) Cristiano Zanlorenzi et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Tuning of optoelectronic and charge transport properties in star shaped anthracenothiophene-pyrimidine derivatives as multifunctional materials

(2017) Ahmad Irfan et al.   OPTIK

Electro-optical, nonlinear and charge transfer properties of naphthalene based compounds: A dual approach study

(2017) Ahmad Irfan et al.   OPTIK

First principles study of the n -channel thiophene based heterocyclic chalcones

(2017) Ahmad Irfan et al.   OPTIK

Molecular electron acceptors for efficient fullerene-free organic solar cells

(2017) Shuixing Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Construction of a 9,9′-bifluorenylidene-based small molecule acceptor materials by screening conformation, steric configuration and repeating unit number: a theoretical design and characterization

(2017) Ming-Yue Sui et al.   Journal of Materials Chemistry C

Recent progress in non-fullerene small molecule acceptors in organic solar cells (OSCs)

(2017) Wangqiao Chen et al.   Journal of Materials Chemistry C

Charge Transfer Modulated Self-Assembly in Poly(aryl ether) Dendron Derivatives with Improved Stability and Transport Characteristics

(2016) Sitakanta Satapathy et al.   ACS Applied Materials & Interfaces

Energy-Level Modulation of Small-Molecule Electron Acceptors to Achieve over 12% Efficiency in Polymer Solar Cells

(2016) Sunsun Li et al.   ADVANCED MATERIALS

π-Bridge-Independent 2-(Benzo[c][1,2,5]thiadiazol-4-ylmethylene)malononitrile-Substituted Nonfullerene Acceptors for Efficient Bulk Heterojunction Solar Cells

(2016) Kai Wang et al.   CHEMISTRY OF MATERIALS

Recent developments of di-amide/imide-containing small molecular non-fullerene acceptors for organic solar cells

(2016) He-Wei Luo et al.   CHINESE CHEMICAL LETTERS

Small molecule based N-phenyl carbazole substituted diketopyrrolopyrroles as donors for solution-processed bulk heterojunction organic solar cells

(2016) Yuvraj Patil et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT and TD-DFT study on the structural and optoelectronic characteristics of chemically modified donor-acceptor conjugated oligomers for organic polymer solar cells

(2016) Francisco C. Franco et al.   POLYMER

Reorganization energy for hole and electron transfer of poly(3-hexylthiophene) derivatives

(2016) Eliezer Fernando Oliveira et al.   POLYMER

Triphenylamine based dyes for dye sensitized solar cells: A review

(2016) Asif Mahmood   SOLAR ENERGY

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

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

(2015) Christian B. Nielsen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Study of an indoline–phenothiazine based organic dye for Dye-Sensitized Solar Cells. Theoretical calculations and experimental data

(2015) Challuri Vijay Kumar et al.   ORGANIC ELECTRONICS

Indoline as electron donor unit in “Push–Pull” organic small molecules for solution processed organic solar cells: Effect of the molecular π-bridge on device efficiency

(2015) Núria F. Montcada et al.   ORGANIC ELECTRONICS

Heterocyclic azo dyes for dye sensitized solar cells: A quantum chemical study

(2015) Asif Mahmood et al.   Computational and Theoretical Chemistry

Recent research progress on quasi-solid-state electrolytes for dye-sensitized solar cells

(2015) Asif Mahmood   Journal of Energy Chemistry

Improved molecular architecture of D–π–A carbazole dyes: 9% PCE with a cobalt redox shuttle in dye sensitized solar cells

(2015) Saurabh S. Soni et al.   Journal of Materials Chemistry A

Computational Designing of Triphenylamine Dyes with Broad and Red-shifted Absorption Spectra for Dye-sensitized Solar Cells using Multi-Thiophene Rings in π-Spacer

(2015) Asif Mahmood et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Organic Dyes Containing Carbazole as Donor and π-Linker: Optical, Electrochemical, and Photovoltaic Properties

(2014) A. Venkateswararao et al.   ACS Applied Materials & Interfaces

Computational study on the effects of substituent and heteroatom on physical properties and solar cell performance in donor-acceptor conjugated polymers based on benzodithiophene

(2014) Lvyong Zhang et al.   JOURNAL OF MOLECULAR MODELING

Red shifting of absorption maxima of phenothiazine based dyes by incorporating electron-deficient thiadiazole derivatives as π-spacer

(2014) Asif Mahmood et al.   Arabian Journal of Chemistry

Theoretical designing of novel heterocyclic azo dyes for dye sensitized solar cells

(2014) Asif Mahmood et al.   Journal of Computational Electronics

Quantum Chemical Designing of Efficient TC4-Based Sensitizers by Modification of Auxiliary Donor and π-Spacer

(2013) Muhammad Imran Abdullah et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Quantum Chemical Designing of Efficient Sensitizers for Dye Sensitized Solar Cells

(2013) Muhammad Imran Abdullah et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Photoelectrochemical properties of the CT1 dye: A DFT study

(2013) Bruno Camino et al.   JOURNAL OF MOLECULAR STRUCTURE

Substituent Effects on Physical and Photovoltaic Properties of 5,6-Difluorobenzo[c][1,2,5]thiadiazole-Based D–A Polymers: Toward a Donor Design for High Performance Polymer Solar Cells

(2013) Yan Wang et al.   MACROMOLECULES

Organic photovoltaics

(2013) Yu-Wei Su et al.   Materials Today

Quantum chemical study of the donor-bridge-acceptor triphenylamine based sensitizers

(2013) Ahmad Irfan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Triphenylamine-based organic dyes containing benzimidazole derivatives for dye-sensitized solar cells

(2012) Linlei Zhou et al.   DYES AND PIGMENTS

Theoretical Investigations on Donor–Acceptor Conjugated Copolymers Based on Naphtho[1,2-c:5,6-c]bis[1,2,5]thiadiazole for Organic Solar Cell Applications

(2012) Linghai Zhang et al.   Journal of Physical Chemistry C

Roll-to-roll fabrication of polymer solar cells

(2012) Roar Søndergaard et al.   Materials Today

Polymer solar cells

(2012) Gang Li et al.   Nature Photonics

Ultrathin and lightweight organic solar cells with high flexibility

(2012) Martin Kaltenbrunner et al.   Nature Communications

Multi-carbazole derivatives: new dyes for highly efficient dye-sensitized solar cells

(2012) Hua Lai et al.   RSC Advances

Organic non-fullerene acceptors for organic photovoltaics

(2011) Prashant Sonar et al.   Energy & Environmental Science

Ab Initio Modeling of Donor–Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene–Tetracyanoquinodimethane

(2011) Juan Aragó et al.   Journal of Chemical Theory and Computation

Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell

(2011) Yuanzuo Li et al.   Journal of Physical Chemistry C

Structure and electronic spectral property of coumarin–chalcone hybrids: A comparative study using conventional and long-range corrected hybrid functionals

(2011) Yunsheng Xue et al.   Computational and Theoretical Chemistry

Small-Molecule, Nonfullerene Acceptors for Polymer Bulk Heterojunction Organic Photovoltaics†

(2010) John E. Anthony   CHEMISTRY OF MATERIALS

Indoline dyes with various acceptors for dye-sensitized solar cells

(2010) Joo Young Kim et al.   CURRENT APPLIED PHYSICS

Photovoltaic Properties of Bulk Heterojunction Organic Solar Cell Composed of Coumarin 6 Dye as Light Harvester and Donor Material

(2010) Yasser A. M. Ismail et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Polymer–fullerene bulk heterojunction solar cells

(2010) Carsten Deibel et al.   REPORTS ON PROGRESS IN PHYSICS

Metal-free indoline dye sensitized solar cells based on nanocrystalline Zn2SnO4

(2009) Lihua Huang et al.   ELECTROCHEMISTRY COMMUNICATIONS

Organic photovoltaics

(2009) Bernard Kippelen et al.   Energy & Environmental Science

Tuning Electronic Properties of Functionalized Polyhedral Oligomeric Silsesquioxanes: A DFT and TDDFT Study

(2009) Chang-Gua Zhen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the origin of the open-circuit voltage of polymer–fullerene solar cells

(2009) Koen Vandewal et al.   NATURE MATERIALS

Solution processable D-A-D molecules based on triphenylamine for efficient organic solar cells

(2009) Huixia Shang et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

The Relation Between Open‐Circuit Voltage and the Onset of Photocurrent Generation by Charge‐Transfer Absorption in Polymer : Fullerene Bulk Heterojunction Solar Cells

(2008) Koen Vandewal et al.   ADVANCED FUNCTIONAL MATERIALS

Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

(2008) Adrian W. Lange et al.   JOURNAL OF PHYSICAL CHEMISTRY B