Accelerated discovery of high-efficient N-annulated perylene organic sensitizers for solar cells via machine learning and quantum chemistry

A Low-Energy-Gap Thienochrysenocarbazole Dye for Highly Efficient Mesoscopic Titania Solar Cells: Understanding the Excited State and Charge Carrier Dynamics

(2018) Junting Wang et al.   ChemSusChem

Theoretical screening and design of SM315-based porphyrin dyes for highly efficient dye-sensitized solar cells with near-IR light harvesting

(2018) Yan Fu et al.   DYES AND PIGMENTS

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Systematic assessment of cervical cancer initiation and progression uncovers genetic panels for deep learning-based early diagnosis and proposes novel diagnostic and prognostic biomarkers

(2017) Nguyen Phuoc Long et al.   Oncotarget

Judicious engineering of a metal-free perylene dye for high-efficiency dye sensitized solar cells: the control of excited state and charge carrier dynamics

(2017) Lin Yang et al.   Journal of Materials Chemistry A

In silico designing of power conversion efficient organic lead dyes for solar cells using todays innovative approaches to assure renewable energy for future

(2017) Supratik Kar et al.   npj Computational Materials

A Systematic Study on the Influence of Electron-Acceptors in Phenanthrocarbazole Dye-Sensitized Solar Cells

(2016) Lin Yang et al.   ACS Applied Materials & Interfaces

Improving the performance of dye-sensitized solar cells with electron-donor and electron-acceptor characteristic of planar electronic skeletons

(2016) Yameng Ren et al.   Energy & Environmental Science

Correction: MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

(2016) Haoyu S. Yu et al.   Chemical Science

MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

(2016) Haoyu S. Yu et al.   Chemical Science

Porphyrin Sensitizers with Donor Structural Engineering for Superior Performance Dye-Sensitized Solar Cells and Tandem Solar Cells for Water Splitting Applications

(2016) Sung Ho Kang et al.   Advanced Energy Materials

Push–pull type alkoxy-wrapped N-annulated perylenes for dye-sensitized solar cells

(2016) Qingbiao Qi et al.   RSC Advances

Unlocking the effects of ancillary electron-donors on light absorption and charge recombination in phenanthrocarbazole dye-sensitized solar cells

(2016) Heng Wu et al.   Journal of Materials Chemistry A

N-Annulated perylene as a donor in cyclopentadithiophene based sensitizers: the effect of the linking mode

(2016) Jie Luo et al.   Journal of Materials Chemistry C

A Metal-Free N-Annulated Thienocyclopentaperylene Dye: Power Conversion Efficiency of 12 % for Dye-Sensitized Solar Cells

(2015) Zhaoyang Yao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

New D–A–π–A organic sensitizers for efficient dye-sensitized solar cells

(2015) Xiangguang Li et al.   CHEMICAL COMMUNICATIONS

N-Annulated perylene-based metal-free organic sensitizers for dye-sensitized solar cells

(2015) Liu Yang et al.   CHEMICAL COMMUNICATIONS

A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes

(2015) Vishwesh Venkatraman et al.   DYES AND PIGMENTS

A structurally simple perylene dye with ethynylbenzothiadiazole-benzoic acid as the electron acceptor achieves an over 10% power conversion efficiency

(2015) Zhaoyang Yao et al.   Energy & Environmental Science

Dithienopicenocarbazole as the kernel module of low-energy-gap organic dyes for efficient conversion of sunlight to electricity

(2015) Zhaoyang Yao et al.   Energy & Environmental Science

A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all-organic dye-sensitized solar cells

(2015) Hongzhi Li et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Donor/Acceptor Indenoperylene Dye for Highly Efficient Organic Dye-Sensitized Solar Cells

(2015) Zhaoyang Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N-Annulated Perylene-Based Push–Pull-Type Sensitizers

(2015) Qingbiao Qi et al.   ORGANIC LETTERS

Efficient Triarylamine–Perylene Dye-Sensitized Solar Cells: Influence of Triple-Bond Insertion on Charge Recombination

(2014) Cancan Yan et al.   ACS Applied Materials & Interfaces

Electron-Acceptor-Dependent Light Absorption and Charge-Transfer Dynamics in N-Annulated Perylene Dye-Sensitized Solar Cells

(2014) Lin Yang et al.   Journal of Physical Chemistry C

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers

(2014) Simon Mathew et al.   Nature Chemistry

N-Annulated Perylene as a Coplanar π-Linker Alternative to Benzene as a Low Energy-Gap, Metal-Free Dye in Sensitized Solar Cells

(2014) Zhaoyang Yao et al.   Advanced Energy Materials

Rational design of Co-based redox mediators for dye-sensitized solar cells by density functional theory

(2014) Zhu-Zhu Sun et al.   RSC Advances

Unraveling the Pivotal Impacts of Electron-Acceptors on Light Absorption and Carrier Photogeneration in Perylene Dye Sensitized Solar Cells

(2014) Min Zhang et al.   ACS Photonics

Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?

(2012) Todd M. Martin et al.   Journal of Chemical Information and Modeling

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

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

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

(2011) Tangui Le Bahers et al.   Journal of Chemical Theory and Computation

Multiwfn: A multifunctional wavefunction analyzer

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

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

Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation

(2010) Filippo De Angelis   CHEMICAL PHYSICS LETTERS

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

TiO2Band Shift by Nitrogen-Containing Heterocycles in Dye-Sensitized Solar Cells:  a Periodic Density Functional Theory Study

(2008) Hitoshi Kusama et al.   LANGMUIR

Structurally Simple Dipolar Organic Dyes Featuring 1,3-Cyclohexadiene Conjugated Unit for Dye-Sensitized Solar Cells

(2008) Kuan-Fu Chen et al.   ORGANIC LETTERS