End-capped modification of Y-Shaped dithienothiophen[3,2-b]-pyrrolobenzothiadiazole (TPBT) based non-fullerene acceptors for high performance organic solar cells by using DFT approach

Achieving 16.68% efficiency ternary as-cast organic solar cells

(2021) Ruijie Ma et al.   Science China-Chemistry

Designing of small molecule non-fullerene acceptors with cyanobenzene core for photovoltaic application

(2021) Rabia Saleem et al.   Computational and Theoretical Chemistry

Rational Anode Engineering Enables Progresses for Different Types of Organic Solar Cells

(2021) Ruijie Ma et al.   Advanced Energy Materials

Triphenylamine based donor-acceptor-donor type small molecules for organic solar cells

(2021) Sadaf Bibi et al.   Computational and Theoretical Chemistry

Tuning the optoelectronic properties of oligothienyl silane derivatives and their photovoltaic properties

(2021) Rubab Sikandar et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Tuning the optoelectronic properties of dibenzochrysene (DBC) based small molecules for organic solar cells

(2021) Arooba Sharif et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

New non-fullerene electron acceptors-based on quinoxaline derivatives for organic photovoltaic cells: DFT computational study

(2021) Abdelkhalk Aboulouard et al.   SYNTHETIC METALS

Deciphering the role of invited guest bridges in non-fullerene acceptor materials for high performance organic solar cells

(2021) Muhammad Ramzan Saeed Ashraf Janjua   SYNTHETIC METALS

Computational and theoretical study of subphthalocyanine based derivatives by varying acceptors to increase the efficiency of organic solar cells

(2021) Rida Tariq et al.   Computational and Theoretical Chemistry

Tuning the optoelectronic properties of scaffolds by using variable central core unit and their photovoltaic applications

(2021) Mahira Rafiq et al.   CHEMICAL PHYSICS LETTERS

Structural, optical and photovoltaic properties of unfused Non-Fullerene acceptors for efficient solution processable organic solar cell (Estimated PCE greater than 12.4%): A DFT approach

(2021) Umer Yaqoob et al.   JOURNAL OF MOLECULAR LIQUIDS

Optoelectronic properties of naphthalene bis-benzimidazole based derivatives and their photovoltaic applications

(2021) Mahnoor Javed et al.   Computational and Theoretical Chemistry

Designing small organic non-fullerene acceptor molecules with diflorobenzene or quinoline core and dithiophene donor moiety through density functional theory

(2021) Ghulam Bary et al.   Scientific Reports

Improving open-circuit voltage by a chlorinated polymer donor endows binary organic solar cells efficiencies over 17%

(2020) Ruijie Ma et al.   Science China-Chemistry

18% Efficiency organic solar cells

(2020) Qishi Liu et al.   Science Bulletin

Asymmetric Acceptors with Fluorine and Chlorine Substitution for Organic Solar Cells toward 16.83% Efficiency

(2020) Tao Liu et al.   ADVANCED FUNCTIONAL MATERIALS

The Bulk Heterojunction in Organic Photovoltaic, Photodetector, and Photocatalytic Applications

(2020) Andrew Wadsworth et al.   ADVANCED MATERIALS

Ladder‐Type Heteroheptacenes with Different Heterocycles for Nonfullerene Acceptors

(2020) Qingdong Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Designing of benzothiazole based non-fullerene acceptor (NFA) molecules for highly efficient organic solar cells

(2020) Rao Aqil Shehzad et al.   Computational and Theoretical Chemistry

Designing Triphenylamine‐Configured Donor Materials with Promising Photovoltaic Properties for Highly Efficient Organic Solar Cells

(2020) Muhammad Bilal Ahmed Siddique et al.   ChemistrySelect

Fine-Tuning Energy Levels via Asymmetric End Groups Enables Polymer Solar Cells with Efficiencies over 17%

(2020) Zhenghui Luo et al.   Joule

Solution‐Processed Organic Solar Cells with High Open‐Circuit Voltage of 1.3 V and Low Non‐Radiative Voltage Loss of 0.16 V

(2020) Ning An et al.   ADVANCED MATERIALS

Tuning the intermolecular interaction of A2-A1-D-A1-A2 type non-fullerene acceptors by substituent engineering for organic solar cells with ultrahigh VOC of ∼1.2 V

(2020) Xiaochen Wang et al.   Science China-Chemistry

Rational design of naphthalimide based small molecules non-fullerene acceptors for organic solar cells

(2020) Faiza Jilani et al.   Computational and Theoretical Chemistry

Designing Star-Shaped Subphthalocyanine-Based Acceptor Materials with Promising Photovoltaic Parameters for Non-fullerene Solar Cells

(2020) Muhammad Usman Khan et al.   ACS Omega

Fused-Ring Electron Acceptors for Photovoltaics and Beyond

(2020) Jiayu Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH

First theoretical framework of Z-shaped acceptor materials with fused-chrysene core for high performance organic solar cells

(2020) Muhammad Usman Khan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells

(2020) Muhammad Yasir Mehboob et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Designing benzothiadiazole based non-fullerene acceptors with high open circuit voltage and higher LUMO level to increase the efficiency of organic solar cells

(2020) Amna Khalid et al.   OPTIK

Fused Benzothiadiazole: A Building Block for n‐Type Organic Acceptor to Achieve High‐Performance Organic Solar Cells

(2019) Jun Yuan et al.   ADVANCED MATERIALS

Achieving Over 15% Efficiency in Organic Photovoltaic Cells via Copolymer Design

(2019) Yong Cui et al.   ADVANCED MATERIALS

Benzotriazole-Based Acceptor and Donors, Coupled with Chlorination, Achieve a High VOC of 1.24 V and an Efficiency of 10.5% in Fullerene-Free Organic Solar Cells

(2019) Ailing Tang et al.   CHEMISTRY OF MATERIALS

Tuning opto-electronic properties of alkoxy-induced based electron acceptors in infrared region for high performance organic solar cells

(2019) Muhammad Ans et al.   JOURNAL OF MOLECULAR LIQUIDS

Side chain engineering of quinoxaline-based small molecular nonfullerene acceptors for high-performance poly(3-hexylthiophene)-based organic solar cells

(2019) Bo Xiao et al.   Science China-Chemistry

Design and synthesis of dopant-free organic hole-transport materials for perovskite solar cells

(2018) Licheng Sun et al.   CHEMICAL COMMUNICATIONS

Charge Transfer and Aggregation Effects on the Performance of Planar vs Twisted Nonfullerene Acceptor Isomers for Organic Solar Cells

(2018) Benedetta Carlotti et al.   CHEMISTRY OF MATERIALS

A Wide Band Gap Polymer with a Deep Highest Occupied Molecular Orbital Level Enables 14.2% Efficiency in Polymer Solar Cells

(2018) Sunsun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Organic solar cells based on non-fullerene acceptors

(2018) Jianhui Hou et al.   NATURE MATERIALS

Next-generation organic photovoltaics based on non-fullerene acceptors

(2018) Pei Cheng et al.   Nature Photonics

Non-fullerene acceptors for organic solar cells

(2018) Cenqi Yan et al.   Nature Reviews Materials

End-chain effects of non-fullerene acceptors on polymer solar cells

(2018) Lu-Ming Tang et al.   ORGANIC ELECTRONICS

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells

(2017) Wenchao Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

(2015) Yuze Lin et al.   ADVANCED MATERIALS

Computational Screening of 2D Materials for Photocatalysis

(2015) Arunima K. Singh et al.   Journal of Physical Chemistry Letters

Organic Dye Design Tools for Efficient Photocurrent Generation in Dye-Sensitized Solar Cells: Exciton Binding Energy and Electron Acceptors

(2012) Bong-Gi Kim et al.   ADVANCED FUNCTIONAL MATERIALS

Solar Cell Efficiency, Self-Assembly, and Dipole–Dipole Interactions of Isomorphic Narrow-Band-Gap Molecules

(2012) Christopher J. Takacs et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Time-dependent transition density matrix

(2011) Yonghui Li et al.   CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

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

Excitons in organic semiconductors

(2011) Ahmed Dkhissi   SYNTHETIC METALS

For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4%

(2010) Yongye Liang et al.   ADVANCED MATERIALS

Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations

(2010) S. Ramalingam et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY