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

Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells

(2020) Zainab Afzal et al.   JOURNAL OF MOLECULAR MODELING

Enhancement in Photovoltaic Properties of N , N ‐diethylaniline based Donor Materials by Bridging Core Modifications for Efficient Solar Cells

(2020) Riaz Hussain et al.   ChemistrySelect

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study

(2020) Shahid Hussain et al.   ACS Omega

Designing spirobifullerene core based three‐dimensional cross shape acceptor materials with promising photovoltaic properties for high‐efficiency organic solar cells

(2020) Muhammad Usman Khan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells

(2020) Riaz Hussain et al.   OPTICAL AND QUANTUM ELECTRONICS

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

(2020) Muhammad Bilal Ahmed Siddique et al.   ChemistrySelect

Designing Novel Zn-Decorated Inorganic B12P12 Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO2 Sensing Materials

(2020) Shahid Hussain et al.   ACS Omega

Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells

(2020) Muhammad Yasir Mehboob et al.   Computational and Theoretical Chemistry

Prediction of Second-Order Nonlinear Optical Properties of D–π–A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities

(2019) Muhammad Usman Khan et al.   JOURNAL OF CLUSTER SCIENCE

15% Efficiency Tandem Organic Solar Cell Based on a Novel Highly Efficient Wide‐Bandgap Nonfullerene Acceptor with Low Energy Loss

(2019) Gongchu Liu et al.   Advanced Energy Materials

Achieving over 16% efficiency for single-junction organic solar cells

(2019) Baobing Fan et al.   Science China-Chemistry

Quantum chemical designing of indolo[3,2,1-jk]carbazole-based dyes for highly efficient nonlinear optical properties

(2019) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

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

(2019) Yong Cui et al.   ADVANCED MATERIALS

Fused Tris(thienothiophene)-Based Electron Acceptor with Strong Near-Infrared Absorption for High-Performance As-Cast Solar Cells

(2018) Tengfei Li et al.   ADVANCED MATERIALS

Fine-Tuning of Molecular Packing and Energy Level through Methyl Substitution Enabling Excellent Small Molecule Acceptors for Nonfullerene Polymer Solar Cells with Efficiency up to 12.54%

(2018) Zhenghui Luo et al.   ADVANCED MATERIALS

First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers

(2018) Muhammad Usman Khan et al.   Journal of Physical Chemistry C

Effect of Isomerization on High-Performance Nonfullerene Electron Acceptors

(2018) Jiayu Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Halogenation Strategy for over 12% Efficiency Nonfullerene Organic Solar Cells

(2018) Yanbo Wang et al.   Advanced Energy Materials

Near-Infrared Electron Acceptors with Fluorinated Regioisomeric Backbone for Highly Efficient Polymer Solar Cells

(2018) Fang-Xiao Chen et al.   ADVANCED MATERIALS

First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications

(2018) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

Designing Three-dimensional (3D) Non-Fullerene Small Molecule Acceptors with Efficient Photovoltaic Parameters

(2018) Muhammad Ans et al.   ChemistrySelect

Fused Nonacyclic Electron Acceptors for Efficient Polymer Solar Cells

(2017) Shuixing Dai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells

(2017) Muhammad Adnan et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Modulating the Molecular Packing and Nanophase Blending via a Random Terpolymerization Strategy toward 11% Efficiency Nonfullerene Polymer Solar Cells

(2017) Shanshan Chen et al.   Advanced Energy Materials

Feasible D1-A-D2-A Random Copolymers for Simultaneous High-Performance Fullerene and Nonfullerene Solar Cells

(2017) Mingyu Jeong et al.   Advanced Energy Materials

A Facile Planar Fused-Ring Electron Acceptor for As-Cast Polymer Solar Cells with 8.71% Efficiency

(2016) Yuze Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oligomer Molecules for Efficient Organic Photovoltaics

(2015) Yuze Lin et al.   ACCOUNTS OF CHEMICAL RESEARCH

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

(2015) Yuze Lin et al.   ADVANCED MATERIALS

Molecular Design of Photovoltaic Materials for Polymer Solar Cells: Toward Suitable Electronic Energy Levels and Broad Absorption

(2012) Yongfang Li   ACCOUNTS OF CHEMICAL RESEARCH

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

What Makes Fullerene Acceptors Special as Electron Acceptors in Organic Solar Cells and How to Replace Them

(2012) Tao Liu et al.   ADVANCED MATERIALS

Small molecule semiconductors for high-efficiency organic photovoltaics

(2012) Yuze Lin et al.   CHEMICAL SOCIETY REVIEWS

Excitons in organic semiconductors

(2011) Ahmed Dkhissi   SYNTHETIC METALS

Practical computation of electronic excitation in solution: vertical excitation model

(2011) Aleksandr V. Marenich et al.   Chemical Science

Dipole assisted exciton dissociation at conjugated polymer/fullerene photovoltaic interfaces: A molecular study using density functional theory calculations

(2010) C.F.N. Marchiori et al.   SYNTHETIC METALS

Development of Novel Conjugated Donor Polymers for High-Efficiency Bulk-Heterojunction Photovoltaic Devices

(2009) Junwu Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM