Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency 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

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

(2020) Shahid Hussain et al.   ACS Omega

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 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

Asymmetric push-pull small molecules with auxiliary electron-accepting unit for bulk heterojunction organic solar cells

(2019) Ying Chen et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

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

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

Alloy Acceptor: Superior Alternative to PCBM toward Efficient and Stable Organic Solar Cells

(2016) Pei Cheng et al.   ADVANCED MATERIALS

Acceptor End-Capped Oligomeric Conjugated Molecules with Broadened Absorption and Enhanced Extinction Coefficients for High-Efficiency Organic Solar Cells

(2016) Liu Yuan et al.   ADVANCED MATERIALS

Terminal Modulation of D−π–A Small Molecule for Organic Photovoltaic Materials: A Theoretical Molecular Design

(2016) Yahui Cui et al.   Journal of Physical Chemistry C

Manipulation of the electronic and photovoltaic properties of materials based on small push-pull molecules by substitution of the arylamine donor block by aliphatic groups

(2016) Yue Jiang et al.   ORGANIC ELECTRONICS

Thieno[2,3-b]indole-Based Small Push–Pull Chromophores: Synthesis, Structure, and Electronic Properties

(2016) François Baert et al.   ORGANIC LETTERS

One-Step Synthesis of Precursor Oligomers for Organic Photovoltaics: A Comparative Study between Polymers and Small Molecules

(2015) Wei Li et al.   ACS Applied Materials & Interfaces

A-D-A-Type Oligothiophenes for Small Molecule Organic Solar Cells: Extending the π-System by Introduction of Ring-Locked Double Bonds

(2015) Roland Fitzner et al.   ADVANCED FUNCTIONAL MATERIALS

One step synthesis of D-A-D chromophores as active materials for organic solar cells by basic condensation

(2015) Victorien Jeux et al.   DYES AND PIGMENTS

Star-shaped organic semiconductors with planar triazine core and diketopyrrolopyrrole branches for solution-processed small-molecule organic solar cells

(2015) Sheng-Yi Shiau et al.   DYES AND PIGMENTS

A Series of Simple Oligomer-like Small Molecules Based on Oligothiophenes for Solution-Processed Solar Cells with High Efficiency

(2015) Bin Kan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A-D-A-typeS,N-Heteropentacenes: Next-Generation Molecular Donor Materials for Efficient Vacuum-Processed Organic Solar Cells

(2014) Amaresh Mishra et al.   ADVANCED MATERIALS

High performance asymmetrical push–pull small molecules end-capped with cyanophenyl for solution-processed solar cells

(2014) Hang Gao et al.   CHEMICAL COMMUNICATIONS

Design and Properties of Intermediate-Sized Narrow Band-Gap Conjugated Molecules Relevant to Solution-Processed Organic Solar Cells

(2014) Xiaofeng Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small-molecule solar cells with efficiency over 9%

(2014) Qian Zhang et al.   Nature Photonics

Design and Synthesis of Molecular Donors for Solution-Processed High-Efficiency Organic Solar Cells

(2013) Jessica E. Coughlin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Density functional theory design and characterization of D–A–A type electron donors with narrow band gap for small-molecule organic solar cells

(2013) Dongmei Wang et al.   Computational and Theoretical Chemistry

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

Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology

(2012) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Small molecule semiconductors for high-efficiency organic photovoltaics

(2012) Yuze Lin et al.   CHEMICAL SOCIETY REVIEWS

Evaluation of Acceptor Strength in Thiophene Coupled Donor–Acceptor Chromophores for Optimal Design of Organic Photovoltaic Materials

(2012) Muhammet E. Köse   JOURNAL OF PHYSICAL CHEMISTRY A

Efficient Organic Semiconductors Containing Fluorine-Substituted Benzothiadiazole for Solution-Processed Small Molecule Organic Solar Cells

(2012) Sanghyun Paek et al.   Journal of Physical Chemistry C

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

Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization

(2012) Yi-Hong Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Low-Energy-Gap Organic Dye for High-Performance Small-Molecule Organic Solar Cells

(2011) Li-Yen Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Simultaneous determination of carrier lifetime and electron density-of-states in P3HT:PCBM organic solar cells under illumination by impedance spectroscopy

(2009) Germà Garcia-Belmonte et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

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