Designing of the indacenodithiophene core-based small molecules for optoelectronic applications: A DFT approach

Amplifying the photovoltaic properties of azaBODIPY core based small molecules by terminal acceptors modification for high performance organic solar cells: A DFT approach

(2022) Maham Salim et al.   SOLAR ENERGY

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

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

End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction

(2021) Fatiqa Zafar et al.   OPTICAL AND QUANTUM ELECTRONICS

Side‐Chain Engineering on Y‐Series Acceptors with Chlorinated End Groups Enables High‐Performance Organic Solar Cells

(2021) Yuzhong Chen et al.   Advanced Energy Materials

Therapeutic potential of graphyne as a new drug-delivery system for daunorubicin to treat cancer: A DFT study

(2021) Iqra Munir et al.   JOURNAL OF MOLECULAR LIQUIDS

Designing and theoretical study of fluorinated small molecule donor materials for organic solar cells

(2021) Usama Mubashar et al.   JOURNAL OF MOLECULAR MODELING

Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications

(2021) Saba Zahid et al.   JOURNAL OF MOLECULAR MODELING

End-capped engineering of bipolar diketopyrrolopyrrole based small electron acceptor molecules for high performance organic solar cells

(2021) Maria Akram et al.   Computational and Theoretical Chemistry

End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach

(2021) Mahira Rafiq et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Tuning the optoelectronic properties of ZOPTAN core-based derivatives by varying acceptors to increase efficiency of organic solar cell

(2021) Maham Salim et al.   JOURNAL OF MOLECULAR MODELING

Tuning the optoelectronic properties of benzodithiophene based donor materials and their photovoltaic applications

(2021) Ayesha Naveed et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Designing and comparative analysis of 3D subphthalocyanines based non-fullerene acceptor molecules as an efficient material for organic solar cells

(2021) Umer Yaqoob et al.   OPTIK

Rational Design and Characterization of Symmetry-Breaking Organic Semiconductors in Polymer Solar Cells: A Theory Insight of the Asymmetric Advantage

(2021) Zezhou Liang et al.   Materials

Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells

(2021) Muhammad Khalid et al.   Scientific Reports

Designing 2D fused ring materials for small molecules organic solar cells

(2020) Mamona Khalid et al.   Computational and Theoretical Chemistry

Modelling the Anti-Methicillin-Resistant Staphylococcus Aureus (MRSA) Activity of Cannabinoids: A QSAR and Docking Study

(2020) Eliceo Cortes et al.   Crystals

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

(2020) Muhammad Bilal Ahmed Siddique et al.   ChemistrySelect

Computational study of organic small molecules based on imidazolinone for photovoltaic applications

(2020) Abdelkhalk Aboulouard et al.   Energy Sources Part A-Recovery Utilization and Environmental Effects

Tuning the optoelectronic properties of Subphthalocyanine (SubPc) derivatives for photovoltaic applications

(2020) Afifa Farhat et al.   OPTICAL MATERIALS

Fused-Ring Electron Acceptors for Photovoltaics and Beyond

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

Efficient tuning of triphenylamine-based donor materials for high-efficiency organic solar cells

(2020) Sabir Ali Siddique et al.   Computational and Theoretical Chemistry

Investigating the effect of cosolvents on P3HT/O-IDTBR film-forming kinetics and film morphology

(2020) Jiangang Liu et al.   Journal of Energy Chemistry

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

Toward development of high-performance perovskite solar cells based on CH3NH3GeI3 using computational approach

(2019) Ahmed-Ali Kanoun et al.   SOLAR ENERGY

Designing dithienothiophene (DTT)-based donor materials with efficient photovoltaic parameters for organic solar cells

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

On the Relation between the Open‐Circuit Voltage and Quasi‐Fermi Level Splitting in Efficient Perovskite Solar Cells

(2019) Pietro Caprioglio et al.   Advanced Energy Materials

The effect of polymer molecular weight on the performance of PTB7-Th:O-IDTBR non-fullerene organic solar cells

(2018) Sebastian F. Hoefler et al.   Journal of Materials Chemistry A

How to interpret absorption and fluorescence spectra of charge transfer states in an organic solar cell

(2018) Frank-Julian Kahle et al.   Materials Horizons

Theoretical Calculations of the Optical and Electronic Properties of Dithienosilole- and Dithiophene-Based Donor Materials for Organic Solar Cells

(2018) Farah Manzoor et al.   ChemistrySelect

Material insights and challenges for non-fullerene organic solar cells based on small molecular acceptors

(2018) Jianquan Zhang et al.   Nature Energy

Closely packed, low reorganization energy π-extended postfullerene acceptors for efficient polymer solar cells

(2018) Steven M. Swick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Highly efficient and thermally stable fullerene-free organic solar cells based on a small molecule donor and acceptor

(2016) Sachin Badgujar et al.   Journal of Materials Chemistry A

Thiazolo[5,4-d]thiazole-based organic sensitizers with strong visible light absorption for transparent, efficient and stable dye-sensitized solar cells

(2015) Alessio Dessì et al.   RSC Advances

Single-Junction Polymer Solar Cells Exceeding 10% Power Conversion Efficiency

(2014) Jing-De Chen et al.   ADVANCED MATERIALS

Organic Light Detectors: Photodiodes and Phototransistors

(2013) Kang-Jun Baeg et al.   ADVANCED MATERIALS

Response electric properties of α-helix polyglycines: A CAM-B3LYP DFT investigation

(2013) Andrea Alparone   CHEMICAL PHYSICS 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

Layered semiconductor molybdenum disulfide nanomembrane based Schottky-barrier solar cells

(2012) Mariyappan Shanmugam et al.   Nanoscale

Fermi energy level tuning for high performance dye sensitized solar cells using sp2 selective nitrogen-doped carbon nanotube channels

(2012) Ga In Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

mPW1PW91 Calculated Structures and IR Spectra of Thiacalix[4]biscrown-5 Complexed with Alkali Metal Ions

(2011) Jong-In Choe   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Is the Use of Renewable Energy Sources an Answer to the Problems of Global Warming and Pollution?

(2011) TASNEEM ABBASI et al.   CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY

A computational study on optimal design for organic tandem solar cells

(2011) Young Min Nam et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules

(2008) Julian Tirado-Rives et al.   Journal of Chemical Theory and Computation