Structural modification on Dimethoxythienothiophene based non-fullerene acceptor molecule for construction of high-performance organic chromophores by employing 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

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency

(2022) Asif Mahmood et al.   Journal of Materials Chemistry A

Tuning the optoelectronic properties of indacenodithiophene based derivatives for efficient photovoltaic applications: A DFT approach

(2022) Iqra Zubair et al.   CHEMICAL PHYSICS LETTERS

Tuning of diphenylamine subphthalocyanine based small molecules with efficient photovoltaic parameters for organic solar cells

(2022) Muhammad Rais Aslam et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach

(2022) Muhammad Imran Khan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Simultaneously enhanced efficiency of eco-friendly structural characterization of the dithienocyclopentacarbazole donor based acceptors with narrow bandgap for high-performance organic solar cells

(2022) Muhammad Ans et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Quantum chemical study of end-capped acceptor and bridge on triphenyl diamine based molecules to enhance the optoelectronic properties of organic solar cells

(2022) Kinza Jaffar et al.   POLYMER

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

(2022) Sahar Javaid Akram et al.   SOLAR ENERGY

Impact of side-chain engineering on the A-π-D-π-A type SM-BF1 donor molecule for bulk heterojunction and their photovoltaic performance: A DFT approach

(2022) Sahar Javaid Akram et al.   SOLAR ENERGY

Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells

(2022) Muhammad Waqas et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

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

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

Side-chain engineering of copolymers based on benzotriazole (BTA) and dithieno[2,3-d;2′,3′-d′]benzo[1,2-b;4,5-b′]dithiophenes (DTBDT) enables a high PCE of 14.6%

(2021) Jialing Zhou et al.   NANOTECHNOLOGY

Fabrication of High VOC Organic Solar Cells with a Non-Halogenated Solvent and the Effect of Substituted Groups for “Same-A-Strategy” Material Combinations

(2021) Tingting Dai et al.   ACS Applied Materials & Interfaces

Fluorination of the Quinoxaline-Based p-Type Polymer and n-Type Small Molecule for High VOC Organic Solar Cells

(2021) Hongru Ji et al.   Journal of Physical Chemistry C

Two‐Dimensional Conjugated Benzo[1,2‐ b :4,5‐ b ′]diselenophene‐Based Copolymer Donor Enables Large Open‐Circuit Voltage and High Efficiency in Selenophene‐based Organic Solar Cells

(2021) Yan‐Qiang Liu et al.   ChemSusChem

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

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

Simple, reliable, and universal metrics of molecular planarity

(2021) Tian Lu   JOURNAL OF MOLECULAR MODELING

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

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

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

Benzothiadiazole-based non-fullerene acceptors

(2021) Qingling Nie et al.   Nano Energy

P3HT-Based Organic Solar Cells with a Photoresponse to 1000 nm Enabled by Narrow Band Gap Nonfullerene Acceptors with High HOMO Levels

(2021) Ziqi Liang et al.   ACS Applied Materials & Interfaces

Effects of Halogenation on the Benzotriazole Unit of Non-Fullerene Acceptors in Organic Solar Cells with High Voltages

(2021) Tingting Dai et al.   ACS Applied Materials & Interfaces

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

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

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

18.4% efficiency achieved by the cathode interface engineering in non-fullerene polymer solar cells

(2021) Yang Qin et al.   Nano Today

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

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

Realizing high-performance organic solar cells through precise control of HOMO driving force based on ternary alloy strategy

(2021) Ji Wan et al.   Journal of Energy Chemistry

Elucidating the role of the heterojunction interface in the exciton harvest and charge collection of organic solar cells through a planar heterojunction structure

(2021) Quanbin Liang et al.   Journal of Materials Chemistry C

Tuning of a A–A–D–A–A-Type Small Molecule with Benzodithiophene as a Central Core with Efficient Photovoltaic Properties for Organic Solar Cells

(2021) Urwah Azeem et al.   ACS Omega

Theoretical Studies of Photophysical Properties of D−π−A−π−D-Type Diketopyrrolopyrrole-Based Molecules for Organic Light-Emitting Diodes and Organic Solar Cells

(2020) Ruifa Jin et al.   MOLECULES

New Phase for Organic Solar Cell Research: Emergence of Y-Series Electron Acceptors and Their Perspectives

(2020) Shuixing Li et al.   ACS Energy Letters

Applying Marcus theory to describe the carrier transports in organic semiconductors: Limitations and beyond

(2020) Zhigang Shuai et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Nonfullerene All‐Small‐Molecule Organic Solar Cells: Prospect and Limitation

(2020) Weiyu Ye et al.   Solar RRL

Isatin-derived non-fullerene acceptors for efficient organic solar cells

(2020) Irfan Yousaf et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

(2019) Yong Cui et al.   ADVANCED MATERIALS

Photovoltaic and Charge Transport Behavior of Diketopyrrolopyrrole Based Compounds with A–D–A–D–A Skeleton

(2019) Asif Mahmood   JOURNAL OF CLUSTER SCIENCE

14.7% Efficiency Organic Photovoltaic Cells Enabled by Active Materials with a Large Electrostatic Potential Difference

(2019) Huifeng Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

All-small-molecule organic solar cells with over 14% efficiency by optimizing hierarchical morphologies

(2019) Ruimin Zhou et al.   Nature Communications

Quinoxaline-Containing Nonfullerene Small-Molecule Acceptors with a Linear A2-A1-D-A1-A2 Skeleton for Poly(3-hexylthiophene)-Based Organic Solar Cells

(2018) Bo Xiao et al.   ACS Applied Materials & Interfaces

Critical review of the molecular design progress in non-fullerene electron acceptors towards commercially viable organic solar cells

(2018) Andrew Wadsworth et al.   CHEMICAL SOCIETY REVIEWS

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

Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles

(2018) Jiong Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

High performance non-fullerene polymer solar cells based on PTB7-Th as the electron donor with 10.42% efficiency

(2018) Jia Sun et al.   Journal of Materials Chemistry A

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

(2018) Jianquan Zhang et al.   Nature Energy

Non-fullerene acceptors for organic solar cells

(2018) Cenqi Yan et al.   Nature Reviews Materials

Recent progress in porphyrin-based materials for organic solar cells

(2018) Asif Mahmood et al.   Journal of Materials Chemistry A

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

(2018) Muhammad Ans et al.   ChemistrySelect

Theoretical Design of Perylene Diimide Dimers with Different Linkers and Bridged Positions as Promising Non-Fullerene Acceptors for Organic Photovoltaic Cells

(2017) Hang Yin et al.   Journal of Physical Chemistry C

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells

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

Recent Advances in Nonfullerene Acceptors for Organic Solar Cells

(2017) Fuchuan Liu et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Evaluation of photovoltaic properties and effective conjugated length of DTTTD-based polymers as donor in BHJ solar cells; quantum chemical approach

(2017) Azar Ostovan et al.   POLYMER

Light Harvesting for Organic Photovoltaics

(2016) Gordon J. Hedley et al.   CHEMICAL REVIEWS

Effect of fluorination and symmetry on the properties of polymeric photovoltaic materials based on an asymmetric building block

(2016) Xiaochen Wang et al.   RSC Advances

High efficiency and stability small molecule solar cells developed by bulk microstructure fine-tuning

(2016) Jie Min et al.   Nano Energy

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

(2015) Yuze Lin et al.   ADVANCED MATERIALS

Design of donors with broad absorption regions and suitable frontier molecular orbitals to match typical acceptors via substitution on oligo(thienylenevinylene) toward solar cells

(2012) Shanshan Tang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Multiwfn: A multifunctional wavefunction analyzer

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

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