Amplifying the photovoltaic properties of phenylene dithiophene core based non-fused ring by engineering the terminal acceptors modification to enhance the efficiency of organic solar cells.
暂无分享,去创建一个
I. Yahia | R. Khera | S. Nasr | Ehsan Ullah Rashid | Naifa S. Alatawi | J. Iqbal | R. F. Mehmood | Ahmad Raza
[1] R. Khera,et al. Modified optoelectronic parameters by end-group engineering of A-D-A type non-fullerene-based small symmetric acceptors constituting IBDT core for high-performance photovoltaics , 2023, Journal of Physics and Chemistry of Solids.
[2] R. Khera,et al. End-cap modeling on the thienyl-substituted benzodithiophene trimer-based donor molecule for achieving higher photovoltaic performance. , 2023, Journal of molecular graphics & modelling.
[3] R. Khera,et al. Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cells. , 2023, Journal of molecular graphics & modelling.
[4] Ahmed M. Shawky,et al. Theoretical framework for achieving high Voc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics , 2023, RSC advances.
[5] G. Sharma,et al. Harnessing the Structure-Performance Relationships in Designing Non-Fused Ring Acceptors for Organic Solar Cells. , 2023, Angewandte Chemie.
[6] Ahmed M. Shawky,et al. Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential , 2023, RSC advances.
[7] Rasheed Ahmad Khera,et al. End-group engineering of non-fused benzothiadiazol derivatives with thiophene rings based small donor molecules for tuning the photovoltaic properties via DFT approach , 2022, Computational and Theoretical Chemistry.
[8] Ahmed M. Shawky,et al. Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approach , 2022, Journal of Molecular Modeling.
[9] S. Zahid,et al. Designing easily synthesizable non-fused small acceptors for organic solar cells , 2022, Solar Energy.
[10] Ahmed M. Shawky,et al. End-group Modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells , 2022, Journal of Molecular Liquids.
[11] Riaz Hussain,et al. Development of non-fused acceptor materials with 3D-Interpenetrated structure for stable and efficient organic solar cells , 2022, Materials Science in Semiconductor Processing.
[12] Ahmed M. Shawky,et al. Quantum chemical modification of indaceno dithiophene-based small acceptor molecules with enhanced photovoltaic aspects for highly efficient organic solar cells , 2022, RSC advances.
[13] Ahmed M. Shawky,et al. Designing of symmetrical A-D-A type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational approach , 2022, Computational and Theoretical Chemistry.
[14] Ahmed M. Shawky,et al. Engineering of W-shaped benzodithiophenedione-based small molecular acceptors with improved optoelectronic properties for high efficiency organic solar cells , 2022, RSC advances.
[15] Bumjoon J. Kim,et al. Benzotriazole-Based Non-Fused Ring Acceptors for Efficient and Thermally Stable Organic Solar Cells. , 2022, Macromolecular rapid communications.
[16] R. Khera,et al. Impact of end capped modification on BT-CIC molecule for high-performance photovoltaic attributes: a DFT approach , 2022, Journal of Molecular Modeling.
[17] Yinhua Zhou,et al. Molecular Insights of Non-fused Ring Acceptors for High-Performance Non-fullerene Organic Solar Cells. , 2022, Chemistry.
[18] Ahmed M. Shawky,et al. Structural modification on Dimethoxythienothiophene based non-fullerene acceptor molecule for construction of high-performance organic chromophores by employing DFT approach , 2022, Journal of Physics and Chemistry of Solids.
[19] Jiadong Zhou,et al. Noncovalent Interactions Induced by Fluorination of the Central Core Improve the Photovoltaic Performance of A-D-A′-D-A-Type Nonfused Ring Acceptors , 2022, ACS Applied Energy Materials.
[20] Ahmed M. Shawky,et al. Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells. , 2022, Journal of molecular graphics & modelling.
[21] Zonish Zeb,et al. An optoelectronic study to design better benzodithiophene (BDT) donor unit based non-fullerene organic solar cells (OSCs): the DFT approaches , 2022, Chemical Papers.
[22] K. Ayub,et al. Synergistic end-capped engineering on non-fused thiophene ring-based acceptors to enhance the photovoltaic properties of organic solar cells , 2022, RSC advances.
[23] Riaz Hussain,et al. Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells , 2022, Journal of Molecular Modeling.
[24] Xinhui Lu,et al. A Vinylene‐Linker‐Based Polymer Acceptor Featuring a Coplanar and Rigid Molecular Conformation Enables High‐Performance All‐Polymer Solar Cells with Over 17% Efficiency , 2022, Advanced materials.
[25] Rasheed Ahmad Khera,et al. Depicting the role of end-capped acceptors to amplify the photovoltaic properties of benzothiadiazole core-based molecules for high-performance organic solar cell applications , 2022, Computational and Theoretical Chemistry.
[26] J. Iqbal,et al. End-capped Modification of Dithienosilole Based Small Donor Molecules for High Performance Organic Solar Cells Using DFT Approach , 2021, Journal of Molecular Liquids.
[27] Xiang Sun,et al. Charge Transfer Landscape Manifesting Structure-Rate Relationship in the Condensed Phase via Machine Learning , 2021 .
[28] O. Al-Dossary,et al. Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study , 2021, Heliyon.
[29] J. Iqbal,et al. Tuning the optoelectronic properties of naphthodithiophene (NDT) for designing of A-D-A type photovoltaic materials , 2021, Optik.
[30] K. Wong,et al. Understanding the Charge Transfer State and Energy Loss Trade-offs in Non-fullerene-Based Organic Solar Cells , 2021, ACS Energy Letters.
[31] Ailing Tang,et al. Benzothiadiazole-based non-fullerene acceptors , 2021 .
[32] T. Lu. Simple, reliable, and universal metrics of molecular planarity , 2021, Journal of Molecular Modeling.
[33] J. Iqbal,et al. Tuning the Optoelectronic properties of Scaffolds by Using Variable Central Core Unit and their Photovoltaic Applications , 2021, Chemical Physics Letters.
[34] Riaz Hussain,et al. Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells , 2021, Journal of Molecular Modeling.
[35] Weihua Tang,et al. Evaluating the nature of the vertical excited states of fused-ring electron acceptors using TD-DFT and density-based charge transfer. , 2021, Physical chemistry chemical physics : PCCP.
[36] Jianhui Hou,et al. Solution‐Processed Silver Nanowire as Flexible Transparent Electrodes in Organic Solar Cells , 2021, Chinese Journal of Chemistry.
[37] Hongzheng Chen,et al. Simple Non-Fused Electron Acceptors Leading to Efficient Organic Photovoltaics. , 2021, Angewandte Chemie.
[38] A. Jen,et al. Technical Challenges and Perspectives for the Commercialization of Solution‐Processable Solar Cells , 2021, Advanced Materials Technologies.
[39] B. Tang,et al. Flexible Organic Solar Cells: Progress and Challenges , 2021, Small Science.
[40] Riaz Hussain,et al. End‐Capped Molecular Engineering of S‐Shaped Hepta‐Ring‐Containing Fullerene‐Free Acceptor Molecules with Remarkable Photovoltaic Characteristics for Highly Efficient Organic Solar Cells , 2021 .
[41] Vikas Sharma,et al. Perylene diimide based non-fullerene acceptors: top performers and an emerging class featuring N-annulation , 2021 .
[42] M. Ehsan,et al. Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells , 2021 .
[43] X. Zhan,et al. Fused-Ring Electron Acceptors for Photovoltaics and Beyond. , 2020, Accounts of chemical research.
[44] Bumjoon J. Kim,et al. Eco-Friendly Polymer Solar Cells: Advances in Green-Solvent Processing and Material Design. , 2020, ACS nano.
[45] Top Archie Dela Peña,et al. Intrinsic efficiency limits in low-bandgap non-fullerene acceptor organic solar cells , 2020, Nature Materials.
[46] J. Iqbal,et al. Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells , 2020 .
[47] Saira,et al. Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells. , 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[48] Xiaozhang Zhu,et al. n-Type Molecular Photovoltaic Materials: Design Strategies and Device Applications. , 2020, Journal of the American Chemical Society.
[49] T. Edvinsson,et al. Revisiting the Limiting Factors for Overall Water‐Splitting on Organic Photocatalysts , 2020, Angewandte Chemie.
[50] Daewon Kim,et al. Ultrathin unified harvesting module capable of generating electrical energy during rainy, windy, and sunny conditions , 2020 .
[51] Ling Hong,et al. Foldable Semitransparent Organic Solar Cells for Photovoltaic and Photosynthesis , 2020, Advanced Energy Materials.
[52] Hongzheng Chen,et al. Simple non-fused electron acceptors for efficient and stable organic solar cells , 2019, Nature Communications.
[53] J. Iqbal,et al. Opto-electronic properties of non-fullerene fused-undecacyclic electron acceptors for organic solar cells , 2019, Computational Materials Science.
[54] Fujun Zhang,et al. High performance non-fullerene polymer solar cells based on PTB7-Th as the electron donor with 10.42% efficiency , 2018 .
[55] Vivek Chamoli,et al. Comparative analysis of different structures of photovoltaic cell based on organic materials , 2017, 2017 International Conference on Emerging Trends in Computing and Communication Technologies (ICETCCT).
[56] Yongfang Li,et al. A near-infrared non-fullerene electron acceptor for high performance polymer solar cells , 2017 .
[57] A Klamt,et al. A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach. , 2015, Journal of chemical theory and computation.
[58] Harikrishna Sahu,et al. Computational investigation of charge injection and transport properties of a series of thiophene-pyrrole based oligo-azomethines. , 2014, Physical chemistry chemical physics : PCCP.
[59] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[60] M. Head‐Gordon,et al. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections. , 2008, Physical chemistry chemical physics : PCCP.
[61] P. Ugliengo,et al. B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals , 2008 .
[62] Christoph J. Brabec,et al. Design Rules for Donors in Bulk‐Heterojunction Solar Cells—Towards 10 % Energy‐Conversion Efficiency , 2006 .
[63] J. Tomasi,et al. Quantum mechanical continuum solvation models. , 2005, Chemical reviews.
[64] N. Handy,et al. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) , 2004 .
[65] Donald G. Truhlar,et al. Nonadiabatic Trajectories at an Exhibition , 2000 .
[66] Jian Wang,et al. Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a C 60 device , 2000, cond-mat/0007176.
[67] Vincenzo Barone,et al. Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models , 1998 .
[68] Helong Bai,et al. Recent Progress of Y6‐Derived Asymmetric Fused Ring Electron Acceptors , 2022 .
[69] D. H. Wang,et al. Recent Progress in Organic Solar Cells Based on Non-Fullerene Acceptors: Materials to Devices , 2022, Journal of Materials Chemistry A.
[70] Wei‐Shi Li,et al. Non-fused molecular photovoltaic acceptor with a planar core structure enabled by bulky and embracing type side chains , 2022, Journal of Materials Chemistry C.
[71] R. Sharma,et al. Synthesis of Carbon Allotropes in Nanoscale Regime , 2021 .
[72] Chunhui Duan,et al. Non-fused ring acceptors for organic solar cells , 2021, Energy Materials.