BetaCitation Atlas

RESEARCH PAPER · Journal of Cluster Science · 2020

Theoretical and Conceptual Framework to Design Efficient Dye-Sensitized Solar Cells (DSSCs): Molecular Engineering by DFT Method

Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Usman Khan, Muhammad Khalid, Nisar Ullah, Rajendra Kalgaonkar, Khalid R. Alnoaimi, Nour Baqader, Saba Jamil

Read original paper ↗

See where this research leads.

152 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-12 · complete coverage
Filter Citing Papers
Press Enter or comma to add · × to remove · searches titles and available abstracts
Journals
All journals
Most represented first · select one or more
Explore Terms In These PapersHide SuggestionsShow Suggestions

Original and current center papers stay visible as anchors.
Numbers show citations received
42 direct citing works

Theoretical and Conceptual Framework to Design Efficient Dye-Sensitized Solar Cells (DSSCs): Molecular Engineering by DFT MethodOriginalMolecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells128In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells134Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells123Computational study of 4,4′-dimethoxy triphenylamine donor linked with low band gap π-spacers by single and double bonds for DSSC applications6Single- and co-sensitization of triphenylamine-based and asymmetrical squaraine dyes on the anatase (001) surface for DSSC applications: Periodic DFT calculations24Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds40New Phenoxazine-Based Organic Dyes with Various Acceptors for Dye-Sensitized Solar Cells: Synthesis, Characterization, DSSCs Fabrications and DFT Study20High-Throughput Designing and Investigation of D–A−π–A-Type Donor Materials for Potential Application in Greenhouse-Integrated Solar Cells47Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation90Novel W-Shaped Oxygen Heterocycle-Fused Fluorene-Based Non-Fullerene Acceptors: First Theoretical Framework for Designing Environment-Friendly Organic Solar Cells91Theoretical Understanding and Role of Guest π-Bridges in Triphenylamine-Based Donor Materials for High-Performance Solar Cells67A Simple Effective SCF Method for Computing Optical Gaps in Organic Chromophores7Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications96Quantum Chemical Design of D–π–A‐Type Donor Materials for Highly Efficient, Photostable, and Vacuum‐Processed Organic Solar Cells72Quantum Chemical Approach of Donor−π–Acceptor Based Arylborane–Arylamine Macrocycles with Outstanding Photovoltaic Properties Toward High-Performance Organic Solar Cells117Structural, optical and photovoltaic properties of unfused Non-Fullerene acceptors for efficient solution processable organic solar cell (Estimated PCE greater than 12.4%): A DFT approach112Facile Synthesis of Diversely Functionalized Peptoids, Spectroscopic Characterization, and DFT-Based Nonlinear Optical Exploration25Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds93Electronic and photovoltaic properties of triphenylamine-based molecules with D-π-A-A structures19Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells72A study of silicon and germanium-based molecules in terms of solar cell devices performance14An optimal molecule-matching co-sensitization system for the improvement of photovoltaic performances of DSSCs12Design New Organic Material Based on Indandione as an Electron Acceptor for High Performance Solar Cells.0New organic dye-sensitized solar cells based on the D–A–π–A structure for efficient DSSCs: DFT/TD-DFT investigations93Optimal Molecule-Matching Co-Sensitization System for the Improvement of Photovoltaic Performances of Dsscs1Exploring the effect of end-capped modifications of carbazole-based fullerene-free acceptor molecules for high-performance indoor organic solar cell applications65Insights into end‐capped modifications effect on the photovoltaic and optoelectronic properties of S‐shaped fullerene‐free acceptor molecules: A density functional theory computational study for organic solar cells64Improvement the energy conversion efficiency of organic dye-based solar cells by pioneer solvents0Amplifying the photovoltaic properties of azaBODIPY core based small molecules by terminal acceptors modification for high performance organic solar cells: A DFT approach73Impact of blocking layer on DSSC performance based on new dye -indolo[3,2,1-jk]carbazole derivative and N71929Insights from Density Functional Theory on the Feasibility of Modified Reactive Dyes as Dye Sensitizers in Dye-Sensitized Solar Cell Applications27Depicting the role of end-capped acceptors to amplify the photovoltaic properties of benzothiadiazole core-based molecules for high-performance organic solar cell applications28Accelerating the discovery of high-performance donor/acceptor pairs in photovoltaic materials via machine learning and density functional theory23Nonfullerene Near-Infrared Sensitive Acceptors “Octacyclic Naphtho[1,2-b:5,6-b] Dithiophene Core” for Organic Solar Cell Applications: In Silico Molecular Engineering11Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?47A Quantum Chemical Study of Outstanding Structural, Electronic and Nonlinear Optical Polarizability of Boron Nitride (B12N12) Doped with Super Salt (P7BaNO3)28Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations19All-small-molecule organic solar cells with high fill factor and enhanced open-circuit voltage with 18.25 % PCE: Physical insights from quantum chemical calculations78The effect of anchoring group on the performances of metal-free phthalocyanine and metallophthalocyanine dye/titanium dioxide interface for dye-sensitized solar cells16Physicochemical insights and in silico designing of new fullerene-free acceptor molecules for highly efficient and stable organic solar cells2Physicochemical insights into the rational designing of new acceptor molecules by donor bridge modifications for efficient solar cells: In silico chemistry2Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells59Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory study5DFT Investigation of Triarylamine-α-cyanoacrylic Acid Compounds: Structural, Electronic, and Nonlinear Optical Properties3Photovoltaic properties of hole transport materials for organic solar cell (OSC) applications: physiochemical insight and in silico designing6Investigating the Role of Novel Benzotrithiophene-Based Bat-Shaped Non-Fullerene Acceptors for High Performance Organic Solar Cells18Construction and characterization of organic photovoltaic cells sensitized by Chrysanthemum based natural dye34Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical perspective via DFT89Thiophene-based molecules as hole transport materials for efficient perovskite solar cells or as donors for organic solar cells39D-D-π-A-π-A-based quinoxaline dyes incorporating phenothiazine, phenoxazine and carbazole as electron donors: Synthesis, photophysical, electrochemical, and computational investigation32End-group modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells43Theoretical Analysis of The New Organic Materials as Effective Sensitizer in Dye-Sensitized Solar Cells0Azo-guanidine-based novel molecules for dye-sensitized solar cell applications: a density functional theory study8An automated quantum chemistry-driven, experimental characterization for high PCE donor–π–acceptor NIR molecular dyes6Full theoretical protocol for the design of metal-free organic electron donor–spacer–acceptor systems5High-performance non-fullerene acceptor-analogues designed from dithienothiophen [3,2-b]-pyrrolobenzothiadiazole (TPBT) donor materials14Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study17In Silico Designing of Thieno[2,3-b]thiophene Core-Based Highly Conjugated, Fused-Ring, Near-Infrared Sensitive Non-fullerene Acceptors for Organic Solar Cells15Theoretical Design of New Healthy Organic Dyes for Solar Cell Applications with Favorite Medicinal Effect1Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: Star-shaped D- π -A conjugated systems9Designing of silolothiophene-linked triphenylamine-based hole transporting materials for perovskites and donors for organic solar cells-A DFT study79In Silico modeling and exploration of new acceptor molecules with enhanced power conversion efficiency for high-performance organic solar cell applications8Enhanced efficiency of DSSCs by co-sensitizing dyes with complementary absorption spectra13Newly designed triazatruxene-based dye-sensitized solar cells containing different benzothiazine π-linkers: Geometric, optoelectronic, charge transfer properties, and cyanoacrylic acid versus benzoic acid11Anthracene-bridged sensitizers for environmentally compatible dye-sensitized solar cells: In silico modelling and prediction6Designing Electron-Deficient Diketone Unit Based Non-Fused Ring Acceptors with Amplified Optoelectronic Features for Highly Efficient Organic Solar Cells: A DFT Study32First theoretical engineering of robust C-C single bond-based acceptor materials for efficient organic photovoltaics1Comparative Mössbauer and first principles calculations for selected iron oxides and ferrites nanoparticles6Synthesis of Novel Porphyrin Derivatives and Investigate their Application in Sensitized Solar Cells2Efficient D-π-π-A-Type Dye Sensitizer Based on a Benzothiadiazole Moiety: A Computational Study25Synthesis and Antioxidant Studies of 2,4-Dioxothiazolidine-5-acetic Acid Based Organic Salts: SC-XRD and DFT Approach19Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study29Molecular engineering of inorganic halide perovskites and HTMs for photovoltaic applications8Exploring novel naphthalene-fused octacyclic core-based non-fullerene acceptor materials with augmented optoelectronic attributes for stable and efficient solar cells5Effect of natural dye combination and pH extraction on the performance of dye-sensitized photovoltaics solar cell6New bithiophene-based molecules as hole transporting materials for perovskite solar cells and or as donor for organic solar cells16Study of the microscopic mechanism of stepwise charge injection in co-sensitive DSSCs in the framework of a D–π–A dye and chlorophyll15Competence “Engineering design” – a platform for developing the skills of designing an object of capital construction0Effect of metal ions in the electron-transfer mechanism on the photovoltaic performance of SALPHEN-based DSSC: experimental and theoretical studies22Toward the search for new photosensitizers for DSSCs: theoretical study of both substituted Zn( ii ) and Si( iv ) phthalocyanines11Unveiling the optoelectronic structure and photovoltaic potential of ZrO 2 @GO through cosensitization with squaraine dye in DSSC: a computational study2The effect of structural modification of novel D-π-A-π-D molecules on their performance as donors in bulk heterojunction solar cells: Theoretical investigation6The significance of methoxy substitution and π-spacer arrangements on carbazole donor and furofuran π-spacer based promising sensitizers for dye sensitized solar cells12Recent progress toward high-performance dye-sensitized solar cells: a review22Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials11The novel non-fully-fused ring small molecule acceptors: End-capped modification investigation7Effects of fused thiophene Π-bridge on the electronic and optical properties of modified theaflavin natural dye1Improved efficiency and stability for acridine orange sensitizers by adding electron donating/accepting π-linker moieties7Synthesis of a new hydrazone-based schiff base: Spectroscopy, single crystal, DNA binding and theoretical studies37Tailoring the donor moieties in TPA ‐based organic dyes for efficient photovoltaic, optical and nonlinear optical response properties5Thiophene-based compounds containing naphthalene groups as Hole Transport Materials for efficient Perovskite Solar Cells or light absorbers in Organic Solar Cells10Theoretical studies on opto-electronic properties of Congo red dye based dye-sensitized solar cells4BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar Cells11A theoretical investigation for improving the performance of non-fullerene organic solar cells through side-chain engineering of BTR non-fused-ring electron acceptors3Quantum chemical framework for designing high-performance ladder-shape NLO molecules and study of implicit vs explicit solvent effects on their NLO properties30Theoretical investigation of DMPA-containing carbazole-based hole-transport materials for perovskite solar cells12Band gap engineering of 9,10-(bis-4-phenylazenyl)anthracene for application in dye sensitized solar cells8Aided design and molecular regulatory mechanism of non-fused ring acceptors in the framework of A-D1-D2-A molecular systems27Impact of core modification with quinacridone derivative on the photovoltaic properties of triphenylamine-based materials: A theoretical study8Effect of electron-donating and -withdrawing substitutions in naphthoquinone sensitizers: The structure engineering of dyes for DSSCs in Quantum Chemical Study9DFT/TD-DFT study of novel triphenylamine-based dyes with azo moieties and π-spacer variations for enhanced dye-sensitized solar cell performance16The Role of Spin–Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes6Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics18Exploring the impact of heterocyclic bridges for tuning the amplitudes of Nonlinear optical properties under Gas, IEFPCM and COSMO solvent models21Pyrazine-Based Aromatic Dyes as Novel Photosensitizers with Improved Conduction Band and Photovoltaic Features: DFT Insights for Efficient Dye-Sensitized Solar Cells2Optoelectronic of Properties of N1-[4-(Diethylamino)phenyl]-N4,N4-diethyl-N1-(thiophen-2-yl)benzene-1,4-diamine-Based (D-A2-π-A) Dyes with Enzothiadiazole/Dihydrothieno[3,4-b][1,4]dioxine as Auxiliary Acceptor for DSSCs Applications: DFT/TD-DFT Approach4Bay-substituted Perylene diimides (PDIs) as redox mediators in dye-sensitized solar cells and active electrode material in supercapacitors9Influence of terminal moiety on PCE of DSSCs: An In Silico study based on triazatruxene-benzothiadiazole dye15Computational Insight into the Optoelectronic and Chemical Reactivity Properties of Metal-Free Phenothiazine Based D-π-A Dye-Sensitizers for Solar Cells Application: DFT and TD-DFT Methods2Enhancing PCE above 16.03% via linker engineering of donor layer: A DFT study of binary all-small-molecule organic solar cells13Enhancing the optoelectronic properties of blended triphenylamine-betalain based dyes through tailoring the anchoring unit: a theoretical investigation4Quantum chemical study of new oxadiazoles as efficient optical and nonlinear optical and photovoltaic materials under gas, PCM and COSMO solvent effects18Improving the efficiency of organic solar cells using non-fullerene acceptor for molecular engineering of IDT-based chromophores6Theoretical study of the photovoltaic properties of dye-sensitized solar cells with novel D-A-π-A-type benzothiazole molecules as auxiliary acceptors8Enhancing the Efficiency of Solar Cells Based on TiO2 and ZnO Photoanodes Through Copper Oxide: A Comparative Study Using Vitis labrusca Extract and N3 Ruthenium Dye13Advanced functionalization of carbon fiber-reinforced polymer composites towards enhanced hybrid 4-terminal photo-thermal energy harvesting devices by integrating dye-sensitized solar cells and thermoelectric generators21Potentiality of 1-(4-nitrophenyl)-2-pyrrolidine methanol as an efficient photosensitizing material: A multi-solvent first principle DFT study6A study on indolo[3,2,1- jk ]carbazole donor-based dye-sensitized solar cells and effects from addition of auxiliary donors8Deep learning accelerated high-throughput screening of organic solar cells9Design of High-Efficiency Solar Cell Sensitizers from Novel 2d Materials, Graphene, Silicon Carbide, and Boron Nitride: Dft-Based Insights0Properties of charge-transfer states based on (TD-)DFT: Defying accuracy2Theoretical design and analysis of D–π–A–A′ organic dyes for enhanced efficiency in DSSCs by modifying donor (D) and acceptor (A) moieties7Exploring the effect of aromatic π-spacers on the photophysical properties of triphenylamine and indoline dyes in DSSCs10Influence of fluorination on the optoelectronic properties of dithienyl cyclopentadithiophene-benzothiadiazole donor–acceptor alternate copolymers: experimental and computational studies3The impact of aryl amine donors on the performance of dye-sensitized solar cells based on quinoxaline D-π-A-π-A sensitizers31Optimizing nonlinear optical and photovoltaic performance in butterfly-shaped carbazole vs. borole derivatives: An implicit and explicit solvents-driven approach3Efficient Thiophene-Based Hole Transport Materials Containing Amide Groups as Bridges and Thiophene Derivatives as Acceptors for Perovskite Solar Cells11Molecular engineering of phenothiazine-based D-A-π-A sensitizers: A quantum chemical study on the role of auxiliary acceptors in improving DSSC efficiency14Defect and solvent engineering of optoelectronic response in 2D materials: A DFT study on graphene, silicon carbide, and boron nitride for solar cell sensitizers6Improving optoelectronic and charge transport properties of aza-BODIPY-based non-fullerene acceptors by end-capped modification for high-performance organic solar cells1DFT investigation of strong acceptor molecules0Tuning optical absorption and photovoltaic performance for novel near-infrared squaraine molecules in dye-sensitized solar cells1Perylene Diimides (PDI) with Electronic Donor Core-Substituted Structures for Application of Solar Cell Materials by Theoretical Study (Showing PCE > 18.7%)1Computational insights into π-spacer integration for reduced energy loss in symmetric A-π-D-π-A NF-OSCs4End-group modification of small-molecule donors for vacuum-deposited SM-OSC under intense illumination: A theoretical study for improved PCE3Rational molecular design of star-shaped small molecule donors based on BODIPY for high-performance organic solar cells applications0π-spacer engineering of metal-free PFCH dyes: a computational approach towards efficient indoor–outdoor DSSCs2Theoretical investigation on carbazole-based self-assembled monolayer hole transport materials: the effect of substituent and anchoring groups1Investigation of the impact of DMSO and H2O solvents on the electronic and photovoltaic properties of graphene-oxide nanostructures: A DFT study1New D–π–A dyes based on indolo[3,2,1- jk ]carbazole and thienopyrrolo[3,2,1- jk ]carbazole for application in dye-sensitized solar cells2Design of novel D-D-π-A sensitizers for DSSC applications: Impact of diketopyrrolopyrrole (DPP) π-bridge on the optoelectronic and photovoltaic properties4Thermodynamic and DFT-Based Analysis of Anti-Inflammatory Drug with D-Mannitol in Aqueous System0Harnessing multicolour photoluminescence from Dy3+/Tb3+/Eu3+ doped LaAlO3 for high-performance white LEDs and dye-sensitized solar cells6Next-generation sensitizers for dye sensitizer solar cells: Molecular engineering, performance metrics, and photostability2Triphenylamine vs Triphenylphosphine Donors in D-A and D-π-A Frameworks: A DFT/TD-DFT Roadmap for DSSCs and OLEDs1Tuning the Optoelectronic and Photovoltaic Properties of Natural Chlorophyll Dye Molecules via Solvent Interaction: A Computational Insight0Synergistic regulation of charge transport in polar dye sensitizers for solar cells via dicyano and imine moieties0Structure-property relationships of D-π-D triphenylamine-based conjugated small molecules for organic and perovskite solar cells3Spiro based hole transporting materials improving optical and photoelectric properties for perovskite solar cells1The impact of azo -based modifications of D-ε 3 -δ n -A (n = 1-3) and D-ε 6 -δ n -A (n = 1-3) systems toward promoting dye-sensitized solar cells (DSSCs): DFT study0

Arrows point to the paper being cited. Selecting a paper shows its incoming citations and its known path back to the original paper.

Drag to pan · Use + / − to zoom · Escape to close43 nodes / 53 citation links
Browse Matching Papers

Papers that cite this work

152 direct citing papers saved. Showing the first 50 here; use Browse Matching Papers in the map for all loaded papers.

  1. 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

    Optical and Quantum Electronics · 2020-07-23

    Riaz Hussain, Faiza Hassan, Muhammad Usman Khan, Muhammad Yasir Mehboob, Rafia Fatima, Muhammad Khalid, Khalid Mahmood, Chaudhary Jahrukh Tariq, Muhammad Nadeem Akhtar

    Read original paper ↗ ·

  2. In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

    ACS Omega · 2020-09-08

    Muhammad Usman Khan, Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Khalid, Zahid Shafiq, Muhammad Aslam, Abdulaziz A. Al‐Saadi, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  3. Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells

    Journal of Materials Science · 2020-11-23

    Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Usman Khan, Muhammad Khalid, Zobia Irshad, Rafia Fatima, Abida Anwar, Saba Nawab, Muhammad Adnan

    Read original paper ↗ ·

  4. Computational study of 4,4′-dimethoxy triphenylamine donor linked with low band gap π-spacers by single and double bonds for DSSC applications

    New Journal of Chemistry · 2021-01-01

    Divya Unny, Ganapathi Rao Kandregula, Kothandaraman Ramanujam

    Read original paper ↗ ·

  5. Single- and co-sensitization of triphenylamine-based and asymmetrical squaraine dyes on the anatase (001) surface for DSSC applications: Periodic DFT calculations

    Journal of Molecular Graphics and Modelling · 2021-01-09

    Ohoud S. Al−Qurashi, Abdesslem Jedidi, Nuha Ahmed Wazzan

    Read original paper ↗ ·

  6. Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds

    Molecules · 2021-05-07

    Bakhat Ali, Muhammad Khalid, Sumreen Asim, Muhammad Usman Khan, Zahid Iqbal, Ajaz Hussain, Riaz Hussain, Sarfraz Ahmed, Akbar Ali, Amjad Hussain, Muhammad Imran, Mohammed Ali Assiri, Muhammad Fayyaz ur Rehman, Chenxi Wang, Changrui Lu

    Read original paper ↗ ·

  7. New Phenoxazine-Based Organic Dyes with Various Acceptors for Dye-Sensitized Solar Cells: Synthesis, Characterization, DSSCs Fabrications and DFT Study

    Journal of Computational Biophysics and Chemistry · 2021-06-11

    T. Saravana Kumaran, Annamalai Prakasam, Ponnusamy Munusamy Anbarasan, P. Vennila, G. Venkatesh, S. Parveen Banu, Yohannan Sheena Mary

    Read original paper ↗ ·

  8. High-Throughput Designing and Investigation of D–A−π–A-Type Donor Materials for Potential Application in Greenhouse-Integrated Solar Cells

    Energy & Fuels · 2021-07-07

    Muhammad Hamza Haroon, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  9. Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation

    Journal of Saudi Chemical Society · 2021-07-10

    Muhammad Khalid, Iqra Shafiq, Meiying Zhu, Muhammad Usman Khan, Zahid Shafiq, Javed Iqbal M, Mohammed Mujahid Alam, Ataualpa Albert Carmo Braga, Muhammad Imran

    Read original paper ↗ ·

  10. Novel W-Shaped Oxygen Heterocycle-Fused Fluorene-Based Non-Fullerene Acceptors: First Theoretical Framework for Designing Environment-Friendly Organic Solar Cells

    Energy & Fuels · 2021-07-12

    Muhammad Usman Khan, Muhammad Khalid, Riaz Hussain, Ali Umar, Muhammad Yasir Mehboob, Zahid Shafiq, Muhammad Imran, Ahmad Irfan

    Read original paper ↗ ·

  11. Theoretical Understanding and Role of Guest π-Bridges in Triphenylamine-Based Donor Materials for High-Performance Solar Cells

    Energy & Fuels · 2021-07-13

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  12. A Simple Effective SCF Method for Computing Optical Gaps in Organic Chromophores

    Chemistry - An Asian Journal · 2021-07-31

    Raj Roy, Abhisek Ghosal, Amlan K. Roy

    Read original paper ↗ ·

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

    Journal of Molecular Modeling · 2021-08-06

    Saba Zahid, Alvina Rasool, Rao Aqil Shehzad, Ijaz Ahmad Bhatti, Javed Iqbal M

    Read original paper ↗ ·

  14. Quantum Chemical Design of D–π–A‐Type Donor Materials for Highly Efficient, Photostable, and Vacuum‐Processed Organic Solar Cells

    Energy Technology · 2021-08-13

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  15. Quantum Chemical Approach of Donor−π–Acceptor Based Arylborane–Arylamine Macrocycles with Outstanding Photovoltaic Properties Toward High-Performance Organic Solar Cells

    Energy & Fuels · 2021-08-30

    Saba Zahid, Alvina Rasool, Muhammad Ans, Muhammad Shahzad Yaseen, Javed Iqbal M

    Read original paper ↗ ·

  16. 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

    Journal of Molecular Liquids · 2021-09-01

    Umer Yaqoob, Ali Raza Ayub, Sidra Rafiq, Muhammad Khalid, Yaser Abdel-Moemen El-Badry, Zeinhom Mohamed El-Bahy, Javed Iqbal M

    Read original paper ↗ ·

  17. Facile Synthesis of Diversely Functionalized Peptoids, Spectroscopic Characterization, and DFT-Based Nonlinear Optical Exploration

    ACS Omega · 2021-09-30

    Odette Concepción, Akbar Ali, Muhammad Khalid, Alexander F. de la Torre, Muhammad Usman Khan, Abdul Rauf Raza, Ghulam Mustafa Kamal, Muhammad Fayyaz ur Rehman, Mohammed Mujahid Alam, Muhammad Imran, Ataualpa Albert Carmo Braga, Mariano Pertino

    Read original paper ↗ ·

  18. Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds

    Scientific Reports · 2021-10-07

    Muhammad Khalid, Muhammad Usman Khan, Eisha-tul -Razia, Zahid Shafiq, Mohammed Mujahid Alam, Muhammad Imran, Muhammad Safwan Akram

    Read original paper ↗ ·

  19. Electronic and photovoltaic properties of triphenylamine-based molecules with D-π-A-A structures

    Computational and Theoretical Chemistry · 2021-10-09

    Reza Medi Saputra, Canpu Yang, Dongpeng Zhao, Xin Liang Zheng, Yuanzuo Li

    Read original paper ↗ ·

  20. Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells

    Scientific Reports · 2021-11-02

    Muhammad Khalid, Muhammad Usman Khan, Saeed Ahmed, Zahid Shafiq, Mohammed Mujahid Alam, Muhammad Imran, Ataualpa Albert Carmo Braga, Muhammad Safwan Akram

    Read original paper ↗ ·

  21. A study of silicon and germanium-based molecules in terms of solar cell devices performance

    TURKISH JOURNAL OF CHEMISTRY · 2022-01-01

    Emine Tanış

    Read original paper ↗ ·

  22. An optimal molecule-matching co-sensitization system for the improvement of photovoltaic performances of DSSCs

    Physical Chemistry Chemical Physics · 2022-01-01

    Yongliang Liu, Shengbo Zhu, Wei Li, Yilin Su, Hongwei Zhou, Ran Chen, Weixing Chen, Wenzhi Zhang, Xiaoling Niu, Xinbing Chen, Zhongwei An

    Read original paper ↗ ·

  23. Design New Organic Material Based on Indandione as an Electron Acceptor for High Performance Solar Cells.

    SSRN Electronic Journal · 2022-01-01

    Rchid Kacimi, R. A. Shehzad, Ahmed Azaid, Youness Khaddam, Marzouk Raftani, J Iqbal, L. Bejjit, Mohammed Naciri Bennani, Mohammed Bouachrıne

    Read original paper ↗ ·

  24. New organic dye-sensitized solar cells based on the D–A–π–A structure for efficient DSSCs: DFT/TD-DFT investigations

    RSC Advances · 2022-01-01

    Ahmed Azaid, Marzouk Raftani, Marwa Alaqarbeh, Rchid Kacimi, Tayeb Abram, Youness Khaddam, Diae Nebbach, Abdelouahid Sbai, Tahar Lakhlifi, Mohammed Bouachrıne

    Read original paper ↗ ·

  25. Optimal Molecule-Matching Co-Sensitization System for the Improvement of Photovoltaic Performances of Dsscs

    SSRN Electronic Journal · 2022-01-01

    Yongliang Liu, Shengbo Zhu, Wei Li, Yilin Su, Ran Chen, Weixing Chen, Wenzhi Zhang, Xiaoling Niu, Xinbing Chen, Zhongwei An

    Read original paper ↗ ·

  26. Exploring the effect of end-capped modifications of carbazole-based fullerene-free acceptor molecules for high-performance indoor organic solar cell applications

    Journal of Computational Electronics · 2022-01-03

    Muhammad Hamza Haroon, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  27. Insights into end‐capped modifications effect on the photovoltaic and optoelectronic properties of S‐shaped fullerene‐free acceptor molecules: A density functional theory computational study for organic solar cells

    Journal of Physical Organic Chemistry · 2022-01-06

    Muhammad Hamza Haroon, Abdulaziz A. Al‐Saadi, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  28. Improvement the energy conversion efficiency of organic dye-based solar cells by pioneer solvents

    Molecular Physics · 2022-01-13

    Faezeh Pakravesh, Mohammad Izadyar, Foroogh Arkan

    Read original paper ↗ ·

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

    Solar Energy · 2022-01-18

    Maham Salim, Mahira Rafiq, Rasheed Ahmad Khera, Maira Arshad, Javed Iqbal M

    Read original paper ↗ ·

  30. Impact of blocking layer on DSSC performance based on new dye -indolo[3,2,1-jk]carbazole derivative and N719

    Dyes and Pigments · 2022-02-09

    Paweł Gnida, Aneta Słodek, Pavel Chulkin, Marharyta Vasylieva, Agnieszka Katarzyna Pająk, Aleksandra Seweryn, M. Godlewski, B.S. Witkowski, Grażyna Szafraniec‐Gorol, Ewa Schab‐Balcerzak

    Read original paper ↗ ·

  31. Insights from Density Functional Theory on the Feasibility of Modified Reactive Dyes as Dye Sensitizers in Dye-Sensitized Solar Cell Applications

    Solar · 2022-02-17

    Shreyas S. Dindorkar, Anshul Yadav

    Read original paper ↗ ·

  32. Depicting the role of end-capped acceptors to amplify the photovoltaic properties of benzothiadiazole core-based molecules for high-performance organic solar cell applications

    Computational and Theoretical Chemistry · 2022-03-10

    Ehsan Ullah Rashid, Javed Iqbal M, Rana Farhat Mehmood, Yaser Abdel-Moemen El-Badry, Sahar Javaid Akram, Rasheed Ahmad Khera

    Read original paper ↗ ·

  33. Accelerating the discovery of high-performance donor/acceptor pairs in photovoltaic materials via machine learning and density functional theory

    Materials & Design · 2022-03-18

    Xiujuan Liu, Yueyue Shao, Tian Lu, Dongping Chang, Minjie Li, Wencong Lu

    Read original paper ↗ ·

  34. Nonfullerene Near-Infrared Sensitive Acceptors “Octacyclic Naphtho[1,2-b:5,6-b] Dithiophene Core” for Organic Solar Cell Applications: In Silico Molecular Engineering

    ACS Omega · 2022-05-05

    Abdul Sattar, Riaz Hussain, Riaz Hussain, Sahar Ishaq, Mohammed A. Assiri, Muhammad Imran, Ajaz Hussain, Mirza Arfan Yawer, Saleem Jan, Riaz Hussain, Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Khalid, Khurshid Ayub

    Read original paper ↗ ·

  35. Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?

    Journal of Physics and Chemistry of Solids · 2022-05-13

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  36. A Quantum Chemical Study of Outstanding Structural, Electronic and Nonlinear Optical Polarizability of Boron Nitride (B12N12) Doped with Super Salt (P7BaNO3)

    Journal of Inorganic and Organometallic Polymers and Materials · 2022-06-02

    Ali Raza Ayub, Umer Yaqoob, Sidra Rafiq, Rao Aqil Shehzad, Khurshid Ayub, Javed Iqbal M, Hui Li, Khaled Hussein Mahmoud, Khaled A. Elsayed

    Read original paper ↗ ·

  37. Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations

    Physical Sciences Reviews · 2022-06-02

    Ededet A. Eno, Hitler Louis, Tomsmith O. Unimuke, Ernest Chiedoziam Agwamba, Anita T. Etim, Justina I. Mbonu, Henry Okon Edet, ThankGod Egemoye, Kayode Adesina Adegoke, Umar Salami Ameuru

    Read original paper ↗ ·

  38. All-small-molecule organic solar cells with high fill factor and enhanced open-circuit voltage with 18.25 % PCE: Physical insights from quantum chemical calculations

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2022-06-07

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  39. The effect of anchoring group on the performances of metal-free phthalocyanine and metallophthalocyanine dye/titanium dioxide interface for dye-sensitized solar cells

    Surfaces and Interfaces · 2022-06-07

    S. Abdel Aal, D. Awadh

    Read original paper ↗ ·

  40. Physicochemical insights and in silico designing of new fullerene-free acceptor molecules for highly efficient and stable organic solar cells

    Journal of Physics and Chemistry of Solids · 2022-06-11

    Muhammad Bilal Zeshan, Nargis Sultana, Muhammad Ilyas Tariq, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  41. Physicochemical insights into the rational designing of new acceptor molecules by donor bridge modifications for efficient solar cells: In silico chemistry

    Journal of Physical Organic Chemistry · 2022-06-15

    Muhammad Hamza Haroon, Wajiha Fatima, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

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

    Journal of Molecular Graphics and Modelling · 2022-06-21

    Muhammad Waqas, Javed Iqbal M, Rana Farhat Mehmood, Sahar Javaid Akram, Ahmed M. Shawky, Muhammad Salman Raheel, Ehsan Ullah Rashid, Rasheed Ahmad Khera

    Read original paper ↗ ·

  43. Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory study

    Journal of Molecular Modeling · 2022-07-07

    Amina C. Berrekhchi‐Berrahma, Michael Springborg, Meijuan Zhou, Abdelghani Haddou, Majda Sekkal-Rahal

    Read original paper ↗ ·

  44. DFT Investigation of Triarylamine-α-cyanoacrylic Acid Compounds: Structural, Electronic, and Nonlinear Optical Properties

    Journal of Molecular Modeling · 2022-07-19

    Ziran Chen, Yuhong Zhang, Yuan Li, Wenhao Yu

    Read original paper ↗ ·

  45. Photovoltaic properties of hole transport materials for organic solar cell (OSC) applications: physiochemical insight and in silico designing

    Australian Journal of Chemistry · 2022-07-25

    Muhammad Hamza Haroon, Saba Jamil, Muhammad Bilal Zeshan, Nargis Sultana, Muhammad Ilyas Tariq, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  46. Investigating the Role of Novel Benzotrithiophene-Based Bat-Shaped Non-Fullerene Acceptors for High Performance Organic Solar Cells

    Journal of Computational Biophysics and Chemistry · 2022-08-12

    Kainat Atiq, Riaz Hussain, Muhammad Adnan, Muhammad Usman Khan, Zobia Irshad, Junaid Yaqoob, Muhammad Khalid, Mohammed A. Assiri, Muhammad Imran, Jongchul Lim

    Read original paper ↗ ·

  47. Construction and characterization of organic photovoltaic cells sensitized by Chrysanthemum based natural dye

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2022-08-26

    Arcano Matheus Bragança Leite, H.O. da Cunha, J.A.F.C.R. Rodrigues, Rajendran Suresh Babu, A. L. F. de Barros

    Read original paper ↗ ·

  48. Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical perspective via DFT

    Journal of Physics and Chemistry of Solids · 2022-09-14

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  49. Thiophene-based molecules as hole transport materials for efficient perovskite solar cells or as donors for organic solar cells

    Materials Chemistry and Physics · 2022-10-13

    Abdennacer Idrissi, Zouhair El Fakir, Redouane Atir, Amar Habsaoui, Mohamed Ebn Touhami, Saïd Bouzakraoui

    Read original paper ↗ ·

  50. D-D-π-A-π-A-based quinoxaline dyes incorporating phenothiazine, phenoxazine and carbazole as electron donors: Synthesis, photophysical, electrochemical, and computational investigation

    Journal of Photochemistry and Photobiology A Chemistry · 2022-11-04

    Aisha R. Al-Marhabi, Reda M. El‐Shishtawy, Si Mohamed Bouzzine, Mohamed Hamidi, Huda A. Al‐Ghamdi, Khalid Alfooty

    Read original paper ↗ ·
More citing papers →
Citation Atlas · A map of research, not a ranking.