Papers citing In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
Efficient tuning of triphenylamine-based donor materials for high-efficiency organic solar cells
Computational and Theoretical Chemistry · 2020
Sabir Ali Siddique, Muhammad Bilal Ahmed Siddique, Riaz Hussain, Xin Liu, Muhammad Yasir Mehboob, Zobia Irshad, Muhammad Adnan
Read original paper ↗ ·Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis
ACS Omega · 2020
Rabia Basri, Muhammad Khalid, Zahid Shafiq, Muhammad Suleman Tahir, Muhammad Usman Khan, Muhammad Nawaz Tahir, Muhammad Moazzam Naseer, Ataualpa Albert Carmo Braga
Read original paper ↗ ·How Does Bridging Core Modification Alter the Photovoltaic Characteristics of Triphenylamine‐Based Hole Transport Materials? Theoretical Understanding and Prediction
Chemistry - A European Journal · 2020
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells
Journal of Materials Science · 2020
Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Usman Khan, Muhammad Khalid, Zobia Irshad, Rafia Fatima, Abida Anwar, Saba Nawab, Muhammad Adnan
Read original paper ↗ ·Indacenodithiophene-based N-type conjugated polymers provide highly thermally stable ternary organic photovoltaics displaying a performance of 17.5%
Journal of Materials Chemistry A · 2021
Mohamed Hammad Elsayed, Bing‐Huang Jiang, Yipeng Wang, Po-Yen Chang, Yu‐Cheng Chiu, Ru‐Jong Jeng, Ho‐Hsiu Chou, Chih-Ping Chen
Read original paper ↗ ·End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction
Optical and Quantum Electronics · 2021
Fatiqa Zafar, Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Usman Khan, Amjad Hussain, Talha Hassan, Muhammad Abid Rashid, Mahrzadi Noureen Shahi
Read original paper ↗ ·Enhancement in the Photovoltaic Properties of Hole Transport Materials by End‐Capped Donor Modifications for Solar Cell Applications
Bulletin of the Korean Chemical Society · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad, Muhammad Adnan
Read original paper ↗ ·Efficient Molecular Modelling of Butterfly-Shaped Hole Transport Materials With Remarkable Photovoltaic Properties For High-Performance Organic Solar Cells
Research Square · 2021
Muhammad Yasir Mehboob, Muhammad Adnan, Riaz Hussain, Zobia Irshad
Read original paper ↗ ·Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells
Journal of Physical Organic Chemistry · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Usman Khan, Muhammad Adnan, Muhammad Ali Ehsan, Abdul Rehman, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Designing of U‐shaped acceptor molecules for indoor and outdoor organic solar cell applications
Journal of Physical Organic Chemistry · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad, Muhammad Adnan
Read original paper ↗ ·End‐Capped Molecular Engineering of S‐Shaped Hepta‐Ring‐Containing Fullerene‐Free Acceptor Molecules with Remarkable Photovoltaic Characteristics for Highly Efficient Organic Solar Cells
Energy Technology · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Adnan, Zobia Irshad
Read original paper ↗ ·End-capped engineering of bipolar diketopyrrolopyrrole based small electron acceptor molecules for high performance organic solar cells
Computational and Theoretical Chemistry · 2021
Maria Akram, Sabir Ali Siddique, Javed Iqbal M, Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Bilal Ahmed Siddique, Sabiha Naveed, Babar Ali, Ayesha Hanif, Muhammad Sohail Sajid, Sana Shoukat
Read original paper ↗ ·Brominated Small-Molecule Acceptors with a Simple Non-fused Framework for Efficient Organic Solar Cells
ACS Applied Energy Materials · 2021
Li Zhang, Silong Tu, Wen Wang, Qidan Ling
Read original paper ↗ ·In silico designing of efficient C-shape non-fullerene acceptor molecules having quinoid structure with remarkable photovoltaic properties for high-performance organic solar cells
Optik · 2021
Muhammad Adnan, Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad
Read original paper ↗ ·Quantum chemical designing of banana-shaped acceptor materials with outstanding photovoltaic properties for high-performance non-fullerene organic solar cells
Synthetic Metals · 2021
Muhammad Yasir Mehboob, Muhammad Adnan, Riaz Hussain, Zobia Irshad
Read original paper ↗ ·In Silico Designing of Mg12O12 Nanoclusters with a Late Transition Metal for NO2 Adsorption: An Efficient Approach toward the Development of NO2 Sensing Materials
ACS Omega · 2021
Shahid Hussain, Shahzad Ali Shahid Chatha, Abdullah Ijaz Hussain, Riaz Hussain, Muhammad Yasir Mehboob, Asim Mansha, Nabeel Shahzad, Khurshid Ayub
Read original paper ↗ ·Designing of Inorganic Al12N12 Nanocluster with Fe, Co, Ni, Cu and Zn Metals for Efficient Hydrogen Storage Materials
Journal of Computational Biophysics and Chemistry · 2021
Muhammad Yasir Mehboob, Fakhar Hussain, Riaz Hussain, Shaukat Ali, Zobia Irshad, Muhammad Adnan, Khurshid Ayub
Read original paper ↗ ·First principle theoretical designing of W-shaped Dithienosilole-based acceptor materials having efficient photovoltaic properties for high-performance organic solar cells
Journal of Physics and Chemistry of Solids · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Malik Muhammad Asif Iqbal, Zobia Irshad, Muhammad Adnan
Read original paper ↗ ·Greater miscibility and energy level alignment of conjugated polymers enhance the optoelectronic properties of ternary blend films in organic photovoltaics
Dyes and Pigments · 2021
Bing‐Huang Jiang, Ya-Juan Peng, Yu‐Ching Huang, Ru‐Jong Jeng, Tien‐Shou Shieh, Ching‐I Huang, Chih-Ping Chen
Read original paper ↗ ·Synergistic effects of fluorine, chlorine and bromine-substituted end-capped acceptor materials for highly efficient organic solar cells
Computational and Theoretical Chemistry · 2021
Malik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Adnan, Zobia Irshad
Read original paper ↗ ·Banana-Shaped Nonfullerene Acceptor Molecules for Highly Stable and Efficient Organic Solar Cells
Energy & Fuels · 2021
Muhammad Adnan, Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad
Read original paper ↗ ·Designing of benzodithiophene (BDT) based non-fullerene small molecules with favorable optoelectronic properties for proficient organic solar cells
Computational and Theoretical Chemistry · 2021
Alvina Rasool, Saba Zahid, Rao Aqil Shehzad, Muhammed Salim Akhter, Javed Iqbal M
Read original paper ↗ ·High-Throughput Designing and Investigation of D–A−π–A-Type Donor Materials for Potential Application in Greenhouse-Integrated Solar Cells
Energy & Fuels · 2021
Muhammad Hamza Haroon, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Computational and theoretical study of subphthalocyanine based derivatives by varying acceptors to increase the efficiency of organic solar cells
Computational and Theoretical Chemistry · 2021
Rida Tariq, Rasheed Ahmad Khera, Hummera Rafique, Urwah Azeem, Ayesha Naveed, Ali Raza Ayub, Javed Iqbal M
Read original paper ↗ ·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
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 ↗ ·Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells
Journal of Molecular Modeling · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad, Muhammad Adnan
Read original paper ↗ ·A Theoretical Framework of Zinc-Decorated Inorganic Mg12O12 Nanoclusters for Efficient COCl2 Adsorption: A Step Forward toward the Development of COCl2 Sensing Materials
ACS Omega · 2021
Shahid Hussain, Shahzad Ali Shahid Chatha, Abdullah Ijaz Hussain, Riaz Hussain, Muhammad Yasir Mehboob, Asim Mansha, Nabeel Shahzad, Khurshid Ayub
Read original paper ↗ ·A Simple Effective SCF Method for Computing Optical Gaps in Organic Chromophores
Chemistry - An Asian Journal · 2021
Raj Roy, Abhisek Ghosal, Amlan K. Roy
Read original paper ↗ ·Quantum Chemical Design of D–π–A‐Type Donor Materials for Highly Efficient, Photostable, and Vacuum‐Processed Organic Solar Cells
Energy Technology · 2021
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Computational engineering to enhance the photovoltaic by end‐capped and bridging core alterations: Empowering the future with solar energy through synergistic effect in D‐A materials
International Journal of Quantum Chemistry · 2021
Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Hamza Haroon, Riaz Hussain, Muhammad Usman, Muhammad Usman Khan, Waqas Amber Gill
Read original paper ↗ ·Deciphering the role of end-capped acceptor units for amplifying the photovoltaic properties of donor materials for high-performance organic solar cell applications
Computational and Theoretical Chemistry · 2021
Sabir Ali Siddique, Sabiha Naveed, Muhammad Usman Alvi, Muhammad Yasir Mehboob, Babar Ali, Abdul Rauf, Muhammad Bilal Ahmed Siddique, Riaz Hussain, Muhammad Nadeem Arshad, Xin Liu
Read original paper ↗ ·Designing and Encapsulation of Inorganic Al12N12 Nanoclusters with Be, Mg, and Ca Metals for Efficient Hydrogen Adsorption: A Step Forward Towards Hydrogen Storage Materials
Journal of Computational Biophysics and Chemistry · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad, Ume Farwa, Muhammad Adnan, Shabbir Muhammad
Read original paper ↗ ·Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds
Scientific Reports · 2021
Muhammad Khalid, Muhammad Usman Khan, Eisha-tul -Razia, Zahid Shafiq, Mohammed Mujahid Alam, Muhammad Imran, Muhammad Safwan Akram
Read original paper ↗ ·Impact of π-linker modifications on the photovoltaic performance of rainbow-shaped acceptor molecules for high performance organic solar cell applications
Physica B Condensed Matter · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Adnan, Zobia Irshad, Muhammad Khalid
Read original paper ↗ ·Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells
Scientific Reports · 2021
Muhammad Khalid, Muhammad Usman Khan, Saeed Ahmed, Zahid Shafiq, Mohammed Mujahid Alam, Muhammad Imran, Ataualpa Albert Carmo Braga, Muhammad Safwan Akram
Read original paper ↗ ·Computational investigations on efficient metal-free organic D-π-A dyes with different spacers for powerful DSSCs applications
Molecular Simulation · 2021
Ponnusamy Munusamy Anbarasan, A. Arunkumar, Mohd. Shkir
Read original paper ↗ ·Theoretical modelling of novel indandione-based donor molecules for organic solar cell applications
Journal of Physics and Chemistry of Solids · 2021
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Adnan, Saira Saira, Ume Farwa, Zobia Irshad, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Effects of Halogenation on the Benzotriazole Unit of Non-Fullerene Acceptors in Organic Solar Cells with High Voltages
ACS Applied Materials & Interfaces · 2021
Tingting Dai, Qingling Nie, Peng Lei, Baoquan Zhang, Jialing Zhou, Ailing Tang, Helin Wang, Qingdao Zeng, Erjun Zhou
Read original paper ↗ ·In silico modelling of acceptor materials by End-capped and π-linker modifications for High-Performance organic solar Cells: Estimated PCE > 18%
Computational and Theoretical Chemistry · 2021
Muhammad Yasir Mehboob, Rania Zaier, Riaz Hussain, Muhammad Adnan, Malik Muhammad Asif Iqbal, Zobia Irshad, Ibtsam Bilal, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Synergistic engineering of end-capped acceptor and bridge on arylborane-arylamine macrocycles to boost the photovoltaic properties of organic solar cells
Optical Materials · 2021
Alvina Rasool, Saba Zahid, Muhammad Ans, Javed Iqbal M, Muhammad Adnan, El‐Sayed M. Sherif, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·Novel quad-rotor-shaped photovoltaic materials: first example of fused-ring non-fullerene acceptors with proficient photovoltaic properties for high-performance solar cells
Journal of Molecular Modeling · 2021
Fareeha Yasmeen, Muhammad Usman Alvi, Yusra Alvi, Muhammad Usman Khan, Junaid Yaqoob, Riaz Hussain, Mohammed Mujahid Alam, Muhammad Imran, Muhammad Misbah ur Rehman
Read original paper ↗ ·Bithieno Thiophene-Based Small Molecules for Application as Donor Materials for Organic Solar Cells and Hole Transport Materials for Perovskite Solar Cells
ACS Omega · 2021
Alvina Rasool, Saba Zahid, Muhammad Ans, Shabbir Muhammad, Khurshid Ayub, Javed Iqbal M
Read original paper ↗ ·DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties
RSC Advances · 2022
Nimra Maqsood, Areeba Asif, Khurshid Ayub, Javed Iqbal M, Ashraf Y. Elnaggar, Gaber A. M. Mersal, Mohamed M. Ibrahim, Salah M. El‐Bahy
Read original paper ↗ ·Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state behaviour, and radial distribution function
Polymer Chemistry · 2022
Asif Mahmood, Ahmad Irfan, Jin‐Liang Wang
Read original paper ↗ ·Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis
Journal of Physical Organic Chemistry · 2022
Muhammad Yasir Mehboob, Riaz Hussain, Saba Jamil, Mahmood Ahmed, Muhammad Usman Khan, Muhammad Hamza Haroon, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·First example of vinylbenzene based small photovoltaic molecules: Towards the development of efficient D-π-A configured optoelectronic materials for bulk heterojunction solar cells
Physica B Condensed Matter · 2022
Muhammad Yasir Mehboob, Muhammad Usman Khan, Riaz Hussain, Muhammad Khalid, Junaid Yaqoob, Rafia Rehman, Muhammad Bilal Ahmed Siddique, Mohammed Mujahid Alam, Muhammad Imran, Khurshid Ayub
Read original paper ↗ ·First example of N-shaped dipyrrolo[2,3-b:2′,3′-e]pyrazine-2,6(1H,5H)-dione based small acceptor materials: Role of cyano (−C≡N) free guest acceptors for developing environmental friendly organic solar cells
The European Physical Journal Plus · 2022
Arooj Ishaq, Muhammad Usman Alvi, Yusra Alvi, Muhammad Usman Khan, Junaid Yaqoob, Riaz Hussain, Mohammed Mujahid Alam, Muhammad Imran
Read original paper ↗ ·Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells
Journal of Molecular Modeling · 2022
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Usman Khan, Muhammad Adnan, Muhammad Usman Alvi, Junaid Yaqoob, Muhammad Khalid
Read original paper ↗ ·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
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·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
Muhammad Bilal Zeshan, Nargis Sultana, Muhammad Ilyas Tariq, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·