Papers citing First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers
Designing Star-Shaped Subphthalocyanine-Based Acceptor Materials with Promising Photovoltaic Parameters for Non-fullerene Solar Cells
ACS Omega · 2020-09-02
Muhammad Usman Khan, Muhammad Khalid, Muhammad Nadeem Arshad, Muhammad Naeem Khan, Muhammad Usman, Akbar Ali, Saifullah Bullo
Read original paper ↗ ·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 ↗ ·First theoretical framework of Z-shaped acceptor materials with fused-chrysene core for high performance organic solar cells
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2020-09-12
Muhammad Usman Khan, Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Khalid, Muhammad Ali Ehsan, Abdul Rehman, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Tuning of Second-Order Nonlinear Optical Properties Based on [2.2]Paracyclophanes Isomer: the Relative Configuration and Polarizable Environment
The Journal of Physical Chemistry C · 2020-09-14
Jin-Ting Ye, Jinghai Liu, Qiang Zhang, Yong‐Qing Qiu, Li-Hui Wang
Read original paper ↗ ·Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies
Journal of Cluster Science · 2020-10-10
A. Parthiban, Kandapalam Arun Prasath Lingam, S. Mangalaraj, P. Muthukrishnan, Mohan Surendiran
Read original paper ↗ ·Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study
Journal of Molecular Graphics and Modelling · 2020-11-06
Naveen Kosar, Khurshid Ayub, Tariq Mahmood
Read original paper ↗ ·Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis
ACS Omega · 2020-11-10
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 ↗ ·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 ↗ ·Computational study on the optical and NLO properties of donor–acceptor interaction molecules containing a triazolobenzothiadiazole or benzothiadiazole central acceptor core
New Journal of Chemistry · 2021-01-01
Lijing Gong, Xiangyu Zhang, Cheng Ma
Read original paper ↗ ·Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response
RSC Advances · 2021-01-01
Muhammad Adeel, Muhammad Khalid, Malik Aman Ullah, Shabbir Muhammad, Muhammad Usman Khan, Muhammad Nawaz Tahir, Ilham Khan, Muhammad Adnan Asghar, Khawar Shahzad Mughal
Read original paper ↗ ·Structural parameter-modulated nonlinear optical amplitude of acceptor–π–D–π–donor-configured pyrene derivatives: a DFT approach
RSC Advances · 2021-01-01
Muhammad Khalid, Hafiza Munazza Lodhi, Muhammad Usman Khan, Muhammad Imran
Read original paper ↗ ·Effect of Polymerization on the Charge-Transfer Mechanism in the One (Two)-Photon Absorption Process of D–A-Type Triphenylamine Derivatives
The Journal of Physical Chemistry A · 2021-01-12
Jia Wei, Yuanzuo Li, Peng Song, Yanhui Yang, Fengcai Ma
Read original paper ↗ ·In Silico Modelling of Viscoelastic Surfactants: Towards NLO Response and Novel Physical Insights through Bridging Acceptor
Journal of Cluster Science · 2021-01-24
Muhammad Ramzan Saeed Ashraf Janjua, Rashid Mahmood, Muhammad Hamza Haroon, Farooq Anwar, Muhammad Usman Khan, Nisar Ullah
Read original paper ↗ ·DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-Shaped imidazole-based push-pull chromophores
Research Square · 2021-02-16
Lamia Kara Zaitri, Sidi Mohamed Mekelleche
Read original paper ↗ ·First principles investigation of structural, electronic and optical properties of synthesized radiaannulene oligomers for 6,6,12-graphyne
Journal of Physics and Chemistry of Solids · 2021-02-16
Subhadip Nath, Arka Bandyopadhyay, Sabyasachi Sen, Debnarayan Jana
Read original paper ↗ ·4-(4,5-Diphenyl-1H-imidazole-2-yl)phenol: Synthesis and Estimation of Nonlinear Optical Properties using Z-Scan Technique and Quantum Mechanical Calculations
Acta chimica slovenica · 2021-03-15
Fatemeh Mostaghni
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 · 2021-03-16
Muhammad Yasir Mehboob, Riaz Hussain, Muhammad Usman Khan, Muhammad Adnan, Muhammad Ali Ehsan, Abdul Rehman, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Theoretical Study on the Nonlinear Optical Property of Boron Nitride Nanoclusters Functionalized by Electron Donating and Electron Accepting Groups
The Journal of Physical Chemistry A · 2021-03-22
Tanushree Sutradhar, Anirban Misra
Read original paper ↗ ·Theoretical Investigation of Jack-in-the-Box Electro-Optical Compounds: In-Silico Design of Mixed-Argon Benzonitriles Towards the Template of Clusters
Journal of Cluster Science · 2021-03-28
Nargis Sultana, Muhammad Ilyas Tariq, Urooj Siddique, Maria Farooq, Muhammad Usman Khan, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·First-principles study on the adsorption structure and electrical properties of P2S5-adsorbed Li2S(110) surface
Surface Science · 2021-04-11
Fenning Zhao, Hongtao Xue, Cheng‐Dong Wei, Li Zhou, Fuling Tang
Read original paper ↗ ·Effect of tunable π bridge on two-photon absorption property and intramolecular charge transfer process of polycyclic aromatic hydrocarbons
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2021-04-20
Linpo Yang, Yinglin Song, Guanghua Fan, Xueru Zhang, Yuxiao Wang
Read original paper ↗ ·DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores
Journal of Molecular Modeling · 2021-04-26
Lamia Kara Zaitri, Sidi Mohamed Mekelleche
Read original paper ↗ ·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 ↗ ·High-throughput calculations and experimental insights towards the development of potent thiazoline based functional materials
Materials Today Communications · 2021-05-27
Muhammad Hamza Haroon, Muhammad Khalid, Zahid Shafiq, Muhammad Usman Khan, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·An Efficient Synthesis, Spectroscopic Characterization, and Optical Nonlinearity Response of Novel Salicylaldehyde Thiosemicarbazone Derivatives
ACS Omega · 2021-06-11
Muhammad Khalid, Rifat Jawaria, Muhammad Usman Khan, Ataualpa Albert Carmo Braga, Zahid Shafiq, Muhammad Imran, Hafiz Muhammad Ahmad Zafar, Ahmad Irfan
Read original paper ↗ ·Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2021-06-11
Necmi Dege, Özgen Özge, Davut Avcı, Adi̇l Başoğlu, Fatih Sönmez, M. Yaman, Ömer Tamer, Yusuf Atalay, Belma Zengin Kurt
Read original paper ↗ ·NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units
Arabian Journal of Chemistry · 2021-06-30
Muhammad Khalid, Muhammad Usman Khan, Iqra Shafiq, Riaz Hussain, Khalid Mahmood, Ajaz Hussain, Ajaz Hussain, Rifat Jawaria, Amjad Hussain, Amjad Hussain, Muhammad Imran, Mohammed Ali Assiri, Akbar Ali, Muhammad Fayyaz ur Rehman, Keyu Sun, Yuzhen Li
Read original paper ↗ ·Synthesis, characterization and DFT calculated properties of electron-rich hydrazinylthiazoles: Experimental and computational synergy
Journal of Molecular Structure · 2021-07-07
Hasnain Mehmood, Muhammad Khalid, Muhammad Haroon, Tashfeen Akhtar, Muhammad Haroon Ashfaq, Muhammad Nawaz Tahir, Muhammad Usman Khan, Muhammad Imran, Ataualpa Albert Carmo Braga, Simon Woodward
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 · 2021-07-10
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 ↗ ·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 ↗ ·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 ↗ ·Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties
Royal Society Open Science · 2021-08-01
Muhammad Khalid, Muhammad Usman Khan, Iqra Shafiq, Riaz Hussain, Akbar Ali, Muhammad Imran, Ataualpa Albert Carmo Braga, Muhammad Fayyaz ur Rehman, Muhammad Safwan Akram
Read original paper ↗ ·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 ↗ ·Exploration of Nonlinear Optical Properties of Triphenylamine-Dicyanovinylene Coexisting Donor-π-Acceptor Architecture by the Modification of π-Conjugated Linker
Frontiers in Materials · 2021-08-12
Muhammad Usman Khan, Muhammad Khalid, Sumreen Asim, Momina Momina, Riaz Hussain, Khalid Mahmood, Javed Iqbal M, Muhammad Nadeem Akhtar, Amjad Hussain, Muhammad Imran, Ahmad Irfan, Akbar Ali, Muhammad Fayyaz ur Rehman, Yang Jiang, Changrui Lu
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 · 2021-08-13
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·An effective strategy for tuning nonlinear optical response of N-atom functionalized corannulene by alkali metals doping: First theoretical insight
Computational and Theoretical Chemistry · 2021-08-25
Rabia Nazir, Junaid Yaqoob, Muhammad Usman Khan, Mazhar Amjad Gilani, Muhammad Usman Alvi, Riaz Hussain, Ghulam Mustafa, Mohammed Mujahid Alam, Muhammad Imran
Read original paper ↗ ·Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives
Journal of Saudi Chemical Society · 2021-09-01
Muhammad Usman Khan, Muhammad Khalid, Iqra Shafiq, Rasheed Ahmad Khera, Zahid Shafiq, Rifat Jawaria, Muhammad Shafiq, Mohammed Mujahid Alam, Ataualpa Albert Carmo Braga, Muhammad Imran, Fariha Kanwal, Zhengjie Xu, Changrui Lu
Read original paper ↗ ·Tuning the optoelectronic properties of naphthodithiophene (NDT) for designing of A-D-A type photovoltaic materials
Optik · 2021-09-06
Tehreem Asif, Rasheed Ahmad Khera, Ayesha Naveed, Maham Salim, Javed Iqbal M
Read original paper ↗ ·Tetragonal Silicene and Germanene Quantum Dots: Candidates for Enhanced Nonlinear Optical and Photocatalytic Activity
The Journal of Physical Chemistry C · 2021-09-27
Supriya Ghosal, Subhadip Nath, Arka Bandyopadhyay, Sabyasachi Sen, Debnarayan Jana
Read original paper ↗ ·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 ↗ ·Antibacterial metal complexes of o‐sulfamoylbenzoic acid: Synthesis, characterization, and DFT study
Applied Organometallic Chemistry · 2021-10-06
Waseeq Ahmad Siddiqui, Muhammad Khalid, Adnan Ashraf, Iqra Shafiq, Masood Parvez, Muhammad Imran, Ahmad Irfan, Muhammad Hanif, Muhammad Usman Khan, Falak Sher, Akbar Ali
Read original paper ↗ ·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 ↗ ·Rational Design of Broadly Absorbing Boron Dipyrromethene-Carbazole Dyads for Dye-Sensitized Solar Cells: A DFT Study
ACS Omega · 2021-10-18
Ata Ur Rahman, Muhammad Bilal Khan, Yaseen Muhammad, Gul Rahman
Read original paper ↗ ·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 ↗ ·Microwave-assisted synthesis, DFT theoretical study and biological activities evaluation of two phosphonylated m-toluidine derivatives
Journal of Molecular Structure · 2021-11-17
Ines Haddadi, Abdelkader Hellal, Imene Kirouani, Houdheifa Layaida, Chawki Bensouıcı
Read original paper ↗ ·Design and Synthesis of Triphenylamine Based Cyano Stilbenes for Picric Acid Sensing and Two Photon Absorption Applications
ChemistrySelect · 2021-11-23
Arivalagan Shabashini, Venkadeshkumar Ramar, Karthikeyan Balasubramanian, Manas K. Panda, Ganesh Chandra Nandi
Read original paper ↗ ·Modulation of naphthanthryl chalcone derivatives by push-pull electronic substituents: Ultrafast nonlinear absorption and transient dynamics
Optical Materials · 2021-12-13
Ruipeng Niu, Wenfa Zhou, Yanbing Han, Xingzhi Wu, Junyi Yang, Shuang Chen, Yuxiao Wang, Xueru Zhang, Yinglin Song
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 · 2021-12-28
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 ↗ ·Design of dyes for energy transformation: From the interaction with biological systems to application in solar cells
Elsevier eBooks · 2022-01-01
Paula Homem‐de‐Mello, Cassiano M. Aono, Erica de Liandra-Salvador, Esther M.C. de Lima, Felipe C. T. Antonio, Gabriel S. Mol, Jhonathan Rosa de Souza, Mateus Zanotto, Nauan F.S. Gasperin, Raissa Lohanna Gomes Quintino Corrêa, Renato D. Cunha, Nelaine Mora‐Diez, Mauricio Domingues Coutinho-Neto
Read original paper ↗ ·Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for non-fullerene-based chromophores
RSC Advances · 2022-01-01
Muhammad Nadeem Arshad, Muhammad Khalid, Ghulam shabbir, Mohammad Asad, Abdullah Mohamed Asiri, Maha Moteb Alotaibi, Ataualpa Albert Carmo Braga, Anish Khan
Read original paper ↗ ·