Exploration of the Intriguing Photovoltaic Behavior for Fused Indacenodithiophene-Based A–D–A Conjugated Systems: A DFT Model Study

por Arshad, Muhammad Nadeem, Shafiq, Iqra, Khalid, Muhammad, Asiri, Abdullah M.
Publicado 2022

Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study

por Shafiq, Iqra, Khalid, Muhammad, Asghar, Muhammad Adnan, Baby, Rabia, Braga, Ataualpa A. C., Alshehri, Saad M., Ahmed, Sarfraz
Publicado 2023

Efficient Synthesis, Spectroscopic Characterization, and Nonlinear Optical Properties of Novel Salicylaldehyde-Based Thiosemicarbazones: Experimental and Theoretical Studies

por Bullo, Saifullah, Jawaria, Rifat, Faiz, Iqra, Shafiq, Iqra, Khalid, Muhammad, Asghar, Muhammad Adnan, Baby, Rabia, Orfali, Raha, Perveen, Shagufta
Publicado 2023

Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach

por Khalid, Muhammad, Shafiq, Iqra, Asghar, Muhammad Adnan, Braga, Ataualpa Albert Carmo, Alshehri, Saad M., Haroon, Muhammad, Sanyang, Muhammed Lamin
Publicado 2023

First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores

por Khalid, Muhammad, Ahmed, Rameez, shafiq, Iqra, Arshad, Muhammad, Asghar, Muhammad Adnan, Munawar, Khurram Shahzad, Imran, Muhammad, Braga, Ataualpa A. C.
Publicado 2022

Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration

por Tahir, Muhammad Nawaz, Ali, Akbar, Khalid, Muhammad, Ashfaq, Muhammad, Naveed, Mubashir, Murtaza, Shahzad, Shafiq, Iqra, Asghar, Muhammad Adnan, Orfali, Raha, Perveen, Shagufta
Publicado 2023

Design, Synthesis, and Density Functional Theory Studies of Indole Hydrazones as Colorimetric “Naked Eye” Sensors for F Ions

por Alharthy, Rima D., Ahmed, Nadeem, Mubarak, Saman, Yaqub, Muhammad, Khalid, Muhammad, Shafiq, Iqra, Asghar, Muhammad Adnan, Braga, Ataualpa Albert Carmo, Shafiq, Zahid
Publicado 2023

Multicomponent synthesis of pyrido[2,3-b]pyrazine derivatives: electrochemical DNA sensing, nonlinear optical properties and biological activity

por Rashid, Muhammad, Khalid, Muhammad, Ashraf, Abida, Saleem, Tahira, Shafiq, Iqra, Shakil, Muhammad Azeem, Zainab, Briha, El-kott, Attalla F., Yaqub, Muhammad, Shafiq, Zahid
Publicado 2023

Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach

por Khalid, Muhammad, Arshad, Muhammad Nadeem, Murtaza, Shahzad, Shafiq, Iqra, Haroon, Muhammad, Asiri, Abdullah M., Figueirêdo de AlcântaraMorais, Sara, Braga, Ataualpa A. C.
Publicado 2022

Effect of different end-capped donor moieties on non-fullerenes based non-covalently fused-ring derivatives for achieving high-performance NLO properties

por Khalid, Muhammad, Shafiq, Iqra, Umm-e-Hani, Mahmood, Khalid, Hussain, Riaz, ur Rehman, Muhammad Fayyaz, Assiri, Mohammed A., Imran, Muhammad, Akram, Muhammad Safwan
Publicado 2023

Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: A theoretical perspective

por Khalid, Muhammad, Khan, Mashal, Shafiq, Iqra, Mahmood, Khalid, Nadeem Akhtar, Muhammad, Iqbal, Javed, Al-Sadoon, Mohammad Khalid, Zaman, Wajid, Carmo Braga, Ataualpa Albert
Publicado 2023

Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A(2)-π(2)-A(1)-π(1)-A(2) Configuration: A DFT-Based Exploration

por Arshad, Muhammad Nadeem, Shafiq, Iqra, Khalid, Muhammad, Asad, Mohammad, Asiri, Abdullah M., Alotaibi, Maha M., Braga, Ataualpa A. C., Khan, Anish, Alamry, Khalid A.
Publicado 2023

Quantum Chemical Exploration of A−π(1)–D(1)–π(2)–D(2)-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear Optical Properties...

por Mustafa, Ghulam, Shafiq, Iqra, Shaikh, Qurat-ul-ain, Mustafa, Ayesha, Zahid, Romaisa, Rasool, Faiz, Asghar, Muhammad Adnan, Baby, Rabia, Alshehri, Saad M., Haroon, Muhammad
Publicado 2023

Theoretical Perspective toward Designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors

por Shafiq, Iqra, Mustafa, Ayesha, Zahid, Romaisa, Baby, Rabia, Ahmed, Sarfraz, Asghar, Muhammad Adnan, Ahamad, Tansir, Alam, Manawwer, Braga, Ataualpa A. C., Ojha, Suvash Chandra
Publicado 2023

Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties

por Khalid, Muhammad, Khan, Muhammad Usman, Shafiq, Iqra, Hussain, Riaz, Ali, Akbar, Imran, Muhammad, Braga, Ataualpa A. C., Fayyaz ur Rehman, Muhammad, Akram, Muhammad Safwan
Publicado 2021