First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites
Khattak, Shaukat Ali, Wabaidur, Saikh Mohammad, Islam, Md Ataul, Husain, Mudasser, Ullah, Irfan, Zulfiqar, Syed, Rooh, Gul, Rahman, Nasir, Khan, Muhammad Salman, Khan, Gulzar, Khan, Tahirzeb, Ghlamallah, Benabdellah
Published in Scientific reports (15.12.2022)
Published in Scientific reports (15.12.2022)
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Journal Article
Ab initio investigation of the physical properties of Tl based chloroperovskites TlXCl3 (X = Ca and Cd)
Zaman, Shams U., Rahman, Nasir, Arif, Muhammad, Saqib, Muhammad, Husain, Mudasser, Bonyah, Ebenezer, Shah, Zahir, Zulfiqar, Syed, Khan, Aurangzeb
Published in AIP advances (01.01.2021)
Published in AIP advances (01.01.2021)
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Journal Article
Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory
Ayub, Gohar, Husain, Mudasser, Sfina, Nourreddine, Khan, Rajwali, Sohail, Mohammad, Waheed, Hafiza Sumaira, Elhadi, Muawya, Abdullaeva, Barno Sayfutdinovna, Rahman, Nasir
Published in Optical and quantum electronics (2024)
Published in Optical and quantum electronics (2024)
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Journal Article
The comparative investigations of structural, optoelectronic, and mechanical properties of AgBeX3 (X = F and Cl) metal halide-perovskites for prospective energy applications utilizing DFT approach
Husain, Mudasser, Rahman, Nasir, Sfina, Nourreddine, Al-Shaalan, Nora Hamad, Alharthi, Sarah, Alharthy, Saif A., Amin, Mohammed A., Tirth, Vineet, Khan, Rajwali, Sohail, Mohammad, Azzouz-Rached, Ahmed, Khattak, Shaukat Ali, Khan, Muhammad Yaqoob
Published in Optical and quantum electronics (01.10.2023)
Published in Optical and quantum electronics (01.10.2023)
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Journal Article
Impact of samarium on magnetic and optoelectronic properties of magnesium-based MgSm2X4 (X = S and Se) spinels for spintronics
Rahman, Nasir, Azzouz-Rached, Ahmed, Husain, Mudasser, Al-Khamiseh, Bashar M., Abualnaja, Khmael M., Alosaimi, Ghaida, Tirth, Vineet, Alqahtani, Hassan, Algahtani, Ali, Al-Mughanam, Tawfiq, Belhachi, Soufyane
Published in PloS one (01.01.2024)
Published in PloS one (01.01.2024)
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Journal Article
First-principles calculations to investigate structural, electronic, optical, and magnetic properties of a scintillating double perovskite halide (Cs2LiCeCl6)
Khawar, Sadia, Afzal, M. Qadeer, Husain, Mudasser, Sfina, Nourreddine, Albalawi, Hind, Naeem, Muhammad Azhar, Rahman, Nasir, Amami, Mongi, Khan, Rajwali, Sohail, Mohammad, Khan, Aurangzeb
Published in Journal of materials research and technology (01.11.2022)
Published in Journal of materials research and technology (01.11.2022)
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Journal Article
Insight into the physical properties of beryllium-based ternary centro-symmetric fluoroperovskites BeXF3 (X = Bi, Y, Al, Sc, and In) compounds using the first-principle approach
Husain, Mudasser, Sajjad, Muhammad, Sfina, Nourreddine, Rahman, Nasir, Tirth, Vineet, Rached, Ahmed Azzouz, Khan, Muhammad Yaqoob
Published in Optical and quantum electronics (01.10.2023)
Published in Optical and quantum electronics (01.10.2023)
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Journal Article
Insight into the Exemplary Physical Properties of Zn-Based Fluoroperovskite Compounds XZnF3 (X = Al, Cs, Ga, In) Employing Accurate GGA Approach: A First-Principles Study
Habib, Anwar, Husain, Mudasser, Sajjad, Muhammad, Rahman, Nasir, Khan, Rajwali, Sohail, Mohammad, Ali, Ismat Hassan, Iqbal, Shahid, Khan, Mohammed Ilyas, Ebraheem, Sara A. M., M. El-Sabrout, Ahmed, Elansary, Hosam O.
Published in Materials (05.04.2022)
Published in Materials (05.04.2022)
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Journal Article
Numerical simulation studies of the new quaternary MAX phase as future engineering applications: The case study of the Nb2ScAC2 (A = Al, Si) compounds
Azzouz-Rached, Ahmed, Bendjemai, Mohammed, Husain, Mudasser, Bentouaf, Ali, Rekab-Djabri, Hamza, Tirth, Vineet, Algahtani, Ali, Al-Mughanam, Tawfiq, Alghtani, Abdulaziz H, Alrobei, Hussein, Elhadi, Muawya, Rahman, Nasir
Published in Scientific reports (22.12.2023)
Published in Scientific reports (22.12.2023)
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Journal Article
Ab-initio investigation of structural, optoelectronic, and transport properties of metal-alkali-based binary chalcogenides, X2Te [X = Na, K, Rb]: Rb2Te a potential candidate for UV-shielding and thermoelectric devices
Khattak, Shaukat Ali, Dinar, Falak, Iqbal, Kalsoom, Abohashrh, Mohammed, Ahmad, Imtiaz, Husain, Mudasser, Rooh, Gul, Zulfiqar, Syed, Ullah, Irfan, Rahman, Nasir, Khan, Tahirzeb, Khan, Gulzar, Shah, Said Karim, Tirth, Vineet
Published in Journal of materials research (14.05.2023)
Published in Journal of materials research (14.05.2023)
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Journal Article
Predicting structural, optoelectronic and mechanical properties of germanium based AGeF3 (A = Ga and In) halides perovskites using the DFT computational approach
Husain, Mudasser, Rahman, Nasir, Amami, Mongi, Zaman, Tahir, Sohail, Mohammad, Khan, Rajwali, Khan, Abid Ali, Shah, Saima Ahmad, Saeedullah, Khan, Aurangzeb, Reshak, Ali H., Al-Shaalan, Nora Hamad, Alharthi, Sarah, Alharthy, Saif A., Amin, Mohammed A., Tirth, Vineet
Published in Optical and quantum electronics (01.06.2023)
Published in Optical and quantum electronics (01.06.2023)
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Journal Article
Oxygen vacancies induced variations in structural, optical and dielectric properties of SnO2/graphite nanocomposite
Zulfiqar, Khan, Sardar Ali, Rahman, Nasir, Khan, Tahirzeb, Khan, RajWali, Khan, Majid, Shah, Sufaid, Ali, Shahid, Tang, Hua, Hussain, Shahid, Husain, Mudasser, Rehman, Muneeb Ur
Published in Journal of materials science. Materials in electronics (2021)
Published in Journal of materials science. Materials in electronics (2021)
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Journal Article
First-principles calculations to investigate structural, elastic, optical, and thermoelectric properties of narrow band gap semiconducting cubic ternary fluoroperovskites barium based BaMF3 (M = Ag and Cu) compounds
Rahman, Nasir, Husain, Mudasser, Khan, Rajwali, Sohail, Mohammad, Zaman, Tahir, Khan, Abid Ali, Murtaza, Ghulam, Neffati, Riadh, Khan, Aurangzeb
Published in Journal of materials research and technology (01.11.2022)
Published in Journal of materials research and technology (01.11.2022)
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Journal Article
Investigating the structural, elastic, and optoelectronic properties of LiXF3 (X = Cd, Hg) using the DFT approach for high-energy applications
Jehan, Aiman, Husain, Mudasser, Rahman, Nasir, Tirth, Vineet, Sfina, Nourreddine, Elhadi, Muawya, Shah, Saima Ahmad, Azzouz-Rached, Ahmed, Uzair, Muhammad, Khan, Aurangzeb, Khan, Saima Naz
Published in Optical and quantum electronics (01.02.2024)
Published in Optical and quantum electronics (01.02.2024)
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Journal Article
DFT study of structural, elastic and optoelectronic characteristics of novel Rb2CaSnX6 (X = Cl, I) double halide perovskites for optoelectronic applications
Khattak, Shaukat Ali, Wabaidur, Saikh Mohammad, Alothman, Asma A., Husain, Mudasser, Ali, Malak Azmat, Rahman, Nasir, Ullah, Irfan, Zulfiqar, Syed, Rooh, Gul, Khan, Tahirzeb, Khan, Gulzar
Published in Optical and quantum electronics (06.08.2024)
Published in Optical and quantum electronics (06.08.2024)
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Journal Article
Utilizing density functional theory (DFT) approach for predicting the optoelectronic, structural, and magnetic properties of the spin-polarized scintillating bromo-elpasolite Cs2LiCeBr6
Khawar, Sadia, Husain, Mudasser, Afzal, M. Qadeer, Rahman, Nasir, Tirth, Vineet, Algahtani, Ali, Alghtani, Abdulaziz H., Al-Mughanam, Tawfiq, Rached, Ahmed Azzouz, Alrobei, Hussein
Published in Optical and quantum electronics (01.10.2023)
Published in Optical and quantum electronics (01.10.2023)
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Journal Article
Insight into the structural, optoelectronic, and elastic properties of AuXF3 (X = Ca, Sr) fluoroperovskites: DFT study
Jehan, Aiman, Husain, Mudasser, Bibi, Safia, Rahman, Nasir, Tirth, Vineet, Azzouz-Rached, Ahmad, Khan, Muhammad Yaqoob, Nasir, Mohammad, Inayat, Kalsoom, Khan, Aurangzeb, Khan, Saima Naz
Published in Optical and quantum electronics (01.12.2023)
Published in Optical and quantum electronics (01.12.2023)
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Journal Article
First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology
Rahman, Nasir, Husain, Mudasser, Ahmad, Younas, Azzouz-Rached, Ahmed, Al-khamiseh, Bashar. M., Asad, Muhammad, Hussain, Akhlaq, Ahmad, Rashid, Hamza, Rekab-Djabri, Tirth, Vineet, Abualnaja, Khamael M, Alosaimi, Ghaida, Humayun, Q., Belhachi, Soufyane, Samreen, Ayesha, Uzair, Muhammad
Published in Optical and quantum electronics (06.07.2024)
Published in Optical and quantum electronics (06.07.2024)
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Journal Article
Structure phase-induced photodegradation properties of cobalt-sulfur co-doped TiO2 nanoparticles synthesized by hydrothermal route
Saqib, Muhammad, Rahman, Nasir, Safeen, Kashif, Mekkey, Saleh D., Salem, Mohamed A., Safeen, Akif, Husain, Mudasser, Zaman, Shams u, Abdullaev, Sherzod, Kalsoom, Azra, El-Bahy, Zeinhom M., Khan, Rajwali
Published in Journal of materials research and technology (01.09.2023)
Published in Journal of materials research and technology (01.09.2023)
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Journal Article