Search Results - "Azam, Sikander"

Proposal of new stable ABC2 type ternary semiconductor pnictides K3Cu3P2 and K3Ni3P2: First‐principles calculations and prospects for thermosphysical and optoelectronic applications by Irfan, Muhammad, Azam, Sikander, Iqbal, Azmat

“…Summary The ABC2 type ternary semiconductors have attracted much attention owing to their increasing fundamental and technological interest in optoelectronic,…”
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Electronic and Thermoelectric Properties of Ternary Chalcohalide Semiconductors: First Principles Study by Khan, Wilayat, Hussain, Sajjad, Minar, Jan, Azam, Sikander

“…Ternary chalcohalides have been widely utilized for different device applications. The thermoelectric properties of SbSI, SbSeI and SbSBr have been…”
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Ab initio prediction of optoelectronic and thermoelectric behavior of Eu‐doped Zn2SnO4 using GGA + U functional: A study for optoelectronic devices by Aamer, Muhammad, Azam, Sikander, Javed, Muhammad Usman, Neffati, R., Amami, Mongi, Khan, W.

“…To understand the electronic structure and optical properties of Zn2SnO4 and Eu‐doped compounds, we utilized the full potential linearized augmented plane wave…”
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Insights into the DFT‐computed electronic and optical properties of binary and doped: Selenide for optoelectronic applications by Aamer, Muhammad, Rafiq, Qaiser, Hayat, Sardar Sikandar, Khan, Muhammad Tahir, Azam, Sikander, Albaqami, Munirah D., Mohammad, Saikh

“…This study investigates the alterations in structural, electronic, and optical characteristics of ZnSe1−x Inx (x = 0%, 12.5%, 25%) employing the framework of…”
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Optoelectronic and Thermoelectric Properties of Bi2OX 2 (X = S, Se, Te) for Solar Cells and Thermoelectric Devices by Sikander Azam, Khan, Saleem Ayaz, Goumri-Said, Souraya

“…We have explored the optoelectronic structure and related thermoelectric properties of Bi2OX2 (X = S, Se, Te) using density functional theory and spin–orbit…”
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Investigation of electronic and optical properties of the ternary chalcogenides for optoelectronic applications: A TB-mBJ DFT study by Goumri-Said, Souraya, Shah, Mazhar Ali, Azam, Sikander, Irfan, Muhammad, Kanoun, Mohammed Benali

“…Ternary selenide chalcogenide Tl3AsSe3 compound was identified as one of the most promising novel materials and potentially appropriate for multifunction…”
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Investigating the Optoelectronic Properties of 2‐D and 3‐D CaTi1−xCuxO3 as a Phosphor Materials: A Density Functional Theory Approach by Malik, Naqash H., Rafiq, Qaiser, Nasir, Muhammad Farooq, Azam, Sikander, Khan, Muhammad Tahir, Mersal, Gaber A. M., Hessien, Mahmoud M.

“…ABSTRACT The CaTiO3 has been extensively investigated as a highly promising optical material mostly for its optoelectronic properties and its function as a…”
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Density functional theory-based quantum-computational analysis on the strain-assisted phononic, electronic, photocatalytic properties and thermoelectric performance of monolayer Janus SnSSe by Ali, Hussain, Farooq, Muhammad, Khan, Fawad, Ahmad, Sheraz, Amin, Bin, Azam, Sikander, Bashir, Azmat Iqbal

“…Proposal of hydrogen production as an alternative energy source via water dissociation is one of the possible ways forward to cope with the challenge of…”
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Enlightening the impact of TM doping on structural, electronic and magnetic properties of ceria for ReRAM applications: a GGA + U study by Mirza, Shafaat Hussain, Azam, Sikander, Abbas, Zeesham, Muhammad, Shabbir

“…Over the last few decades, despite significant advancements in oxide-based ReRAM (resistive random-access memory) devices, science and technology have faced…”
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Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO3 (1 1 1) surface for advanced energy harvesting applications: A comprehensive study by Rafiq, Qaiser, Khan, Muhammad Tahir, Azam, Sikander, Rahman, Amin, Hayat, Sardar Sikandar, Alanazi, Yousef Mohammed, Ahmad, Syed Sheraz

“…This study aimed to comprehensively investigate the optoelectronic and magnetic properties of Mo, Zn/LiNbO3 (1 1 1) material. The primary objectives were to…”
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Spin-Dependent First-Principles Study on Optoelectronic Properties of Neodymium Zirconates Pyrochlores Nd2Zr2O7 in Fd-3m and Pmma Phases by Qayyum, Azhar, Azam, Sikander, Reshak, Ali H., Akbar, Jehan, Abbas, Zeesham, Ullah, Haseen, Ramli, Muhammad M.

“…Rare-earth zirconate pyrochlores (RE2Zr2O7) are of much fundamental and technological interest as optoelectronic, scintillator and thermal barrier coating…”
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Electrifying insights: coulombic influence on optoelectronic behavior of Eu and Gd doped K4SrSi3O9 investigated via first-principles calculations for solar cell innovation by Aamer, Muhammad, Azam, Sikander, Rahman, Amin Ur, Jawad, Muhammad, Khan, Wilayat, Fallatah, Ahmed M., Mahmoud, M. H. H.

“…Excellent thermal and chemical stability is a natural result of silicates’ rigid structural design. Due to these factors, silicate-based photonic materials…”
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Effects of compressed strain on thermoelectric properties of Cu3SbSe4 by Irfan, Muhammad, Abbas, Zeesham, Khan, SaleemAyaz, Sohail, Mohammad, Rani, Malika, Azam, Sikander, Kityk, I.V.

“…Recently Cu3SbSe4 have attracted enhanced an interest due to abundant potential for extensive thermoelectric applications. To get a complete prediction of its…”
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Investigating the chemical and physical aspects: optical and electrical properties of TiO2, TiO2: Fe, and Fe/ TiO2 (111) through DFT analysis by Rafiq, Qaiser, Azam, Sikander, Hayat, Sardar Sikandar, Javed, Usman, Mahmood, Asif, Khan, Saleem Ayaz

“…The development of a thin film titanium dioxide (TiO 2 ) depends on an understanding of complex electronic structure and charge transport properties. The…”
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Exploring fundamental properties of Mg0.915A0.085H2 (A = Ti, Fe) for potential hydrogen storage application: First‐principles study by Irfan, Muhammad, Azam, Sikander, Vu, Tuan V., Goumri‐Said, Souraya

“…Summary The optoelectronic properties of the efficient hydrogen storage material Mg0.915A0.085H2 (A = Ti, Fe), have been explored in detail using the most…”
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Optoelectronic Structure and Related Transport Properties of Ag2Sb2O6 and Cd2Sb2O7 by Irfan, Muhammad, Hussain, Safdar, Khan, Saleem Ayaz, Goumri-Said, Souraya, Azam, Sikander

“…Using the full-potential linearized augmented-plane wave method, the electronic structure and thermoelectric properties of Ag 2 Sb 2 O 6 and Cd 2 Sb 2 O 7…”
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Tailoring of optoelectronic and thermal properties of silver doped tin selenide alloy for optoelectronic applications by Rafiq, Qaiser, Hayat, Sardar Sikandar, Azam, Sikander, Rahman, Amin Ur, Azab, Islam H. El, Mahmoud, M.H.H., Irfan, Muhammad

“…We investigated the theoretical effects of doping on the photovoltaic properties of SnₓAg₁₋ₓSe. The energy band structure and optical features of SnₓAg₁₋ₓSe…”
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First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical Properties by Makhdoom, Madiha, Jamil, Muhammad Imran, Azam, Sikander, Irfan, Muhammad, Abbas, Zeesham, Gul, Banat, Khan, Saleem Ayaz, Wang, Xiaotian

“…A hydrogen storage material can also be used as a potential and effective solid reducing agent in addition to its applications as an important energy carrier…”
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A Systematic First-Principles Investigation of Structural, Electronic, Magnetic, and Thermoelectric Properties of Thorium Monopnictides ThPn (Pn = N, P, As): A Comparative Analysis of Theoretical Predictions of LDA, PBEsol, PBE-GGA, WC-GGA, and LDA + U Methods by Siddique, Muhammad, Rahman, Amin Ur, Iqbal, Azmat, Haq, Bakhtiar Ul, Azam, Sikander, Nadeem, Asif, Qayyum, Abdul

“…Thorium pnictides, besides their simple electronic structure, have been in the spotlight because of unique mechanical, electronic, and thermal properties. In…”
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Screening Pipeline for Flavivirus Based Inhibitors for Zika Virus NS1 by Raza, Saad, Abbas, Ghulam, Azam, Syed Sikander

“…In-silico pipeline is applied for identifying and designing novel inhibitors against ZIKV NS1 protein. Comparative molecular docking studies are performed to…”
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