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RESEARCH PAPER · Journal of Alloys and Compounds · 2019

Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q = S, Se) chalcogenide crystals

Sikander Azam, Muhammad Irfan, Zeesham Abbas, Saleem Ayaz Khan, Ivan V. Kityk, Tanzila Kanwal, M. Sohail, Shabbir Muhammad, Abdullah Godran Al-Sehemi

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42 direct citing works

Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q = S, Se) chalcogenide crystalsOriginalA review on perovskite lanthanum aluminate (LaAlO3), its properties and applications75Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design38Electronic and thermoelectric properties of chalcopyrite compounds Cu2(XY)S4 (X = Zn, Cd and Y = Sn, Pb): first-principles study15A systematic study on optoelectronic properties of Mn 4+ -activated Zr-based hexafluoride red phosphors X 2 ZrF 6 (X = K, Na, Cs): first-principles investigation and prospects for warm-white LEDs applications20Effect of Nb, Ta and V replacements on electronic, optical and elastic properties of NbCu3Se4: A GGA+U study48Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method45Effect of S, Se and Te replacement on structural, optoelectronic and transport properties of SrXO4 (X= S, Se, Te) for energy applications: A first principles study21A DFT+U study of the effect of transition metal replacements on optoelectronic and elastic properties of TmCu3S4 (Tm = V, Ta, Nb)34First-principles study of opto-electronic and thermoelectric properties of SrCdSnX4 (X=S, Se, Te) alkali metal chalcogenides35Impact of Molybdenum Dichalcogenides on the Active and Hole‐Transport Layers for Perovskite Solar Cells, X‐Ray Detectors, and Photodetectors48Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX2@CNT Nanocomposite-Tuned Perovskite Layers27Ab-initio study of Nb-based complex materials: A new class of materials for optoelectronic applications33First-principles calculations to investigate electronic, optical, and thermoelectric properties of Na2GeX3 (X = S, Se, Te) for energy applications36Systematic study on the optoelectronic and elastic properties of Cu-based ternary chalcogenides: Using ab-initio Approach32Novel synthesis of copper sulfide plate-assembled hollow cages as electrocapacitive material of energy storage device8First-principles calculations of structural, electronic, optical and thermoelectric properties of doped binary chalcogenides Sn1-xAxSe (A= Au and Ag) for energy applications18Conductive origin and design principles of electrically controllable high conductivity La-doped perovskites4First-principles quantum analysis of structural, optoelectronic, thermoelectric and thermodynamic properties of niobium-based pyrochlore oxides A2Nb2O7 (A = Ba, Mg, and Sr) for energy harvesting applications9Ultraviolet active novel chalcogenides BAlTe 2 (B = Rb, Cs): the structural, optoelectronic, mechanical, and vibrational properties for energy harvesting applications through first principles approach13Density-functional quantum analysis of optoelectronic, elastic, thermodynamic and hydrogen storage properties of AMgH3 (A= be, ca) perovskite-type hydrides: Prospects for clean energy hydrogen-storage fuel and optoelectronic applications106A systematic first-principles investigation of the structural, electronic, optical, thermodynamic and transport properties of lead-free pyrochlore oxides Q2Sb2O7 (Q= Be, Ca, Sr) for low-Cost energy applications20First-principles calculations to investigate electronic, magnetic, and optical properties at (110) and (111) surfaces of Ni adsorption on CdO3Investigating the effect of Ca-doping concentration on optical and electronic properties of RaTiO3 for energy applications0DFT Analysis of Transition Metal ( TM ) Substitutions on Cu‐Based Chalcogenides: Structural, Electronic, and Thermophysical Properties for Interface Thermal Performance and Energy3Novel Cu1+xMn1-xSeTe nanostructure fabrication by simple microwave synthesis for potential photodetection and dielectric applications2First principles insight of Cu2CdMSe4 (M = Zr, Hf) quaternary chalcogenides as eco-friendly materials for optoelectronic and photovoltaic applications9Enlightening the pressure induced innovations in the physical properties of dynamically stable double perovskites Q2FeH6 (Q = Ca, Mg) for hydrogen-storage applications12

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27 direct citing papers saved.

  1. A review on perovskite lanthanum aluminate (LaAlO3), its properties and applications

    Materials Research Express · 2019-09-19

    Muhammad Rizwan, Samina Gul, Tahir Iqbal, Uzma Mushtaq, M Hassan Farooq, Muhammad Tariq Farman, Rabia Bibi, Mohsin Ijaz

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  2. Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design

    Chemistry of Materials · 2020-01-30

    Jon‐Paul Sun, Garrett C. McKeown Wessler, Tianlin Wang, Tong Zhu, Volker Blüm, David B. Mitzi

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  3. Electronic and thermoelectric properties of chalcopyrite compounds Cu2(XY)S4 (X = Zn, Cd and Y = Sn, Pb): first-principles study

    Indian Journal of Physics · 2020-03-04

    Hassan Ahmoum, Mohd Sukor Su’ait, Guoqing Li, Siddheshwar Chopra, M. Boughrara, Q. Wang, M. Kerouad, P. Raics

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  4. A systematic study on optoelectronic properties of Mn 4+ -activated Zr-based hexafluoride red phosphors X 2 ZrF 6 (X = K, Na, Cs): first-principles investigation and prospects for warm-white LEDs applications

    Physica Scripta · 2020-10-30

    Zeesham Abbas, Sikander Azam, Azmat Iqbal Bashir, Asia Marriam, Muhammad Waqas, Thamraa M. Alshahrani, Bakhtiar Ul Haq

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  5. Effect of Nb, Ta and V replacements on electronic, optical and elastic properties of NbCu3Se4: A GGA+U study

    Journal of Solid State Chemistry · 2021-06-12

    Zeesham Abbas, Nawishta Jabeen, Ahmad Hussain, Md Faisal Kabir, Thamraa M. Alshahrani, Hafiz Hamid Raza, Shabbir Muhammad, Sikander Azam, Izabela Gorczyca

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  6. Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method

    Journal of Solid State Chemistry · 2021-10-01

    Muhammad Abubakr, Kisa Fatima, Zeesham Abbas, Izabela Gorczyca, Muhammad Imran Irfan, Shabbir Muhammad, Muhammad Asad Khan, Saleh S. Alarfaji

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  7. Effect of S, Se and Te replacement on structural, optoelectronic and transport properties of SrXO4 (X= S, Se, Te) for energy applications: A first principles study

    Journal of Solid State Chemistry · 2021-11-01

    Muhammad Abubakr, Kisa Fatima, Zeesham Abbas, Ahmad Hussain, Nawishta Jabeen, Hafiz Hamid Raza, Youness Chaib, Shabbir Muhammad, Saifeldin M. Siddeeg, Izabela Gorczyca

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  8. A DFT+U study of the effect of transition metal replacements on optoelectronic and elastic properties of TmCu3S4 (Tm = V, Ta, Nb)

    Optik · 2021-11-05

    Zeesham Abbas, Kisa Fatima, Muhammad Abubakr, Izabela Gorczyca, Thamraa M. Alshahrani, Shabbir Muhammad, Abdullah Godran Al-Sehemi

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  9. First-principles study of opto-electronic and thermoelectric properties of SrCdSnX4 (X=S, Se, Te) alkali metal chalcogenides

    Computational Condensed Matter · 2021-12-13

    Muhammad Irfan, Sikander Azam, Alaa Dahshan, Issam El Bakkali, Khalid Nouneh

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  10. Impact of Molybdenum Dichalcogenides on the Active and Hole‐Transport Layers for Perovskite Solar Cells, X‐Ray Detectors, and Photodetectors

    Small · 2022-02-10

    Dhanasekaran Vikraman, Hailiang Liu, Sajjad Hussain, Syed Hassan Abbas Jaffery, K. Karuppasamy, Eun‐Bee Jo, Zeesham Abbas, Jongwan Jung, Jungwon Kang, Hyun‐Seok Kim

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  11. Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX2@CNT Nanocomposite-Tuned Perovskite Layers

    ACS Applied Materials & Interfaces · 2022-07-14

    Hailiang Liu, Sajjad Hussain, Zeesham Abbas, Jehoon Lee, Syed Hassan Abbas Jaffery, Jongwan Jung, Hyun‐Seok Kim, Dhanasekaran Vikraman, Jungwon Kang

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  12. Ab-initio study of Nb-based complex materials: A new class of materials for optoelectronic applications

    Journal of Computational Science · 2022-07-22

    Zeesham Abbas, Kisa Fatima, Syed Hassan Abbas Jaffery, Asif Ali, Hafiz Hamid Raza, Shabbir Muhammad, H. Algarni, Sajjad Hussain, Jongwan Jung

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  13. First-principles calculations to investigate electronic, optical, and thermoelectric properties of Na2GeX3 (X = S, Se, Te) for energy applications

    Materials Science in Semiconductor Processing · 2022-11-15

    Zeesham Abbas, Kisa Fatima, Izabela Gorczyca, Syed Hassan Abbas Jaffery, Asif Ali, Muhammad Irfan, Hafiz Hamid Raza, H. Algarni, Shabbir Muhammad, H. Teisseyre, Sajjad Hussain, Saifeldin M. Siddeeg, Jongwan Jung

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  14. Systematic study on the optoelectronic and elastic properties of Cu-based ternary chalcogenides: Using ab-initio Approach

    Materials Science in Semiconductor Processing · 2023-04-24

    Muhammad Abubakr, Zeesham Abbas, Shania Rehman, Najam Ul Hassan, Ahmad A. Ifseisi, Muhammad Asghar Khan, Muhammad Asghar Khan, Honggyun Kim, Honggyun Kim, Karim Khan, Karim Khan, Deok‐kee Kim, Muhammad Farooq Khan, Muhammad Farooq Khan

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  15. Novel synthesis of copper sulfide plate-assembled hollow cages as electrocapacitive material of energy storage device

    Journal of Solid State Chemistry · 2023-05-05

    Yu-Hsuan Chiu, Ren‐Jei Chung, Sibidou Yougbaré, Lu‐Yin Lin

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  16. First-principles calculations of structural, electronic, optical and thermoelectric properties of doped binary chalcogenides Sn1-xAxSe (A= Au and Ag) for energy applications

    Journal of Solid State Chemistry · 2023-09-28

    Zeesham Abbas, Kisa Fatima, Sajjad Hussain, Samah Al‐Qaisi, Amna Parveen, Shabbir Muhammad, Aijaz Rasool Chaudhry, Abdullah Godran Al-Sehemi, Muhammad Aslam

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  17. Conductive origin and design principles of electrically controllable high conductivity La-doped perovskites

    Journal of Materials Chemistry A · 2024-01-01

    Xin Hu, Jingang Qi, Xing Fu, Juntao Liu, Sifan Qiao, Yong Gao, Rongda Zhao, Jian Shang, Liang Liu, Lidan Tang, Wei Zhang

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  18. First-principles quantum analysis of structural, optoelectronic, thermoelectric and thermodynamic properties of niobium-based pyrochlore oxides A2Nb2O7 (A = Ba, Mg, and Sr) for energy harvesting applications

    Inorganic Chemistry Communications · 2024-02-01

    Zeesham Abbas, Muhammad Kashif Rasheed, Aminah Alqahtani, Amna Parveen, Muhammad Aslam

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  19. Ultraviolet active novel chalcogenides BAlTe 2 (B = Rb, Cs): the structural, optoelectronic, mechanical, and vibrational properties for energy harvesting applications through first principles approach

    Optical Materials Express · 2024-02-02

    Rabail Fatima, R.M. Arif Khalil, Muhammad Iqbal Hussain, Fayyaz Hussain

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  20. Density-functional quantum analysis of optoelectronic, elastic, thermodynamic and hydrogen storage properties of AMgH3 (A= be, ca) perovskite-type hydrides: Prospects for clean energy hydrogen-storage fuel and optoelectronic applications

    International Journal of Hydrogen Energy · 2024-02-19

    Zeesham Abbas, Zeeshan Zafar, Hafiz Hamid Raza, Amna Parveen, Shoyebmohamad F. Shaikh

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  21. A systematic first-principles investigation of the structural, electronic, optical, thermodynamic and transport properties of lead-free pyrochlore oxides Q2Sb2O7 (Q= Be, Ca, Sr) for low-Cost energy applications

    Journal of Physics and Chemistry of Solids · 2024-03-11

    Zeesham Abbas, Kisa Fatima, Shafaat Hussain Mirza, Hafiz Hamid Raza, Shoyebmohamad F. Shaikh, Amna Parveen

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  22. First-principles calculations to investigate electronic, magnetic, and optical properties at (110) and (111) surfaces of Ni adsorption on CdO

    Molecular Physics · 2024-04-18

    Qaiser Rafiq, Sardar Sikandar Hayat, Sikander Azam

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  23. Investigating the effect of Ca-doping concentration on optical and electronic properties of RaTiO3 for energy applications

    Chemical Papers · 2024-10-04

    Zeesham Abbas, Amna Parveen, Abdullah M. Al‐Enizi

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  24. DFT Analysis of Transition Metal ( TM ) Substitutions on Cu‐Based Chalcogenides: Structural, Electronic, and Thermophysical Properties for Interface Thermal Performance and Energy

    International Journal of Quantum Chemistry · 2024-10-12

    Zeesham Abbas, Shafaat Hussain Mirza, Amna Parveen, Muhammad Aslam, Anatoly Fedorovich Zatsepin, Abdelmohsen A. Nassani

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  25. Novel Cu1+xMn1-xSeTe nanostructure fabrication by simple microwave synthesis for potential photodetection and dielectric applications

    Surfaces and Interfaces · 2024-11-23

    Subhashree Das, Subrata Senapati, Satish K. Samal, Ramakanta Naik

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  26. First principles insight of Cu2CdMSe4 (M = Zr, Hf) quaternary chalcogenides as eco-friendly materials for optoelectronic and photovoltaic applications

    Inorganic Chemistry Communications · 2025-01-31

    Rabail Fatima, R.M. Arif Khalil, Muhammad Iqbal Hussain

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  27. Enlightening the pressure induced innovations in the physical properties of dynamically stable double perovskites Q2FeH6 (Q = Ca, Mg) for hydrogen-storage applications

    Journal of Energy Storage · 2025-08-18

    Shafaat Hussain Mirza, Muhammad Adnan Samhi, Cai‐Hong Zhan, Shahid Iqbal

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