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RESEARCH PAPER · Optik · 2020

Optoelectronic properties of Nd3+ doped CaTa2O6: Insights from the GGA + U calculations

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Optoelectronic properties of Nd3+ doped CaTa2O6: Insights from the GGA + U calculationsOriginalMolecular Dynamics Study on the Leaching of Zinc-Bearing Dust Sludge by Choline Chloride-Malonic Acid21Proposition of new stable rare-earth ternary semiconductor sulfides of type LaTlS2 (La= Er, Eu, Tb): Ab-initio study and prospects for optoelectronic, spintronic and thermoelectric applications39First-principles calculations to investigate structural, electronic, optical, elastic and thermodynamic properties of Yb3Q5 (Q=Ge, Si) for energy applications17Density-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 applications106Relativistic effects in the band structure of Nd-doped La2O3: A DFT-based computational study employing GGA+U+SOC approach for optical and thermoelectric optimization in PC-LEDs1Enlightening 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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  1. Molecular Dynamics Study on the Leaching of Zinc-Bearing Dust Sludge by Choline Chloride-Malonic Acid

    Minerals · 2021-09-30

    Jinxia Zhang, Chao Yang, Fusheng Niu, Shuling Gao, Jiajing Dong

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  2. Proposition of new stable rare-earth ternary semiconductor sulfides of type LaTlS2 (La= Er, Eu, Tb): Ab-initio study and prospects for optoelectronic, spintronic and thermoelectric applications

    Materials Science in Semiconductor Processing · 2022-03-28

    Zeesham Abbas, Kisa Fatima, Izabela Gorczyca, Muhammad Imran Irfan, Najla F. Alotaibi, Thamraa M. Alshahrani, Hafiz Hamid Raza, Shabbir Muhammad

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  3. First-principles calculations to investigate structural, electronic, optical, elastic and thermodynamic properties of Yb3Q5 (Q=Ge, Si) for energy applications

    Optik · 2023-10-28

    Zeesham Abbas, Kisa Fatima, Shabbir Muhammad, H. Algarni, Amna Parveen, Muhammad Rizwan Aslam, Sajjad Hussain

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  4. 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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  5. Relativistic effects in the band structure of Nd-doped La2O3: A DFT-based computational study employing GGA+U+SOC approach for optical and thermoelectric optimization in PC-LEDs

    Physica B Condensed Matter · 2025-06-09

    Salman Ahmad

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  6. 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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