A Comprehensive Study on Methods and Materials for Photocatalytic Water Splitting and Hydrogen Production as a Renewable Energy Resource von Rafique, Muhammad, Mubashar, Rikza, Irshad, Muneeb, Gillani, S. S. A., Tahir, M. Bilal, Khalid, N. R., Yasmin, Aqsa, Shehzad, M. Aamir

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A comprehensive DFT study to evaluate the modulation in the band gap, elastic, and optical behaviour of CsPbBr3 under the effect of stress von Zaidi, S M Junaid, Khan, M Ijaz, Gillani, S S A, Sahar, M Sana Ullah, Ullah, Sana, Tanveer, Muhammad

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Effect of mixed halide contents on structural, electronic, optical and elastic properties of CsSnI3−xBrx for solar cell applications: first-principles study von Shakil, M, Akram, Arfan, Zeba, I, Ahmad, Riaz, Gillani, S S A, Gadhi, M Asghar

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Electronic and optical behaviour of lanthanum doped CaTiO3 perovskite von Rizwan, Muhammad, Usman, Zahid, Shakil, Muhammad, Gillani, S S A, Azeem, S, Jin, H B, Cao, C B, Mehmood, Rana Farhat, Nabi, Ghulam, Asghar, Muhammad Adnan

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Proton firehose instability: An interplay of thermal core and non-thermal halo protons von Sarfraz, M., Noureen, S., Abbas, G., Zeba, I., Jamil, M., Gillani, S. S. A.

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CFD Analysis of Aerodynamic Drag Effects on Vacuum Tube Trains von Gillani, S. A., Panikulam, V. P., Sadasivan, S., Yaoping, Z.

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Isotropic pressure induced structural, electronic, photocatalytic, elastic and mechanical properties of RbPbF3: GGA-PBE and HSE03 based computational estimation von Gulzar, Fakiha, Siddique, Sofia, Zeba, I, Rizwan, M, Gillani, S S A

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Excellent photocatalytic and antibacterial performance of silver and cobalt doped MnO nanoparticles von Ahmad, Suleman, Jabbar, Saqib, Gillani, S S A, Hameed, Aminah, Ahmad, R, Rani, Aniqa

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Effect of Stress on Electronic, Optical, Elastic, and Mechanical Properties of Potassium Tantalum Oxide (KTaO3): A DFT Study von Khan, M. Ijaz, Zaidi, S. M. Junaid, Sahar, M. Sana Ullah, Gillani, S. S. A., Qaisrani, Mumtaz A., Farooq, M. Umer

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Impact of dopant (Mg, Be) elements on structural and optoelectronic properties of RbCaF3: GGA-PBE based computational estimation von Khan, Mehreen, Awais, M., Ahmad, Riaz, Gillani, S. S. A.

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Determination of phase stability, half metallicity, mechanical and thermal behavior of Fe based quaternary Heusler alloys von Shakil, M., Arshad, Hafsa, Aziz, Saba, Gillani, S.S.A., Rizwan, M., Zafar, M.

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First principles computation of novel hydrogen-doped CsSrO3 with excellent optoelectronic properties as a potential photocatalyst for water splitting von Zafar, Sana, Zeba, I, Zaman, M, Shakil, M, Gillani, S S A

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Semiconductor-metal transition in TlPbF3 under isotropic pressure and its impact on optical, elastic and mechanical properties: a DFT computation with HSE06 von Ahmad, Bilal, Siddique, Sofia, Zeba, I, Zafar, Sana, Shakil, M, Gillani, S S A

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First-Principles Investigation of Structural, Electronic, and Optical Response of SnZrO3 with Al Inclusion for Optoelectronic Applications von Rizwan, M., Iqra, I., Gillani, S. S. A., Zeba, I., Shakil, M., Usman, Z.

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A systematic computational study to understand the effect of metals (Mg, Ca, Sr) doping and external isotropic static pressure on phase stability, electronic band structure and opt... von Gillani, S.S.A., Zeeshan, Talat, Maqsood, Asma, Shakil, M., Rizwan, Muhammad, Ahmad, Riaz, Waseem, Salma

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A detailed computational study to investigate the influence of metals (Bi, Sn, Tl) substitution on phase transition, electronic band structure and their implications on optical, el... von Nadeem, Javeria, Kiran, Zubia, Zeba, I., Gulzar, Fakiha, Awais, M, Gillani, S. S. A.

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Computational investigation to explore the effects of metals (Mg, Ca, Sr) doping on phase transition, electronic band structure and their repercussions on optical, elastic and mech... von Gillani, S S A, Awais, M, Atif, M, Zeba, I, Shakil, M, Ahmad, Riaz

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Static isotropic pressure induced semiconductor–metal transition and its impact on structural, electronic, elastic, mechanical and optical properties of SrCeO3 von Siddique, Sofia, Ahmad, Shamaz, Zeba, I., Gulzar, Fakiha, Shakil, M., Gillani, S. S. A.

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Development of an Improved Frequency Limited Model Order Reduction Technique and Error Bound for Discrete-Time Systems von Batool, S., Imran, M., Elahi, E., Maqbool, A., Gillani, S. A. A.

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Effect of anomalous behavior of Be-doping on structural stability, bandgap and optical properties in comparison with Mg-doped BaZrO3 perovskite: insights from DFT calculations von Zeba, I., Jabeen, R., Ahmad, Riaz, Shakil, M., Rafique, M., Rizwan, M., Bashir, N., Gillani, S. S. A.

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