Waqas Zulfiqar
Postdoctoral Researcher in theoretical condensed matter physics
Research Expertise
About
Publications
Pb2+ ions mobility perturbation by iron particles during electrokinetic remediation of contaminated soil
Chemosphere / Feb 01, 2017
Zulfiqar, W., Iqbal, M. A., & Butt, M. K. (2017). Pb2+ ions mobility perturbation by iron particles during electrokinetic remediation of contaminated soil. Chemosphere, 169, 257–261. https://doi.org/10.1016/j.chemosphere.2016.11.083
Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT
Journal of Materials Chemistry C / Jan 01, 2021
Zulfiqar, W., Alay-e-Abbas, S. M., Abbas, G., Laref, A., Larsson, J. A., & Shaukat, A. (2021). Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT. Journal of Materials Chemistry C, 9(14), 4862–4876. https://doi.org/10.1039/d0tc05964a
Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory
Journal of Physics and Chemistry of Solids / Dec 01, 2020
Akhtar, S., Alay-e-Abbas, S. M., Batool, J., Zulfiqar, W., Laref, A., Abbas, G., & Amin, N. (2020). Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory. Journal of Physics and Chemistry of Solids, 147, 109662. https://doi.org/10.1016/j.jpcs.2020.109662
Structure inversion asymmetry enhanced electronic structure and electrical transport in 2D A3SnO (A = Ca, Sr, and Ba) anti-perovskite monolayers
Nano Research / Jul 12, 2022
Alay-e-Abbas, S. M., Abbas, G., Zulfiqar, W., Sajjad, M., Singh, N., & Larsson, J. A. (2022). Structure inversion asymmetry enhanced electronic structure and electrical transport in 2D A3SnO (A = Ca, Sr, and Ba) anti-perovskite monolayers. Nano Research, 16(1), 1779–1791. https://doi.org/10.1007/s12274-022-4637-3
Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites
Journal of Alloys and Compounds / Feb 01, 2022
Ahmed, S., Zulfiqar, W., Javed, F., Arshad, H., Abbas, G., Laref, A., & Alay-e-Abbas, S. M. (2022). Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites. Journal of Alloys and Compounds, 892, 162071. https://doi.org/10.1016/j.jallcom.2021.162071
Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba3SnO
Physical Chemistry Chemical Physics / Jan 01, 2021
Batool, J., Alay-e-Abbas, S. M., Johansson, G., Zulfiqar, W., Danish, M. A., Bilal, M., Larsson, J. A., & Amin, N. (2021). Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba3SnO. Physical Chemistry Chemical Physics, 23(43), 24878–24891. https://doi.org/10.1039/d1cp03989j
Improved thermodynamic stability and visible light absorption in Zr+X codoped (X = S, Se and Te) BaTiO3 photocatalysts: A first-principles study
Materials Today Communications / Aug 01, 2022
Zulfiqar, W., & Alay-e-Abbas, S. M. (2022). Improved thermodynamic stability and visible light absorption in Zr+X codoped (X = S, Se and Te) BaTiO3 photocatalysts: A first-principles study. Materials Today Communications, 32, 103867. https://doi.org/10.1016/j.mtcomm.2022.103867
Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study
International Journal of Hydrogen Energy / Mar 01, 2024
Zulfiqar, W., Javed, F., Abbas, G., Larsson, J. A., & Alay-e-Abbas, S. M. (2024). Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study. International Journal of Hydrogen Energy, 58, 409–415. https://doi.org/10.1016/j.ijhydene.2024.01.202
Elucidating the Surface Properties of Sr3PbO Inverse‐Perovskite Topological Insulator: A First‐Principles Study
physica status solidi (b) / Dec 12, 2023
Bilal, M., Alay-e-Abbas, S. M., Abbas, G., Javed, F., Zulfiqar, W., & Amin, N. (2023). Elucidating the Surface Properties of Sr3PbO Inverse‐Perovskite Topological Insulator: A First‐Principles Study. Physica Status Solidi (b). Portico. https://doi.org/10.1002/pssb.202300373
Electroosmotic Flow in Porous Media
SpringerReference
Electroosmotic Flow in Porous Media. (n.d.). In SpringerReference. Springer-Verlag. https://doi.org/10.1007/springerreference_66684
Cation and Anion Electro-Migration during ElectroKinetic Treatment for Nickel Chloride Contaminated Soil
International Journal of Environmental Sciences & Natural Resources / Jun 16, 2017
Zulfiqar, W. (2017). Cation and Anion Electro-Migration during ElectroKinetic Treatment for Nickel Chloride Contaminated Soil. International Journal of Environmental Sciences & Natural Resources, 2(5). https://doi.org/10.19080/ijesnr.2017.02.555597
Education
Government College University, Faisalabad
Ph.D, Theoretical Condensed Matter Physics / February, 2023
Experience
University of Namur, Belgium
Postdoctoral Researcher / February, 2023 — Present
Computational materials modeling of 3D, 2D and 1D materials
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