Research output per year
Research output per year
Personal profile
Introduction
Adept in performing atomistic simulations, specializing in the realm of light-matter interactions. Proficiently model and analyze the dynamic interplay between light and matter, spanning diverse applications. Skillfully leverage computational techniques to unravel the complexities of these interactions, contributing to advancements in various scientific and technological domains i.e., hydrogen production, solar cell, photocatalytic water purification and electrochromic devices.
Education/Academic qualification
Doctor of Science, PhD
Award Date: 7 Feb 2023
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Research output
- 12 Article
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Efficient first-principles evaluation of thermodynamic stability, physical properties and photocatalytic performance of alkali-metal tantalates
Javed, F., Zulfiqar, W., Ahmed, S., Abbas, G. & Alay-e-Abbas, S. M., Apr 2025, In: Materials Research Bulletin. 184, 113252.Research output: Contribution to journal › Article › peer-review
Open AccessFile33 Downloads (Pure) -
Strain modulated physical properties of double perovskite Rb2InGaCl6 for the possible energy applications
Anwar, G., Iqbal, Z., Ullah, H., Zulfiqar, W., Gulzar, M. M. & Al-Ammar, E. A., 15 Mar 2025, In: Physica B: Condensed Matter. 701, 416975.Research output: Contribution to journal › Article › peer-review
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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
Zulfiqar, W., Javed, F., Abbas, G., Larsson, J. A. & Alay-e-Abbas, S. M., 8 Mar 2024, In: International Journal of Hydrogen Energy. 58, p. 409-415 7 p.Research output: Contribution to journal › Article › peer-review
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Elucidating the Surface Properties of Sr3PbO Inverse-Perovskite Topological Insulator: A First-Principles Study
Bilal, M., Alay-e-Abbas, S. M., Abbas, G., Javed, F., Zulfiqar, W. & Amin, N., 23 Nov 2023, In: Physica Status Solidi. B : Basic Research. 261, 2, 2300373.Research output: Contribution to journal › Article › peer-review
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Structure inversion asymmetry enhanced electronic structure and electrical transport in 2D A3SnO (A = Ca, Sr, and Ba) anti-perovskite monolayers
Alay-e-Abbas, S. M., Abbas, G., Zulfiqar, W., Sajjad, M., Singh, N. & Larsson, J. A., Jan 2023, In: Nano Research. 16, 1, p. 1779-1791 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile54 Downloads (Pure)