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.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
Doctor of Science, PhD
Award Date: 7 Feb 2023
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Collaborations and top research areas from the last five years
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Research output
- 10 Article
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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 AccessFile3 Downloads (Pure) -
Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites
Ahmed, S., Zulfiqar, W., Javed, F., Arshad, H., Abbas, G., Laref, A. & Alay-e-Abbas, S. M., 5 Feb 2022, In: Journal of alloys and Compounds. 892, 5, 162071.Research output: Contribution to journal › Article › peer-review
Open Access -
Improved thermodynamic stability and visible light absorption in Zr+X codoped (X = S, Se and Te) BaTiO3 photocatalysts: A first-principles study
Zulfiqar, W. & Alay-e-Abbas, S. M., Aug 2022, In: Materials Today Communications. 32, 103867.Research output: Contribution to journal › Article › peer-review
Open Access
Press/Media
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Study Results from Government College University Update Understanding of Photocatalytics (Stabilizing the Dopability of Chalcogens In Bazro3 Through Tizr Co-doping and Its Impact On the Opto-electronic and Photocatalytic Properties: a Meta-gga ...)
28/03/24
1 item of Media coverage
Press/Media: Expert Comment