Browsing by Author "Essaoudi, I"

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Computational prediction of two-dimensional o-Al2N2 under applied strain for boosting the photocatalytic hydrogen evolution reaction performance

Bouziani, I; Essaoudi, I; Ahuja, R; Ainane, A (2024-05-12)

Abstract: Photocatalytic water splitting for clean hydrogen fuel production provides a promising approach to solve the energy and environmental issues. Recently, two-dimensional (2D) photocatalysts have attracted growing ...
First-principles insights into the optical and electronic characteristics of barium intercalated AB-stacked bilayer graphene

Chafai, A; Bouziani, I; Bouhou, S; Essaoudi, I; Ahuja, R; Duque, C.A.; Ainane, A (2024-06-22)

Abstract The present study describes the electronic and optical characteristics of barium atoms (an alkaline earth metal) intercalated within AB-stacked bilayer graphene (AB-2LG). Using state-of-the-art first-principles ...
Photocatalytic and thermoelectric performance of asymmetrical two-dimensional Janus aluminum chalcogenides

Haman, Z; Kibbou, M; Khossossi, N; Bahti, S; Dey, P; Essaoudi, I; Ahuja, R; Ainane, A (2024-07-08)

Abstract Through a density functional theory-driven survey, a comprehensive investigation of two-dimensional (2D) Janus aluminum-based monochalcogenides (Al2XY with X/Y = S, Se, and Te) has been performed within this ...

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