A. Aligayev

works on

density functional theory 1 g-c3n4 1 molecular dynamics 1 optical properties 1 water splitting 1

From the 1 of 10 linked papers with an AI index.

most citedDiscovery and recovery of crystalline materials with property-conditioned transformers

2 citations · 2 across the 2 of their papers we have counts for

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physics.comp-ph2025

CH $_{4}$ and CO $_{2}$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties

A. Aligayev, F. J. Dominguez-Gutierrez, M. Chourashiya +2

In this study, we employ a computational chemistry-based modeling approach to investigate the adsorption mechanisms of CH $_{4}$ and CO $_{2}$ on monolayer GPNL, with a specific focus on…

CH4​ and CO2​ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties

CH $_{4}$ and CO $_{2}$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties