Interaction of Amantadine with Doped Boron Nitride Conical Nanostructures: Impact of Doping on Adsorption Properties and Sensing Potential

Gholipour, Ozra; Hassanzadeh, Ali; Mohammad-Alizadeh, Shima; Razeghi, Mohammad Hossein

doi:10.22034/ijnc.2025.719634

Interaction of Amantadine with Doped Boron Nitride Conical Nanostructures: Impact of Doping on Adsorption Properties and Sensing Potential

Document Type : Research Paper

Authors

Ozra Gholipour ¹

Ali Hassanzadeh ²

Shima Mohammad-Alizadeh ³

Mohammad Hossein Razeghi ⁴

¹ Department of applied Chemistry, Chemistry faculty, Urmia university, Urmia, Iran.

² Department of chemistry, Tabriz branch, Islamic Azad university, Tabriz, Iran.

³ Department of analytical chemistry, chemistry faculty, Urmia university, Urmia, Iran.

⁴ Department of Chemistry, Azarbaijan Shahid Madani University, Tabriz, Iran.

https://doi.org/10.22034/ijnc.2025.719634

Abstract

This comprehensive study investigates the interaction between amantadine and boron nitride (BN) conical nanostructures using Density Functional Theory (DFT) at the B3LYP/6-31G(d) level. Both pure and doped BN cones, incorporating elements such as Al, Si, P, Ga, and N, were studied to assess their adsorption energy and electronic structure. The results reveal that doping significantly influences the adsorption energies and energy gaps of BN cones. Silicon- and aluminum-doped BN cones exhibit the highest adsorption energies and the most favorable electronic properties for amantadine detection. These findings suggest that doped BN cones are promising candidates for the development of advanced sensors for pharmaceutical compounds like amantadine.

Keywords

Amantadine

Boron Nitride

Conical Nanostructures

Sensor Development

Density Functional Theory (DFT)

Subjects

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