A. Aathif Basha

Applications of the Vienna Ab initio simulation package, DFT and molecular interaction studies for investigating the electrochemical stability and solvation performance of non-aqueous NaMF6 electrolytes for sodium-ion batteries

Attar Kubaib, Predhanekar Mohamed Imran, A. Aathif Basha · Computational and Theoretical Chemistry · 2022 · 42 citations

Materials Science, Solid-state Ionic, Chemical Engineering +12

Design, Transport/Molecular Scale Electronics, Electric Properties, and a Conventional Quantum Study of a New Potential Molecular Switch for Nanoelectronic Devices

Hamid Hadi, Bouzid Gassoumi, Samia Nasr et al. · ACS Omega · 2023 · 25 citations · Full text

Exploring high-performance functionalized corannulene dimers: A DFT-based investigation for novel photovoltaic applications

Hamid Hadi, Bilel Chouchen, Samia Nasr et al. · Synthetic Metals · 2024 · 25 citations

Organic Charge-transfer Compound, Engineering, Organic Electronics +11

Influence of nitrogen exchange in the core-shell structure of naphthalenediimide molecules on the advancement of quantum electronic properties

Hamid Hadi, ahmed mahmoud, Imen Cherif et al. · Synthetic Metals · 2024 · 25 citations

Quantum Electronic Properties, Engineering, Physics +9

Dielectric relaxation, dipole moment, electronic characterization and non-covalent interaction behavior of valeramide and halo-phenol in non-polar liquid: A density functional theory-based approach

A. Aathif Basha, F. Liakath Ali Khan, S. Muthu et al. · Journal of Molecular Liquids · 2022 · 23 citations

Materials Science, Engineering, Physicochemical Analysis +9