Siraj Ud Daula Shamim
15PUBLICATIONS
8CO-AUTHORS
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Publications (15)
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|Apr 02, 2026
Insights into the adsorption performance of temozolomide on T-based 2D nanosheets from DFT and COSMO calculations.Md Saydur Rahman Dostagir, Afiya Akter Piya, Mehedi Hasan Opi
|Jan 27, 2026
DFT exploration of the sensing performance of Janus transition metal dichalcogenides (ASSe; A = Sc, Ti, Zr, Nb, Pd) monolayers for HCN, H2S, and NH3 toxic gases.Sifat Reza Khoshnobish, Afiya Akter Piya, Tanu Arefin
|Jan 22, 2026
DFT and solvent-phase insights into nitrosourea adsorption on AlN, GaN and their in-plane heterostructure (AlN/GaN) nanosheets.Tabassum Yesmin Saba, Afiya Akter Piya, Tanvir Ahmed
|Jan 21, 2026
Unveiling the anodic potential of Janus MNS (M = Sc, Ti; N = Se, Te) monolayers for calcium-ion batteries: insights from DFT and AIMD studies.Sharah Sami Rifah, Bivas Kumar Dash, Afiya Akter Piya
|Jan 20, 2026
Unveiling the Potential of Zr2N, Hf2N, and ZrHfN as Anode Materials for Magnesium-Ion Batteries: A DFT Approach.Md Tanjir Ahammed Rimon, Obaidullah, Bivas Kumar Dash
|Jun 19, 2025
Probing the sensing potential of Nb- and Mo-based MXene nanosheets and their heterostructures for air pollutants: a DFT insight.Siraj Ud Daula Shamim, Taslima Akter, Aditi Ahmed Ananna
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