Siraj Ud Daula Shamim

17PUBLICATIONS
11CO-AUTHORS
Statistical mechanics in chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Theoretical quantum chemistrySensor technology (incl. chemical aspects)Nanoelectronics
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Publications (17)

|Oct 23, 2026
Janus XSSe (X = Sc, Ti, Zr, Nb, Pd) monolayers for toxic gas sensing: a comparative first-principles study of CH2O, COCl2, and O3 adsorption.

|Oct 20, 2026
Unveiling the energy storage potential of Janus YSSe, ZrSSe and NbSSe monolayers as anode materials for Mg-ion batteries: DFT and AIMD insights.

|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

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Frequent Collaborators

12 joint publications

Afiya Akter Piya

2 joint publications

Md Kamal Hossain

2 joint publications

Tanvir Ahmed

1 joint publications

Md Abdul Khaleque