Afiya Akter Piya

Doubly doped graphene as gas sensing materials for oxygen-containing gas molecules: A first-principles investigation

Siraj Ud Daula Shamim, Debashis Roy, Shamiul Alam et al. · Applied Surface Science · 2022 · 83 citations

Oxygen-containing Gas Molecules, Engineering, Nanomaterials +9

Adsorption behavior of cisplatin anticancer drug on the pristine, Al- and Ga-doped BN nanosheets: A comparative DFT study

Afiya Akter Piya, Siraj Ud Daula Shamim, Md Nasir Uddin et al. · Computational and Theoretical Chemistry · 2021 · 53 citations

Materials Science, Chemical Engineering, Nanosheet +13

Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights

Shania Nusrat Ema, Md. Abdul Khaleque, Ananya Ghosh et al. · RSC Advances · 2021 · 51 citations · Full text

Understanding Na-ion adsorption in nitrogen doped graphene oxide anode for rechargeable sodium ion batteries

Siraj Ud Daula Shamim, Md. Kamal Hossain, Syed Mahedi Hasan et al. · Applied Surface Science · 2021 · 48 citations

Materials Science, Graphene Nanomeshes, Engineering +11

Unravelling the adsorption performance of BN, AlN, GaN and InN 2D nanosheets towards the ciclopirox, 5-fluorouracil and nitrosourea for anticancer drug delivery motive: A DFT-D with QTAIM, PCM and COSMO investigations

Tanvir Ahmed, Md. Aminur Rahman, Md. Rafiqul Islam et al. · Computational and Theoretical Chemistry · 2022 · 41 citations

Nanomedicine, Medicinal Chemistry, Chemical Engineering +11