Get started
Author

Afiya Akter Piya

ORCID: 0000-0002-4722-0102
Observed ORCID: 0000-0002-4722-0102
OpenAlex ID: A5003206422
Doubly doped graphene as gas sensing materials for oxygen-containing gas molecules: A first-principles investigation
2022 · Siraj Ud Daula Shamim, Debashis Roy, et al. · Applied Surface Science · 99
Adsorption behavior of cisplatin anticancer drug on the pristine, Al- and Ga-doped BN nanosheets: A comparative DFT study
2021 · Afiya Akter Piya, Siraj Ud Daula Shamim, et al. · Computational and Theoretical Chemistry · 64
Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights
2021 · Shania Nusrat Ema, Md. Abdul Khaleque, et al. · RSC Advances · 60
PDF
Exploring the adsorption ability with sensitivity and reactivity of C 12 –B 6 N 6 , C 12 –Al 6 N 6 , and B 6 N 6 –Al 6 N 6 heteronanocages towards the cisplatin drug: a DFT, AIM, and COSMO analysis
2022 · Md. Golam Muktadir, Ariful Alam, et al. · RSC Advances · 52
PDF
Understanding Na-ion adsorption in nitrogen doped graphene oxide anode for rechargeable sodium ion batteries
2021 · Siraj Ud Daula Shamim, Md Kamal Hossain, et al. · Applied Surface Science · 52
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
2022 · Tanvir Ahmed, Md. Aminur Rahman, et al. · Computational and Theoretical Chemistry · 44
Assessing the sensing performance of Janus transition metal dichalcogenides (ScSSe, TiSSe and ZrSSe) for oxygen-containing toxic gas molecules such as CO, NO, NO2 and SO2
2024 · Sifat Reza Khoshnobish, Tanvir Ahmed, et al. · Applied Surface Science · 40
Assessment of the drug delivery potential of graphene, boron nitride and their in-plane doped structures for hydroxyurea anti-cancer drug via DFT study
2024 · Mehedi Hasan Opi, Tanvir Ahmed, et al. · Nanoscale Advances · 31
PDF
Recent advances in Zr and Hf-based MXenes and their hetero-structure as novel anode materials for Ca-ion batteries: theoretical insights from DFT approach
2024 · Tanvir Ahmed, Afiya Akter Piya, et al. · Nanoscale Advances · 27
Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations
2023 · Sharah Sami Rifah, Md. Sakib Zaman, et al. · Physical Chemistry Chemical Physics · 26
Investigation of the adsorption behavior of the anti-cancer drug hydroxyurea on the graphene, BN, AlN, and GaN nanosheets and their doped structures via DFT and COSMO calculations
2023 · Afiya Akter Piya, A. K. M. Akther Hossain · RSC Advances · 24
PDF
Thickness dependent numerical investigations of lead free perovskite/CIGS bilayer solar cell using SCAPS-1D
2024 · Muhitul Islam, Tanvir Ahmed, et al. · Chemistry of Inorganic Materials · 23
Tuning the electrochemical behavior of graphene oxide and reduced graphene oxide via doping hexagonal BN for high capacity negative electrodes for Li and Na ion batteries
2023 · Siraj Ud Daula Shamim, Afiya Akter Piya, et al. · Physical Chemistry Chemical Physics · 22
Exploring the adsorption performance of doped graphene quantum dots as anticancer drug carriers for cisplatin by DFT, PCM, and COSMO approaches
2023 · K. N. Munny, Tanvir Ahmed, et al. · Structural Chemistry · 20
Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches
2022 · Afiya Akter Piya, Tanvir Ahmed, et al. · Computational and Theoretical Chemistry · 20
PDF
Understanding the adsorption performance of T-G, T-BN, T-AlN, and T-GaN nanosheets toward the thioguanine anticancer drug via DFT calculations
2024 · Md Najmus Sakib, Tanvir Ahmed, et al. · AIP Advances · 16
PDF
Probing the sensing potential of Nb- and Mo-based MXene nanosheets and their heterostructures for air pollutants: a DFT insight
2025 · Siraj Ud Daula Shamim, Taslima Akter, et al. · RSC Advances · 15
PDF
DFT insights into the gas sensing performance of M 2 X (M = Zr, Hf; X = C, N) MXenes and their Janus derivatives for toxic gases
2025 · Muhitul Islam, Siraj Ud Daula Shamim, et al. · Materials Advances · 13
PDF
Understanding the adsorption performance of hetero-nanocages (C 12 –B 6 N 6 , C 12 –Al 6 N 6 , and B 6 N 6 –Al 6 N 6 ) towards hydroxyurea anticancer drug: a comprehensive study using DFT
2024 · Mithila Roy Swarna, Mehedi Hasan Opi, et al. · Nanoscale Advances · 13
PDF
Exploring the Sensing Performance of T-Graphene, T-Boron Nitride, and Their Lateral Heterostructure for Toxic CO, NO, NO2, and SO2 Gas Molecules
2025 · Siraj Ud Daula Shamim, Abubakkar Siddique, et al. · Langmuir · 12
Exploring the sensing properties of Janus ScSTe, TiSTe, and ZrSTe nanosheets for nitrogen based toxic gases via DFT
2025 · Md. Jahirul Islam Shawon, Bivas Kumar Dash, et al. · Scientific Reports · 8
Unveiling the anodic potential of Janus MNS (M = Sc, Ti; N = Se, Te) monolayers for calcium-ion batteries: insights from DFT and AIMD studies
2026 · Sharah Sami Rifah, Bivas Kumar Dash, et al. · Nanoscale Advances · 7
PDF
DFT exploration of the sensing performance of Janus transition metal dichalcogenides (ASSe; A = Sc, Ti, Zr, Nb, Pd) monolayers for HCN, H 2 S, and NH 3 toxic gases
2026 · Sifat Reza Khoshnobish, Afiya Akter Piya, et al. · Nanoscale · 7
Exploring the performance of T-graphene for the anode of Mg-ion and Ca-ion batteries: A first-principles study
2023 · Obaidullah, Umme Habiba, et al. · AIP Advances · 7
PDF
Comparative DFT investigation of 1T and 2H phase Janus TaSSe monolayers as potential sensors for toxic gas molecules
2026 · Afiya Akter Piya, Anirbun Paul Arko, et al. · Scientific Reports · 5
PDF
Works count: 46
Citation count: 726
H-index: 16
I10-index: 20
Year
Topic
Type