Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight
Hossain, Md. Rakib, Hasan, Md. Mehade, Ashrafi, Noor-E-, Rahman, Hamidur, Rahman, Mohammad Sadiqur, Ahmed, Farid, Ferdous, Tahmina, Hossain, Md. Abul
Published in Physica. E, Low-dimensional systems & nanostructures (01.02.2021)
Published in Physica. E, Low-dimensional systems & nanostructures (01.02.2021)
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Journal Article
Selection of a compatible electron transport layer and hole transport layer for the mixed perovskite FA0.85Cs0.15Pb (I0.85Br0.15)3, towards achieving novel structure and high-efficiency perovskite solar cells: a detailed numerical study by SCAPS-1D
Md Bulu Rahman, Noor-E-Ashrafi, Md Helal Miah, Mayeen Uddin Khandaker, Islam, Mohammad Aminul
Published in RSC advances (07.06.2023)
Published in RSC advances (07.06.2023)
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Journal Article
First-principles study of the structural, mechanical, electronic, optical, and elastic properties of non-toxic XGeBr3 (X=K, Rb, and Cs) perovskite for optoelectronic and radiation sensing applications
Miah, Md. Helal, Ashrafi, Noor-E-, Rahman, Md. Bulu, Nur-E-Alam, Mohammad, Islam, Mohammad Aminul, Naseer, K.A., Hanfi, Mohamed Y., Osman, Hamid, Khandaker, Mayeen Uddin
Published in Materials chemistry and physics (01.06.2024)
Published in Materials chemistry and physics (01.06.2024)
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Pyrene doped silica nanoparticles: Synthesis, oxygen sensing, and singlet oxygen generation
Ashrafi, Noor E., Kojima, Nao, Uchiyama, Kouta, Kanda, Yasuharu, Nakano, Hideyuki, Iimori, Toshifumi
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.09.2024)
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.09.2024)
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Journal Article
DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene
Hossain, Md. Rakib, Hasan, Md. Mehade, Nishat, Maliha, Noor-E-Ashrafi, Ahmed, Farid, Ferdous, Tahmina, Hossain, Md. Abul
Published in Journal of molecular liquids (01.02.2021)
Published in Journal of molecular liquids (01.02.2021)
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Journal Article
Selection of a compatible electron transport layer and hole transport layer for the mixed perovskite FA 0.85 Cs 0.15 Pb (I 0.85 Br 0.15 ) 3 , towards achieving novel structure and high-efficiency perovskite solar cells: a detailed numerical study by SCAPS-1D
Rahman, Md Bulu, Noor-E-Ashrafi, Miah, Md Helal, Khandaker, Mayeen Uddin, Islam, Mohammad Aminul
Published in RSC advances (05.06.2023)
Published in RSC advances (05.06.2023)
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Journal Article
Selection of a compatible electron transport layer and hole transport layer for the mixed perovskite FACsPb (IBr), towards achieving novel structure and high-efficiency perovskite solar cells: a detailed numerical study by SCAPS-1D
Rahman, Md. Bulu, Noor-E-Ashrafi, Miah, Md. Helal, Khandaker, Mayeen Uddin, Islam, Mohammad Aminul
Published in RSC advances (07.06.2023)
Published in RSC advances (07.06.2023)
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Journal Article