Siraj Ud Daula Shamim

First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages

Md. Rakib Hossain, Md. Mehade Hasan, Siraj Ud Daula Shamim et al. · Computational and Theoretical Chemistry · 2021 · 118 citations

Nanomedicine, Medicinal Chemistry, Chemical Engineering +14

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

A novel silicon-doped 2D Ti2C MXene monolayer as high capacity stable anode material for lithium ion batteries: Insight from density functional theory study

Sudipto Das, Siraj Ud Daula Shamim, Md. Kamal Hossain et al. · Applied Surface Science · 2022 · 72 citations

Materials Science, Engineering, Metal Anode +12

In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors

Jannatul Mawwa, Siraj Ud Daula Shamim, Shamima Khanom et al. · RSC Advances · 2021 · 65 citations · Full text

A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6–8)

Siraj Ud Daula Shamim, Tashrifa Hussain, Md. Rakib Hossian et al. · Journal of Molecular Modeling · 2020 · 62 citations

Spectroscopic Properties, Boron Nitride, Engineering +11