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The effect of double-doped (B, N) on graphene's N2O4 gas adsorption performance: an ab initio study

Team Members: Fatin Hasnat Shihab

Density functional theory study of the adsorption and dissociation of OF2 and O3 gases on the surface of pristine and Al, Ti and Cr doped graphene

Team Members: Abu Talha

To Examine the Adsorption Behavior and Dissociation of Hydrogen Selenide (H2Se) Gas on Pristine and Transition Metal (Fe, Mn) Doped Boron Nitride Nanosheets: A DFT Study

Team Members: Provati Rahman

To Design Boron Nitride Nanosheet for Sensing Industrials Toxic Gases (COCl2, CH3NH2, H2S): A First-Principles Study

Team Members: Anika Tasnim

To Explore the Sensing Behaviour of TiC2 Nanosheet for Environmentally Hazardous CO Gas Molecule: Insights from First Principles Calculation

Team Members: Md Ashiqur Rahman

Impact of N-doping on MoSe2 nanosheet for PH3, C2N2 and HN3 gas sensing: a DFT study

Team Members: Mim Khatun

Ab initio study of Ti-doped C3N nanosheet as COCl2, O3, and HCN gas sensor

Team Members: Rahima Khatun

A first-principles study of the adsorption behavior of BF3 and ClF3 on pristine and N-defected AlN nanosheets

Team Members: Ishrat Jahan Tonny

A DFT study on 2D boron carbon nitride nanostructures for O3 and F2 gas sensing

Team Members: Mahabub Hasan Rocky

Electronic phase transition from semiconducting to metallic in cubic halide NaGeBr3 perovskite under hydrostatic pressure

Team Members: Jinnatun Nesa

Enhanced optoelectronic and thermoelectric activities of lead-free halide perovskite NaGeCl3 under hydrostatic pressure

Team Members: Mst. Julekha Akter Badhon

Study on low hydrostatic pressure-dependent optoelectronic and thermoelectric properties of lead-free perovskite NaGeI3

Team Members: Mowmita Khatun