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Single- and multi-layer arsenene as an anode material for Li, Na, and K-ion battery applications
(Elsevier B.V., 2021)
Revealing ideal electrode materials with required functionalities is a crucial step to develop high-performance alkali-ion batteries. In this study, we investigate the potential of single- (SL) and multi-layer (ML) arsenene ...
Sensing capability and diameter-dependent electronic structure of boron nitride nanotubes
(Elsevier, 2021)
The sensing and diameter-dependent properties of armchair Boron Nitride nanotubes (BNNTs) were scrutinized based on density functional theory (DFT) to find out their electronic structure and carbon monoxide (CO) sensing ...
Building Machine Learning systems for multi-atoms structures: CH3NH3PbI3 perovskite nanoparticles
(Elsevier, 2021)
In this study, we built a variety of Machine Learning (ML) systems over 23 different sizes of CH3NH3PbI3 perovskite nanoparticles (NPs) to predict the atoms in the NPs from their geometric locations. Our findings show that ...
