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Herein, based on density functional theory (DFT) calculations, the antimonene nanoribbons (SbNRs) are systematically investigated to gauge their potential for plausible NO2 sensors. The outcomes suggest that the adsorbed NO2 molecule forms a strong chemical bond with zigzag SbNR (ZSbNR) and armchair SbNR (ASbNR). Also, it is unveiled that each configuration of NO2 adsorption on SbNR is energetically...
The present work is a comprehensive analysis of the electronic and magnetic properties of pristine and Mn‐doped GaN nanowires (NWs) using first‐principles calculations. The investigations were performed by considering the effects of size, shape, and passivation on GaN NWs oriented in three different crystallographic growth directions, namely [0001], , and . Binding energy calculations...
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