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Updated: May 14, 2026

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanide
Javad Beheshtian1, Ali Ahmadi Peyghan, Zargham Bagheri
1Department of Chemistry, Shahid Rajaee Teacher Training University, PO Box: 16875-163, Tehran, Iran.
Abstract:
In order to explore a sensor for detection of toxic hydrogen cyanide (HCN) molecules, interaction of pristine and defected Al-rich aluminum nitride nanotubes (AlNNT) with a HCN molecule has been investigated using density functional theory calculations in terms of energetic, geometric, and electronic properties. It has been found that unlike the pristine AlNNT, the Al-rich AlNNT can effectively interact with the HCN molecule so that its conductivity changes upon the exposure to this molecule. The adsorption energies of HCN on the pristine and defected AlNNTs have been calculated to be in the range of -0.16 to -0.62 eV and -1.75 to -2.21 eV, respectively. We believe that creating Al-rich defects may be a good strategy for improving the sensitivity of these tubes toward HCN molecules, which cannot be trapped and detected by the pristine AlNNT.
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