Sensing behavior of BN nanosheet toward nitrous oxide: A DFT study

In order to develop a sensor for the detection of toxic N2O molecules, the interaction of pristine and Al-doped BN nanosheets with an N2O molecule was investigated using density functional theory calculations. It was found that unlike the pristine sheet, the Al-doped sheet can effectively interact with the N2O molecule so that its electronic properties and conductivity are dramatically changed. We believe that replacing a B atom of the BN sheet with an Al atom may be a good strategy for improving the sensitivity of these nanosheets toward N2O, which cannot be trapped and detected by the pristine sheet.

Exploring a novel sensor for detection of toxic N2O molecules, the interaction of pristine and Al-doped BN nanosheets with the N2O molecule was investigated.Figure optionsDownload as PowerPoint slide