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In inclusion, we demonstrate that the encapsulation of H2O, CO2 and SO2 molecules has different effects regarding the BAsNTs with different cross section forms. Specifically, when placing H2O into the circular BAsNT, the negative differential resistance (NDR) phenomenon and a metal-semiconductor transition are located. This book characteristic makes BAsNTs potential candidates for application in gasoline detectors. The development may possibly provide brand new opportunities fo