Boron nitride doped with transition metals for carbon monoxide detection: a promising nanosensor for air cleaning
Fatemeh Mollaamin,
Majid Monajjemi
Abstract:Purpose
This study aims to investigate the potential of the decorated boron nitride nanocage (BNNc) with transition metals for capturing carbon monoxide (CO) as a toxic gas in the air.
Design/methodology/approach
BNNc was modeled in the presence of doping atoms of titanium (Ti), vanadium (V), chromium (Cr), cobalt (Co), copper (Cu) and zinc (Zn) which can increase the gas sensing ability of BNNc. In this research, the calculations have been accomplished by CAM–B3LYP–D3/EPR–3, LANL2DZ level of theory. The tra… Show more
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