Two‐dimensional CoOOH as a Highly Sensitive and Selective H<sub>2</sub>S, HCN and HF Gas Sensor: A Computational Investigation
Francis Opoku, Penny P. Govender
Abstract
Abstract Using density functional theory, we have systematically investigate the room temperature gas‐sensing performance of two‐dimensional delafossite cobalt oxyhydroxide (CoOOH) sheets as H 2 S, HCN and HF detection. Our findings show that CoOOH is sensitive to H 2 S, HCN and HF gas by a physisorption interaction. The CoOOH sheets exhibit significant changes after the gas molecules adsorption, particularly its electrical conductivity. The suitable adsorption energy, which guarantees short recovery time, remarkable high sensitivity and selectivity, appreciable work function change and sharply enhanced electrical conductivity make CoOOH sheets as an effective nanosensor for toxic H 2 S, HCN and HF gases detection.