Two-dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

Opoku Francis; Govender Penny P.

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Two-dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

机译：Two-dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

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Using density functional theory, we have systematically investigate the room temperature gas-sensing performance of two-dimensional delafossite cobalt oxyhydroxide (CoOOH) sheets as H2S, HCN and HF detection. Our findings show that CoOOH is sensitive to H2S, 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 H2S, HCN and HF gases detection.

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《Electroanalysis》 |2020年第12期|2764-2774|共11页
作者
Opoku Francis; Govender Penny P.;
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作者单位

Univ Johannesburg, Dept Chem Sci, POB 17011,Doornfontein Campus, ZA-2028 Johannesburg, South Africa;

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正文语种英语
中图分类电化学、电解、磁化学;
关键词
delafossite cobalt oxyhydroxide; gas sensor; computational investigation; electrical conductivity; physisorption;

Two-dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

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