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Abstract An experimental report showed that Pt-decoration significantly increased the ZnO nanostructure sensitivity toward carbon monoxide (CO) gas. We performed DFT calculations to reveal the origin of this phenomenon. The… Click to show full abstract
Abstract An experimental report showed that Pt-decoration significantly increased the ZnO nanostructure sensitivity toward carbon monoxide (CO) gas. We performed DFT calculations to reveal the origin of this phenomenon. The Pt atom catalyzes the air O2 dissociation, which can interact with CO gas to form CO2 gas. This affects electronic resistance and leads to production of an electrical signal. These issues are discussed in terms of orbital, density of states, electronic, energetic, and charge transfers. We predicted a short recovery time of 0.18 μs and a sensor response of 5.
Journal Title: Solid State Communications
Year Published: 2020
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