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.

中文翻译：

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铂对ZnO纳米团簇对CO气体传感性能的影响

摘要 一份实验报告表明，Pt 修饰显着增加了 ZnO 纳米结构对一氧化碳 (CO) 气体的敏感性。我们进行了 DFT 计算以揭示这种现象的起源。Pt 原子催化空气中的 O2 离解，它可以与 CO 气体相互作用形成 CO2 气体。这会影响电阻并导致产生电信号。这些问题将根据轨道、态密度、电子、能量和电荷转移进行讨论。我们预测了 0.18 μs 的短恢复时间和 5 的传感器响应。