CuO-decorated ZnO nanotube–based sensor for detecting CO gas: a first-principles study

Understanding the effect of copper oxide (CuO)–decorated zinc nanotube on carbon monoxide (CO) adsorption is crucial for designing a high-performance CO gas sensor. In this work, sensing properties oxide–decorated (CuO-ZnO) are studied theoretically by employing first-principles density functional theory first time. The stability, mechanism, states, and change in electrical conductivity studied. results calculating energy show strong chemical CuO-ZnO nanotubes. calculated as 7.5 times higher than that ZnO nanotube. Mulliken charge analysis reveal electron transfer occurs from molecules to Additionally, nanotubes significantly changes after at room temperature. According these studies, sensors can be used detection gas. excellent agreement with reported experimental results.