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Ultrathin agaric-like ZnO with Pd dopant for aniline sensor and DFT investigation.
Journal of Hazardous Materials ( IF 12.2 ) Pub Date : 2020-01-10 , DOI: 10.1016/j.jhazmat.2020.122069 Yong-Hui Zhang 1 , Chao-Nan Wang 1 , Fei-Long Gong 1 , Peiyuan Wang 1 , Utsab Guharoy 2 , Christy Yang 3 , Hao-Li Zhang 4 , Shao-Ming Fang 1 , Jian Liu 5
Journal of Hazardous Materials ( IF 12.2 ) Pub Date : 2020-01-10 , DOI: 10.1016/j.jhazmat.2020.122069 Yong-Hui Zhang 1 , Chao-Nan Wang 1 , Fei-Long Gong 1 , Peiyuan Wang 1 , Utsab Guharoy 2 , Christy Yang 3 , Hao-Li Zhang 4 , Shao-Ming Fang 1 , Jian Liu 5
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Aniline detection is of great importance in many industries, but most of the aniline sensors suffers from tedious and time consuming process. Herein, we present an efficient aniline sensor based on Pd decorated ZnO nanomaterials. Ultrathin ZnO nanosheets were synthesized by a facile one-step hydrothermal method. The nanosheets were corrugated into a unique agaric morphology, endorsing the nanomaterials with high surface area that is ideal for gas sensing applications. The obtained ZnO nanosheets were then uniformly decorated with uniform Pd nanoparticles (Pd NPs) around 5 nm in diameter. Gas sensing experiment on the ZnO decorate with different amount of Pd nanoparticles were systematically evaluated. The sample decorated with 0.3 % Pd NPs (Pd-ZnO-0.3) exhibited the highest sensitivity to aniline, which is about two orders higher than that of the pure ZnO nanosheet. The gas sensor based on Pd-ZnO-0.3 has a detection limit to aniline down to 0.5 ppm, with very short response and recovery times of 29 s and 23 s, respectively to 100 ppm aniline. First-principles DFT study was employed to provide the sensing mechanism. The improved sensing performance could be attributed to the increasing adsorbed oxygen and tunable band alignment for Pd-ZnO materials. This work provides new insights to the design strategy of Pd-decorated ZnO nanomaterials for high performance gas sensors.
中文翻译：
具有Pd掺杂剂的超薄琼脂状ZnO，用于苯胺传感器和DFT研究。
苯胺检测在许多行业中都非常重要，但是大多数苯胺传感器都需要乏味且耗时的过程。在这里，我们提出了一种基于Pd装饰的ZnO纳米材料的高效苯胺传感器。通过一种简便的一步水热法合成了超薄的ZnO纳米片。纳米片被波纹化成独特的琼脂形态，从而认可具有高表面积的纳米材料，是气体传感应用的理想选择。然后将获得的ZnO纳米片用直径约5 nm的均匀Pd纳米颗粒（Pd NPs）均匀装饰。系统评价了用不同数量的Pd纳米粒子装饰ZnO的气敏实验。用0.3％Pd NP（Pd-ZnO-0.3）装饰的样品对苯胺的敏感性最高，这比纯ZnO纳米片高约两个数量级。基于Pd-ZnO-0.3的气体传感器对苯胺的检测极限低至0.5 ppm，对100 ppm苯胺的响应时间和恢复时间分别非常短，分别为29 s和23 s。第一原理DFT研究被用来提供传感机制。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。
更新日期：2020-01-11
中文翻译：
具有Pd掺杂剂的超薄琼脂状ZnO，用于苯胺传感器和DFT研究。
苯胺检测在许多行业中都非常重要，但是大多数苯胺传感器都需要乏味且耗时的过程。在这里，我们提出了一种基于Pd装饰的ZnO纳米材料的高效苯胺传感器。通过一种简便的一步水热法合成了超薄的ZnO纳米片。纳米片被波纹化成独特的琼脂形态，从而认可具有高表面积的纳米材料，是气体传感应用的理想选择。然后将获得的ZnO纳米片用直径约5 nm的均匀Pd纳米颗粒（Pd NPs）均匀装饰。系统评价了用不同数量的Pd纳米粒子装饰ZnO的气敏实验。用0.3％Pd NP（Pd-ZnO-0.3）装饰的样品对苯胺的敏感性最高，这比纯ZnO纳米片高约两个数量级。基于Pd-ZnO-0.3的气体传感器对苯胺的检测极限低至0.5 ppm，对100 ppm苯胺的响应时间和恢复时间分别非常短，分别为29 s和23 s。第一原理DFT研究被用来提供传感机制。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。感测性能的提高可归因于Pd-ZnO材料吸附氧的增加和可调整的能带排列。这项工作为高性能气体传感器的Pd装饰ZnO纳米材料的设计策略提供了新的见解。
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