Research School of Chemistry , The Australian National University , Canberra , ACT 2601 , Australia.
ACS Appl Mater Interfaces. 2020 Jan 22;12(3):3755-3763. doi: 10.1021/acsami.9b19706. Epub 2020 Jan 9.
By using WCl as a precursor and absolute ethanol as a solvent, ultrafine WO nanowires (UFNWs) were synthesized by a one-pot solution-phase method and used as gas sensing materials. Their crystal structure, morphology, and specific surface area can be regulated by controlling precisely the content of the WCl precursor in the solution. It has been found that, when the content of the precursor is 4 mg/mL, the formed products are UFNWs with a diameter of about 0.8 nm, only one crystal plane [010] is exposed, and the specific surface area is 194.72 m/g. After the gas sensing test, we found that they have excellent selectivity to acetone. The response of 50 ppm acetone reaches 48.6, the response and recovery times are 11 and 13 s, respectively. In order to evaluate the interaction between WO surfaces and different volatile organic compound (VOC) molecules, we simulated and calculated the adsorption energy () among different WO surfaces and different VOCs by DFT. The calculated results are in agreement with the experimental results, further confirming the ultrahigh selectivity of WO UFNWs to acetone. The above results demonstrate that the high selectivity of WO UFNWs to acetone is due to the exposure of its single crystal plane [010]. This work has practical significance for better detection of acetone.
采用 WCl6 作为前驱体、无水乙醇作为溶剂,通过一步溶液法合成了超细 WO 纳米线(UFNWs),并将其用作气敏材料。通过精确控制溶液中 WCl6 前驱体的含量,可以调节其晶体结构、形貌和比表面积。研究发现,当前驱体的含量为 4mg/mL 时,产物为直径约 0.8nm 的 UFNWs,仅暴露一个晶面[010],比表面积为 194.72m2/g。经过气敏测试,发现它们对丙酮具有优异的选择性。在 50ppm 丙酮下的响应值达到 48.6,响应和恢复时间分别为 11s 和 13s。为了评估 WO 表面与不同挥发性有机化合物(VOC)分子之间的相互作用,我们通过 DFT 模拟和计算了不同 WO 表面与不同 VOC 之间的吸附能()。计算结果与实验结果一致,进一步证实了 WO UFNWs 对丙酮的超高选择性。上述结果表明,WO UFNWs 对丙酮具有高选择性是由于其暴露了单一的[010]晶面。这项工作对于更好地检测丙酮具有实际意义。