| Title: | Development of Morphologically engineered Flower-like Hafnium-Doped ZnO with Experimental and DFT Validation for Low-Temperature and Ultrasensitive Detection of NO(X) Gas |
| Author(s): | Nundy S; Ramaraj SG; Muruganathan M; Ghosh A; Tahir AA; Mallick TK; Park JS; Lee HJ; |
| Address: | "School of Advanced Materials and Science Engineering, Sungkyunkwan University, Suwon 16419, Republic of Korea. Environment and Sustainability Institute, University of Exeter, Penryn TR10 9FE, United Kingdom. School of Materials Science, Japan Advanced Institute of Science and Technology, Nomi 923-1211, Japan. College of Engineering, Mathematics and Physical Sciences, Renewable Energy, University of Exeter, Penryn TR10 9FE, United Kingdom. Smart Sensor Research Center, Korea Electronics Technology Institute (KETI), Seongnam 13509, Republic of Korea. SKKU Advanced Institute of Nano Technology, Sungkyunkwan University, Suwon 16419, Republic of Korea" |
| ISSN/ISBN: | 0888-5885 (Print) 1520-5045 (Electronic) 0888-5885 (Linking) |
| Abstract: | "Substitutional doping and different nanostructures of ZnO have rendered it an effective sensor for the detection of volatile organic compounds in real-time atmosphere. However, the low selectivity of ZnO sensors limits their applications. Herein, hafnium (Hf)-doped ZnO (Hf-ZnO) nanostructures are developed by the hydrothermal method for high selectivity of hazardous NO(X) gas in the atmosphere, substantially portraying the role of doping concentration on the enhancement of structural, optical, and sensing behavior. ZnO microspheres with 5% Hf doping showed excellent sensing and detected 22 parts per billion (ppb) NO(X) gas in the atmosphere, within 24 s, which is much faster than ZnO (90 s), and rendered superior sensing ability (S = 67) at a low temperature (100 degrees C) compared to ZnO (S = 40). The sensor revealed exceptional stability under humid air (S = 55 at 70% RH), suggesting a potential of 5% Hf-ZnO as a new stable sensing material. Density functional theory (DFT) and other characterization analyses revealed that the high sensing activity of 5% Hf-ZnO is attributed to the accessibility of more adsorption sites arising due to charge distortion, increased oxygen vacancies concentration, Lewis acid base, porous morphology, small particle size (5 nm), and strong bond interaction amidst NO(2) molecule with ZnO-Hf-O(vacancy) sites, resulting from the substitution of the host cation (Zn(2+)) with doping cation (Hf(4+))" |
| Notes: | "PubMed-not-MEDLINENundy, Srijita Ramaraj, Sankar Ganesh Muruganathan, Manoharan Ghosh, Aritra Tahir, Asif Ali Mallick, Tapas Kumar Park, Joon-Shik Lee, Hoo-Jeong eng 2022/05/17 Ind Eng Chem Res. 2022 May 4; 61(17):5885-5897. doi: 10.1021/acs.iecr.2c00890. Epub 2022 Apr 22" |
