| Title: | Discrimination of 1- and 2-Propanol by Using the Transient Current Change of a Semiconducting ZnFe(2) O(4) Chemiresistor |
| Author(s): | Mukherjee K; Ekuma CE; Zhao Y; Maikap A; Najmaei S; Zaghloul ME; |
| Address: | "Department of Electrical and Computer Engineering, George Washington University, 800 22nd Street, NW, Washington, DC 20052, USA. Centre for Advanced Materials Processing, CSIR-Central Mechanical Engineering Research Institute, Durgapur-, 713209, India. Department of Science School of Technology, Pandit Deendayal Petroleum University Raisan, Gandhinagar, Gujarat, 382077, India. U.S. Army Research Laboratory, Sensors and Electron Devices Directorate, 2800 Powder Mill Road, Adelphi, MD 20783, USA. Department of Physics, Lehigh University, 16 Memorial Dr East, PA 18015, USA" |
| ISSN/ISBN: | 2192-6506 (Electronic) 2192-6506 (Linking) |
| Abstract: | "A semiconducting metal oxide (SMO) chemiresistor (ZnFe(2) O(4) ) is used for discriminating two isomeric volatile organic compounds (VOCs), namely 1- and 2-propanol. The transient current of the SMO chemiresistor is correlated with the aerobic oxidation of organic vapors on its surface. The changes in transient current of the ZnFe(2) O(4) chemiresistor are measured at different temperatures (260-320 degrees C) for detecting equal concentrations (200 ppm) of the two structural isomers of propanol. The transient current of ZnFe(2) O(4) reflects a faster oxidation of 2-propanol than 1-propanol on the surface. First-principles calculations and kinetic studies on the interaction of 1- and 2-propanol over ZnFe(2) O(4) provide further insight in support of the experimental evidence. The calculations predict more spontaneous adsorption of 2-propanol on the (111) surface of ZnFe(2) O(4) than 1-propanol. Kinetic parameters for the oxidation of isomeric vapors are estimated by modelling the transient current of ZnFe(2) O(4) using the Langmuir-Hinshelwood reaction mechanism. The faster oxidation of 2-propanol and comparatively lower activation energy for the respective process over ZnFe(2) O(4) is justified in accordance to the chemical structures of vapors. The findings have strong implications in exploring a new technique for discriminating isomeric VOCs, which is significant for environmental monitoring and medical applications" |
| Keywords: | chemiresistors first-principles calculations isomer discrimination semiconducting metal oxides volatile organic compounds; |
| Notes: | "PubMed-not-MEDLINEMukherjee, Kalisadhan Ekuma, Chinedu E Zhao, Yangyang Maikap, Abhishek Najmaei, Sina Zaghloul, Mona E eng Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Germany 2020/01/16 Chempluschem. 2019 Apr; 84(4):387-391. doi: 10.1002/cplu.201900036" |
