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ACS Appl Mater Interfaces

Title:		Pd-Functionalized ZnO:Eu Columnar Films for Room-Temperature Hydrogen Gas Sensing: A Combined Experimental and Computational Approach
Author(s):		Lupan C; Khaledialidusti R; Mishra AK; Postica V; Terasa MI; Magariu N; Pauporte T; Viana B; Drewes J; Vahl A; Faupel F; Adelung R;
Address:		"Center for Nanotechnology and Nanosensors, Department of Microelectronics and Biomedical Engineering, Technical University of Moldova, 168, Stefan cel Mare Av., MD-2004 Chisinau, Republic of Moldova. Department of Mechanical and Industrial Engineering, Norwegian University of Science and Technology (NTNU), 7491 Trondheim, Norway. Department of Physics, School of Engineering, University of Petroleum & Energy Studies, Bidholi via Premnagar, Dehradun 248007, India. Functional Nanomaterials, Faculty of Engineering, Institute for Materials Science, Kiel University, Kaiserstr. 2, D-24143 Kiel, Germany. PSL Universite, Chimie ParisTech, CNRS, Institut de Recherche de Chimie Paris (IRCP), 11 rue P. et M. Curie, F, 75005 Paris, France. Chair for Multicomponent Materials, Faculty of Engineering, Institute for Materials Science, Kiel University, Kaiserstr. 2, D-24143 Kiel, Germany"
Journal Title:		ACS Appl Mater Interfaces
Year:		2020
Volume:		20200520
Issue:		22
Page Number:		24951 - 24964
DOI:		10.1021/acsami.0c02103
ISSN/ISBN:		1944-8252 (Electronic) 1944-8244 (Linking)
Abstract:		"Reducing the operating temperature to room temperature is a serious obstacle on long-life sensitivity with long-term stability performances of gas sensors based on semiconducting oxides, and this should be overcome by new nanotechnological approaches. In this work, we report the structural, morphological, chemical, optical, and gas detection characteristics of Eu-doped ZnO (ZnO:Eu) columnar films as a function of Eu content. The scanning electron microscopy (SEM) investigations showed that columnar films, grown via synthesis from a chemical solutions (SCS) approach, are composed of densely packed columnar type grains. The sample sets with contents of approximately 0.05, 0.1, 0.15, and 0.2 at% Eu in ZnO:Eu columnar films were studied. Surface functionalization was achieved using PdCl(2) aqueous solution with additional thermal annealing in air at 650 degrees C. The temperature-dependent gas-detection characteristics of Pd-functionalized ZnO:Eu columnar films were measured in detail, showing a good selectivity toward H(2) gas at operating OPT temperatures of 200-300 degrees C among several test gases and volatile organic compound vapors, such as methane, ammonia, acetone, ethanol, n-butanol, and 2-propanol. At an operating temperature OPT of 250 degrees C, a high gas response I(gas)/I(air) of approximately 115 for 100 ppm H(2) was obtained. Experimental results indicate that Eu doping with an optimal content of about 0.05-0.1 at% along with Pd functionalization of ZnO columns leads to a reduction of the operating temperature of the H(2) gas sensor. DFT-based computations provide mechanistic insights into the gas-sensing mechanism by investigating interactions between the Pd-functionalized ZnO:Eu surface and H(2) gas molecules supporting the experimentally observed results. The proposed columnar materials and gas sensor structures would provide a special advantage in the fields of fundamental research, applied physics studies, and ecological and industrial applications"
Keywords:		Dft Eu-doped ZnO Pd chemical deposition functionalization gas sensor hydrogen;
Notes:		"PubMed-not-MEDLINELupan, Cristian Khaledialidusti, Rasoul Mishra, Abhishek Kumar Postica, Vasile Terasa, Maik-Ivo Magariu, Nicolae Pauporte, Thierry Viana, Bruno Drewes, Jonas Vahl, Alexander Faupel, Franz Adelung, Rainer eng 2020/05/06 ACS Appl Mater Interfaces. 2020 Jun 3; 12(22):24951-24964. doi: 10.1021/acsami.0c02103. Epub 2020 May 20"