UV-activated ZnO films on a flexible substrate for room temperature O2 and H2O sensing

Christopher B. Jacobs; Artem B. Maksov; Eric S. Muckley; Liam Collins; Masoud Mahjouri-Samani; Anton Ievlev; Christopher M. Rouleau; Ji Won Moon; David E. Graham; Bobby G. Sumpter; Ilia N. Ivanov

doi:10.1038/s41598-017-05265-5

UV-activated ZnO films on a flexible substrate for room temperature O₂ and H₂O sensing

Christopher B. Jacobs, Artem B. Maksov, Eric S. Muckley, Liam Collins, Masoud Mahjouri-Samani, Anton Ievlev, Christopher M. Rouleau, Ji Won Moon, David E. Graham, Bobby G. Sumpter, Ilia N. Ivanov

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65 Scopus citations

Abstract

We demonstrate that UV-light activation of polycrystalline ZnO films on flexible polyimide (Kapton) substrates can be used to detect and differentiate between environmental changes in oxygen and water vapor. The in-plane resistive and impedance properties of ZnO films, fabricated from bacteria-derived ZnS nanoparticles, exhibit unique resistive and capacitive responses to changes in O₂ and H₂O. We propose that the distinctive responses to O₂ and H₂O adsorption on ZnO could be utilized to statistically discriminate between the two analytes. Molecular dynamic simulations (MD) of O₂ and H₂O adsorption energy on ZnO surfaces were performed using the large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) with a reactive force-field (ReaxFF). These simulations suggest that the adsorption mechanisms differ for O₂ and H₂O adsorption on ZnO, and are governed by the surface termination and the extent of surface hydroxylation. Electrical response measurements, using DC resistance, AC impedance spectroscopy, and Kelvin Probe Force Microscopy (KPFM), demonstrate differences in response to O₂ and H₂O, confirming that different adsorption mechanisms are involved. Statistical and machine learning approaches were applied to demonstrate that by integrating the electrical and kinetic responses the flexible ZnO sensor can be used for detection and discrimination between O₂ and H₂O at low temperature.

Original language	English
Article number	6053
Journal	Scientific Reports
Volume	7
Issue number	1
DOIs	https://doi.org/10.1038/s41598-017-05265-5
State	Published - Dec 1 2017

Funding

This research was conducted at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy (DOE) Office of Science User Facility. J.W.M. and D.G. acknowledge support from DOE, Advanced Manufacturing Office, Low Temperature Material Synthesis Program (CPS 24762, CPS 24764). C.J. acknowledges partial support by the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory. ORNL is managed by UT-Battelle, LLC, for DOE under contract DE-AC05-00OR22725.

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title = "UV-activated ZnO films on a flexible substrate for room temperature O2 and H2O sensing",

abstract = "We demonstrate that UV-light activation of polycrystalline ZnO films on flexible polyimide (Kapton) substrates can be used to detect and differentiate between environmental changes in oxygen and water vapor. The in-plane resistive and impedance properties of ZnO films, fabricated from bacteria-derived ZnS nanoparticles, exhibit unique resistive and capacitive responses to changes in O2 and H2O. We propose that the distinctive responses to O2 and H2O adsorption on ZnO could be utilized to statistically discriminate between the two analytes. Molecular dynamic simulations (MD) of O2 and H2O adsorption energy on ZnO surfaces were performed using the large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) with a reactive force-field (ReaxFF). These simulations suggest that the adsorption mechanisms differ for O2 and H2O adsorption on ZnO, and are governed by the surface termination and the extent of surface hydroxylation. Electrical response measurements, using DC resistance, AC impedance spectroscopy, and Kelvin Probe Force Microscopy (KPFM), demonstrate differences in response to O2 and H2O, confirming that different adsorption mechanisms are involved. Statistical and machine learning approaches were applied to demonstrate that by integrating the electrical and kinetic responses the flexible ZnO sensor can be used for detection and discrimination between O2 and H2O at low temperature.",

author = "Jacobs, {Christopher B.} and Maksov, {Artem B.} and Muckley, {Eric S.} and Liam Collins and Masoud Mahjouri-Samani and Anton Ievlev and Rouleau, {Christopher M.} and Moon, {Ji Won} and Graham, {David E.} and Sumpter, {Bobby G.} and Ivanov, {Ilia N.}",

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AU - Jacobs, Christopher B.

AU - Maksov, Artem B.

AU - Muckley, Eric S.

AU - Collins, Liam

AU - Mahjouri-Samani, Masoud

AU - Ievlev, Anton

AU - Rouleau, Christopher M.

AU - Moon, Ji Won

AU - Graham, David E.

AU - Sumpter, Bobby G.

AU - Ivanov, Ilia N.

PY - 2017/12/1

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AB - We demonstrate that UV-light activation of polycrystalline ZnO films on flexible polyimide (Kapton) substrates can be used to detect and differentiate between environmental changes in oxygen and water vapor. The in-plane resistive and impedance properties of ZnO films, fabricated from bacteria-derived ZnS nanoparticles, exhibit unique resistive and capacitive responses to changes in O2 and H2O. We propose that the distinctive responses to O2 and H2O adsorption on ZnO could be utilized to statistically discriminate between the two analytes. Molecular dynamic simulations (MD) of O2 and H2O adsorption energy on ZnO surfaces were performed using the large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) with a reactive force-field (ReaxFF). These simulations suggest that the adsorption mechanisms differ for O2 and H2O adsorption on ZnO, and are governed by the surface termination and the extent of surface hydroxylation. Electrical response measurements, using DC resistance, AC impedance spectroscopy, and Kelvin Probe Force Microscopy (KPFM), demonstrate differences in response to O2 and H2O, confirming that different adsorption mechanisms are involved. Statistical and machine learning approaches were applied to demonstrate that by integrating the electrical and kinetic responses the flexible ZnO sensor can be used for detection and discrimination between O2 and H2O at low temperature.

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UV-activated ZnO films on a flexible substrate for room temperature O₂ and H₂O sensing

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