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Open AccessArticle

Genetic Algorithm Design of MOF-based Gas Sensor Arrays for CO2-in-Air Sensing

1
Department of Chemical and Petroleum Engineering, University of Pittsburgh, 3700 O’Hara St, Pittsburgh, PA 15261, USA
2
Department of Electrical and Computer Engineering, University of Pittsburgh, 3700 O’Hara St, Pittsburgh, PA 15261, USA
*
Author to whom correspondence should be addressed.
Sensors 2020, 20(3), 924; https://doi.org/10.3390/s20030924
Received: 19 December 2019 / Revised: 27 January 2020 / Accepted: 29 January 2020 / Published: 10 February 2020
(This article belongs to the Section Chemical Sensors)
Gas sensor arrays, also known as electronic noses, leverage a diverse set of materials to identify the components of complex gas mixtures. Metal-organic frameworks (MOFs) have emerged as promising materials for electronic noses due to their high-surface areas and chemical as well as structural tunability. Using our recently reported genetic algorithm design approach, we examined a set of 50 MOFs and searched through over 1.125 × 1015 unique array combinations to identify optimal arrays for the detection of CO2 in air. We found that despite individual MOFs having lower selectivity for O2 or N2 relative to CO2, intelligently selecting the right combinations of MOFs enables accurate prediction of the concentrations of all components in the mixture (i.e., CO2, O2, N2). We also analyzed the physical properties of the elements in the arrays to develop an intuition for improving array design. Notably, we found that an array whose MOFs have diversity in their volumetric surface areas has improved sensing. Consistent with this observation, we found that the best arrays consistently had greater structural diversity (e.g., pore sizes, void fractions, and surface areas) than the worst arrays. View Full-Text
Keywords: metal-organic framework; computational design; carbon dioxide; gas sensing metal-organic framework; computational design; carbon dioxide; gas sensing
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MDPI and ACS Style

Day, B.A.; Wilmer, C.E. Genetic Algorithm Design of MOF-based Gas Sensor Arrays for CO2-in-Air Sensing. Sensors 2020, 20, 924.

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