Computational Methods for Sensor Material Selection (Integrated Analytical Systems)


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Bibliographic Information

The optical, electrical, and molecular properties of these continue to improve through synthesis of their composites and blends, ensuring improved gas sensing devices [ 96 — 98 ]. Nanostructured conducting polymers such as polyaniline PANI [ 99 , ], polypyrrole PPy [ ], polythiophene [ ] etc. For example, nanostructures of PANI synthesized chemically at different dopant ratio 0. Recent studies have highlighted the functional properties of various conducting polymers for device fabrication [ ].

However, due to the affinity of these materials towards similar moieties and moisture present in the environment, they sometimes are not selective or stable enough for gas sensing [ ]. Many of the devices based on these nanostructured materials have shown poor sensitivity and slow response time because of the functional properties which are not yet fully understood [ ]. Improved understanding of functional properties will provides the opportunities to synthesize new nanostructured conducting polymers that will address these issues [ 95 , ].

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A combinatorial synthesis of conducting polymers which may be coupled with functional high- throughput multifunctional screening of chemosensitive properties of conducting polymers has been described by Lang et al. Figure 8. The developed combinatorial library exhibited times increase of the throughput, 4—5 times decrease of toxic waste and —10, times decrease of possible personal exposure.

This automated developed model can be used as arrays of chemical gas sensor which provide information of sensitivity, response rate, recovery rate, reversibility, reproducibility, and constant or linearity [ ]. A complete system for combinatorial electro-polymerization and high throughput characterization to detect gases [ ]. The ability of inorganic semiconductors to detect atmospheric pollutants has been extensively investigated [ — ].

At nanoscale, metal oxides due to changing oxygen stoichiometry possess properties that are significantly different from their coarse-grained polycrystalline counterparts, which lead to improved sensing characteristics [ ]. A high degree of crystalline and atomically sharp terminations have made them very promising for a better understanding of sensing principles and for the development of a new generation of gas sensors. In these sensors, the surface effects dominate the bulk properties, because of enhanced properties such as catalytic activity and surface adsorption [ , , , ].

The utilization of these nano-platforms has reduced sensing instabilities caused due to drift in electrical properties [ ]. The metal oxide based gas sensing techniques have been presented by Barsan et al. Figure 9 [ ].

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Overview of the investigated metal oxide based gas sensing methodologies. Copyright Elsevier. The ink-jet printed metal oxide nanostructured SnO 2 and WO 3 based chemical sensor, fabricated on to plastic polyamide foil have been developed at micro-level for the detection of ethanol [ ]. Integrated temperature and capacitive gas sensors on flexible polyimide foil also been fabricated for sensing of target analyte.

The fabricated sensor has been tested for low and high concentration of ethanol. The step wise fabrication of flexible metals oxides based ethanol gas sensor is shown in Figure A Schematic drawing of a roll to roll production line for chemical gas sensors on plastic foil. The transducers and coating layers are coated using additive printing techniques, such as the gravure printing of IDE and the local ink-jet printing of different sensing layers.

B Integrated metal-oxide semiconductor gas sensors on polyimide foil. C Metal-oxide gas sensor platform with dry photoresist rims around the transducing areas and gas permeable filters. D Integrated temperature and capacitive gas sensors on flexible polyimide foil. E Multi-sensor platform micrograph. F Multi-sensor platform signals in response to a demonstrative gas exposure protocol: a Low ethanol concentration range. Gas sensing properties of these metal oxide nanostructures have been improved by incorporation of other nanomaterials such as carbon nanotubes CNTs [ , ], graphene [ ], gold Au [ ], platinum Pt [ ], and other nanometal oxides [ , ].

CNT decorated TiO 2 based systems have been used for gas detection at elevated temperatures. The fabricated arrays of TiO 2 -CNT systems containing [ ] sensor cells has resulted in enhanced life time and accuracy of the sensors [ ]. Thus, in spite of their high sensitivity, high power consumption continues to be a serious drawback.

New nanostructures have revealed good sensing properties and low power consumption in experiments, allowing for large scale manufacturing of well-organized nanostructured sensor arrays [ , ]. However, better growth control is required for commercial applications [ , ]. It has been shown that combined use of polymers and metal oxides in the nanocomposite form can help to remove their individual drawbacks, leading to an improved gas sensing devices.

Moreover, these nanostructures have potentially been used for various technological applications.

Prineha Narang: Computational Materials Science

We herein focus on the gas sensing applications for environmental monitoring. Figure 7 illustrates the organic-inorganic hybrid nanocomposites used to detect gases. The next section focuses on the gas sensing mechanism of the organic-inorganic hybrid nanocomposites.

They have many advantages over the inorganic counterparts like electrochemical reversibility, good mechanical performance, ease of preparation through chemical and electrochemical methods and operate at room temperature [ ]. The polymer materials are can be useful fabricating flexible gas sensors due to their excellent mechanical characteristics [ ].

On the other hand inorganic nanomaterials are more stable along with higher conductivity [ ]. The gas sensors fabricated used inorganic nanostructures especially metal oxides exhibits good sensing response due to the oxygen non-stoichiometry at surface but they lack the applications due to higher operating temperature and poor mechanical properties [ , ]. Hybrid nanocomposites provide promising direction for the gas sensors development [ 1 ].

The next recent development in synthesis nanostructure and nanocomposites of precise shape and size make it possible to achieve materials with unique physical, chemical and electric properties. It was discovered that highly sophisticated factors implies for gas sensing and related to nanostructure surface can be obtained by newly developed synthesis techniques. Recently various hybrid nanocomposites consisting metal-polymers, metal-oxide-polymers or carbon nanostructured mixed with polymers have been studied for their applications as gas sensors [ 1 ]. It was observed that the incorporation of the inorganic nanostructure in polymer increases the chemical reaction activity required foe gas sensing.

The enhanced chemical activity is due to the high ratio of surface atoms with free valences. The parameters such as shape and size of inorganic nanostructures, porosity, inter-phase interaction, surface and interfacial energy, catalysts activity, chemical reactivity control the response of the gas sensors. These parameters depend on the type and concentration of inorganic additives. The ratio of the organic and inorganic materials is very important and need careful optimization to achieve good sensing of a gas sensor [ 1 ].

It was also observed that the incorporation of inorganic nanostructure improves the stability of the polymer matrix e. The incorporation of nanotubes like CNT can provide better target gas permeability for sensing material and enhances the sensitivity of the sensors. The key attributes of sensors are as 1 selectivity is the most important characteristic of chemical and bio-sensors, various techniques used to impart selectivity are ion-selective electrodes, enzymes and the use of neural networks for enhancing selectivity, 2 A major requirement for sensors for use in the nuclear industry is the ability to withstand ionizing radiations and high electromagnetic interference, 3 Distributed monitoring of different parameters such as temperature, stress, neutron flux and vibration, 4 Ruggedness, corrosion resistance, useful working lifetime are the essential attributes particularly of embedded sensors and 4 Response time, sensitivity, size, cost and power consumption, are the other features which require special consideration.

Recently developed gas sensors are capable of a optical fiber technology based sensors provide distributed sensing, immunity to electromagnetic interference and resistance to damage by nuclear radiations, b piezoelectric and SAW based devices, c Chemical sensors based on oxide semiconducting thin films, catalytic oxidation, electrochemistry, d 0D, 1D, 2D, and 3D nanostructures based sensors, e Micro-cantilever and f Single molecule sensors.

Besides this, there is considerable scope to develop neural networks to provide selectivity.

Combinatorial methods for chemical and biological sensors

Several sensors have been developed directly to generate the electronic response in digital domain and thereby avoiding intermediate signal processing. These sensors respond to shift in one of the four properties namely, i resistivity, ii dielectric permeability, iii inductance and iv emf of the physical or physico-chemical system being probed.

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In these sensors given physico-chemical medium is probed by placing suitable electrodes in the timing circuit of an appropriate miniature logic gate oscillator. The medium thus directly governs the timing characteristic of the oscillator.


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Significant progress on the development of real time remote monitoring of electrochemical parameters, pH, temperature, differential or absolute pressure level, position, absorbed radiation dose, liquid leaks, flow characterization and surface profiling etc. A fiber optic draw tower for pulling silica based optical fibers of required diameter and strength has been developed. Optical fiber based sensors for distributed temperature monitoring with sub-meter spatial resolution for the monitoring of temperature over the range of 10 to oC is being developed.

For fabrication of thin film semiconductor and catalytic gas sensors various facilities such as vacuum deposition systems, material characterization and sensor response measurement exist. For conducting polymer based chemical and bio-sensors, both the facilities and requisite experience for preparation of Langmuir-Blodgett LB films and electrochemical growth of polymers exists. Preliminary experiments on conducting polymer sensors using LB grown Polycarbozole films and uric acid bio-sensors employing electrochemically grown PANI films have been carried out.

Currently, there are several activities on development of gas detectors, solid state detectors, polymer and inorganic scintillators, specialized detectors e. Various gas detectors that have already been developed include; ionization chambers, G. Significant progress has been made in developing large area gas detectors for international high energy physics experiments. Some of the latest developments in the area of nuclear detectors are centered using high energy accelerators.

Few examples include, Si-pixels detectors for ALICE a large ion collider experiment experiment, Si-drift and Si-strip detectors with very high position resolution for high energy physics experiments, Large area Time Projection Chamber gas detectors having large gain and very good position resolution, Multiwire Proportional Chamber, Microstrip Gas Detector, Resistive Plate Chamber and Gas Electron Multiplier based detectors, Fast and radiation hard scintillators as Pb-Scintillator crystal with very good energy resolution and large light output.

For neutron detection combination of various phosphors and use of neutron sensitive materials are the areas of current interest. Oxide semiconductor thin films and electrochemical sensors have been developed for various gases and chemicals. These provide sensitivity from ppm to ppb levels. Operating life of various sensors is however limited to few years. Significant efforts have been made to develop pattern recognition techniques for imparting selectivity to gas sensors, but they are in their infancy state and quite a good amount of work is still to be done.

Optical fibres based sensors to monitor structures and operation of plants have been developed which show high resistance to radiation and are suitable for high temperature operation.


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Optical fibre based sensors require significant further improvements and also for monitoring of many other physical parameters and chemicals that are not presently covered. Significant progress has been reported in micro-machined silicon devices. However, integrated chemical sensors with selective response and electronics on the same chip have not yet been available.

Along with above achievements, there is a need for setting up additional facilities and expertise in a Fabrication of large area high resolution Si-detectors possibly with industry participation, b Large area gas detectors with high level of uniformity, efficiency and resolution, c Detectors for pulsed neutrons in accelerators, d Deposition of films of amorphous Si, SiC and CVD diamond etc, e Fission detectors for neutron monitoring with improved sensitivity and those using U and f Photo multiplier tubes.

In summary, this review explored capabilities of nano-enabeling gas sensor to environmental monitoring. The gas sensor performance dependance on electrical, optical, morphological properties of nano-sensing materials along with the on the utilized transduction method is explained in this review.

Most recently explored application of organic-inorganic hybrid nanocomposites for gas sensing are also discussed here. The state-of-the-art, challenges, future prospects of nano enabeling gas sensing for environmental moniotring is also explained. A lot of attention is yet too paid on the selection of nano-sensing materials to improve the 3S concept i. Various organic-inorganic nanocomposites for various gas sensing applications. Reprinted with permission from ref 1. Gas sensing mechanism in organic-inorganic nanocomposite sensing systems. Copyright ACS Interface. National Center for Biotechnology Information , U.

J Pers Nanomed. Author manuscript; available in PMC Oct Author information Copyright and License information Disclaimer.

Computational Methods for Sensor Material Selection (Integrated Analytical Systems) Computational Methods for Sensor Material Selection (Integrated Analytical Systems)
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