NO
                  2
           and CO gas adsorption on carbon nanotubes: Experiment and theory

Santucci, S.; Picozzi, Silvia; Gregorio, F. Di; Lozzi, L.; Cantalini, C.; Valentini, Luca; Kenny, J. M.; Delley, B.

doi:10.1063/1.1619948

Cited by 235 publications

(153 citation statements)

References 37 publications

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“…[7] This high affinity for CO over O 2 of hemoglobin and myoglobin is the underlying mechanism of carbon monoxide poisoning in mammals. [8,9] Although detectors for CO are available, there remains a need for massively [16,17] Theoretical and experimental reports have suggested that CO does not engage in charge transfer with pristine SWCNTs, [18][19][20] indicating the a chemical reactive interface is necessary. Conductivity-based CO detection has been reported for carboxylate-containing, [19] deformed, [21] or doped SWCNTs, [22] as well as SWCNTs dispersed in polymers [23] or decorated with metallic nanoparticles.…”

Section: Introductionmentioning

confidence: 99%

“…Sensors without iron porphyrin-both pristine (not shown) and functionalized (black curve) SWCNTsshowed negligible responses to CO, which was consistent with the previous reports. [18][19][20]27] Sensors with iron porphyrin showed dosimetric responses indicating irreversibility over the experimental time frame. Pristine SWCNTs (lacking the 4-pyridyl anchor group) when treated with Fe(tpp)ClO 4 (green curve) showed a modest response (−0.57 ± 0.09%).…”

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confidence: 99%

“…[10][11][12][13][14][15] Random networks of functionalized SWCNTs have produced sensors that are inexpensive to fabricate, operate at room temperature, and have ultra-low power requirements. [16,17] Theoretical and experimental reports have suggested that CO does not engage in charge transfer with pristine SWCNTs, [18][19][20] indicating the a chemical reactive interface is necessary. Conductivity-based CO detection has been reported for carboxylate-containing, [19] deformed, [21] or doped SWCNTs, [22] as well as SWCNTs dispersed in polymers [23] or decorated with metallic nanoparticles.…”

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confidence: 99%

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Bio‐Inspired Carbon Monoxide Sensors with Voltage‐Activated Sensitivity

Savagatrup

Schroeder

et al. 2017

Angewandte Chemie

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Correspondence to: Timothy M. Swager. + These authors contributed equally to this work.Supporting information and the ORCID identification number(s) for the author(s) of this article can be found under: https://doi.org/ 10.1002/anie.201707491. Conflict of interestThe authors declare the following competing financial interest(s): A patent has been filed on this technology. HHS Public Access Author Manuscript Author ManuscriptAuthor Manuscript Author ManuscriptCarbon monoxide (CO) outcompetes oxygen when binding to the iron center of hemeproteins, leading to a reduction in blood oxygen level and acute poisoning. Harvesting the strong specific interaction between CO and the iron porphyrin provides a highly selective and customizable sensor. We report the development of chemiresistive sensors with voltage-activated sensitivity for the detection of CO comprising iron porphyrin and functionalized single-walled carbon nanotubes (F-SWCNTs). Modulation of the gate voltage offers a predicted extra dimension for sensing. Specifically, the sensors show significant increase in sensitivity toward CO when negative gate voltage is applied. The dosimetric sensors are selective to ppm levels of CO and functional in air. UV/Vis spectroscopy, differential pulse voltammetry, and density functional theory reveal that the in situ reduction of Fe III to Fe II enhances the interaction between the F-SWCNTs and CO. Our results illustrate a new mode of sensors wherein redox active recognition units are voltageactivated to give enhanced and highly specific responses. CommunicationsRevving up for sensing: A platform for voltage-activated, chemiresistive gas detection has been delveloped based on covalently functionalized single-walled carbon nanotubes decorated with voltage-responsive chemical selectors. The sensor is highly selective towards CO in the presence of oxygen, nitrogen, and carbon dioxide and is robust to humidity and remains operational in air. KeywordsCarbon monoxide; carbon nanotubes; iron porphyrin; sensors; voltage-activated Carbon monoxide (CO) is responsible for more than half of all fatal poisoning worldwide. [1] Exposure to the colorless, tasteless, and odorless gas is difficult to discern as the initial symptoms of poisoning (headache, dizziness, and confusion) are nonspecific. In the United States, the Occupational Safety and Health Administration (OSHA) has designated permissible exposure limits of 50 ppm over eight hours and 200 ppm over five minutes. [2] The affinity of iron porphyrin towards CO is well-documented for the enzymes cytochrome P450, [3][4][5] hemoglobin, [6] and myoglobin. [7] This high affinity for CO over O 2 of hemoglobin and myoglobin is the underlying mechanism of carbon monoxide poisoning in mammals. [8,9] Although detectors for CO are available, there remains a need for massively [16,17] Theoretical and experimental reports have suggested that CO does not engage in charge transfer with pristine SWCNTs, [18][19][20] indicating the a chemical reactive interface is necessary. Conductivity...

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Section: Introductionmentioning

confidence: 99%

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confidence: 99%

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confidence: 99%

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Bio‐Inspired Carbon Monoxide Sensors with Voltage‐Activated Sensitivity

Savagatrup

Schroeder

et al. 2017

Angewandte Chemie

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“…4,31,32 Based on the equivalence of the adsorption energy for each combination of the GNRs and BNNRs, 20,33 we used the same probability weight for CO-adsorption on each of the B/N/C sites (similar to Ref. 14).…”

Section: 29-31mentioning

confidence: 99%

BN-C Hybrid Nanoribbons as Gas Sensors

Gilan

Chegel

2017

Journal of Elec Materi

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The effects of carbon monoxide (CO) and ammonia (NH 3 ) molecules adsorption on the various composites of boron nitride and graphene BN-C hybrid nanoribbons are investigated using the non-equilibrium Green's function (NEGF) technique based on density functional theory (DFT). The effects of adsorption with possible random configurations on the average of the density of states (DOS), transmission coefficient, and the current-voltage (I-V) characteristics are calculated. The results indicate that, by embedding armchair graphene nanoribbon (AGNR) with boron nitride nanoribbon (BNNR), the various electronic properties can be observed after gas molecule adsorption. The electronic structure and gap of hybrids system is modified due to gas adsorption, and the systems act like the n-type semiconductor by NH 3 molecule adsorption. The hybrid structures due to their tunable band gap are better candidates for gas detecting compared to the pristine BNNRs and AGNRs.

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“…Atoms, molecules and nanoparticles are some of the objects known to interact strongly with NT, paving their way to being used as nanoscopic sensors [1][2][3][4]. From the theoretical point of view, the problem of which FO produces a good NT-based sensor involves two separate studies: one addressing the conditions under which the FO adheres to the NT, and another investigating the effect that this interaction brings to the electronic properties of the device.…”

Section: Copyright C Epla 2008mentioning

confidence: 99%

Electronic properties of nanotube-based sensors: An inverse modeling approach

2008

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PACS 71.15.-m -Methods of electronic structure calculations PACS 73.22.-f -Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals PACS 71.55.-i -Impurity and defect levels Abstract -Nanotube-based sensors depend on significant conductivity changes induced by doping. Predictions of which impurity/nanotube combination provides efficient sensor characteristics are usually made on a case-by-case basis, following the study of how a particular nanotube responds to the presence of a specific doping agent. With a multitude of possible combinations, this so-called forward modeling approach is unable to address questions of general nature, like, for instance, the necessary features the components must have to produce certain physical properties on the device. Questions of this nature call for an inverse modeling scheme in which information about the sensor components can be extracted from the knowledge of a few physical quantities demanded for the device. Here we make use of a mathematically transparent formalism that works in both the forward and the inverse directions. We argue that this method can provide general guidelines on the absorption process and narrow the search for the ideal combination of tube and doping agents required to produce efficient nanoscopic sensors.

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NO 2 and CO gas adsorption on carbon nanotubes: Experiment and theory

Cited by 235 publications

References 37 publications

Bio‐Inspired Carbon Monoxide Sensors with Voltage‐Activated Sensitivity

Bio‐Inspired Carbon Monoxide Sensors with Voltage‐Activated Sensitivity

BN-C Hybrid Nanoribbons as Gas Sensors

Electronic properties of nanotube-based sensors: An inverse modeling approach

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