Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor

Upadhyay, Deepak; Roondhe, Basant; Pratap, Arun; Jha, Prafulla K.

doi:10.1016/j.apsusc.2019.01.057

Cited by 57 publications

(34 citation statements)

References 68 publications

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“…In the CoOOH structure, Co atom is bonded to two O atoms with one O atom bonded with H atom (Figure 1a). The bond lengths of CoÀ O and OÀ H were respectively 1.952 and 0.991 Å, which agreed with the results by Upadhyay et al [56]. Moreover, bulk CoOOH was an indirect bandgap semiconductor with bandgap (E g ) energy of 3.74 eV from HSE06 calculations.…”

Section: Geometry and Stabilitysupporting

confidence: 89%

“…CoOOH has a central hexagonal quasi-planar structure with a lattice parameter of a = b = 2.845 Å, c = 23.138 Å and α = β = 90°, γ = 120°, which agreed with the 2.87 Å calculated by Upadhyay et al [56]. In the CoOOH structure, Co atom is bonded to two O atoms with one O atom bonded with H atom (Figure 1a).…”

Section: Geometry and Stabilitysupporting

confidence: 87%

“…The electronic band structure is a vital parameter for assessing the electrical properties of 2D materials [69]. The bandgap energy of pristine CoOOH was calculated to be 1.55 eV, but this energy was higher than previously predicted E g of 0.5 eV [56], because of the underestimation of bandgap with PBE functional [59]. After the H 2 S, HCN and HF gas molecules adsorption, the bandgap energy was calculated as 0.59, 0.78 and 1.02 eV (Figure 5b-d), smaller than the bandgap energy of pristine CoOOH.…”

Section: Gas Sensing Mechanismmentioning

confidence: 68%

“…The corresponding E ads values were calculated as −0.43, −0.80 and −0.58 eV for H 2 S, HCN and HF gas molecules, respectively, and were all in the typical physisorption range. Among the gas molecules, HCN has the strongest (−0.80 eV), while H 2 S has the weakest adsorption strength (−0.43 eV), signifying slightly higher selectivity of CoOOH sheet towards HCN and HF sensing than that of H 2 O 2 and NH 3 gas molecules [56]. All of the E ads were large enough to endure thermal disturbances (about 25.7 meV at 298 K) at room temperature [61].…”

Section: Resultsmentioning

confidence: 99%

See 3 more Smart Citations

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation

Opoku

Govender

2020

Electroanalysis

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Using density functional theory, we have systematically investigate the room temperature gassensing performance of two-dimensional delafossite cobalt oxyhydroxide (CoOOH) sheets as H 2 S, HCN and HF detection. Our findings show that CoOOH is sensitive to H 2 S, HCN and HF gas by a physisorption interaction. The CoOOH sheets exhibit significant changes after the gas molecules adsorption, particularly its electrical conductivity. The suitable adsorption energy, which guarantees short recovery time, remarkable high sensitivity and selectivity, appreciable work function change and sharply enhanced electrical conductivity make CoOOH sheets as an effective nanosensor for toxic H 2 S, HCN and HF gases detection.

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Section: Geometry and Stabilitysupporting

confidence: 89%

Section: Geometry and Stabilitysupporting

confidence: 87%

Section: Gas Sensing Mechanismmentioning

confidence: 68%

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation

Opoku

Govender

2020

Electroanalysis

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“…Volatile organic compounds (VOC) or poisonous gases (PG) such as 2-butanone, ethanol, acetone, nitrogen (II) oxide, nitrogen (IV) oxide, and ammonia are incredibly harmful to human health and the environment. Human health is threatened by the combustion of organic fuels and leakages of toxic gases [ 46 , 47 , 48 ]. Methyl ethyl ketone (2-butanone) is a colorless liquid with a sharp, sweet odor, commonly used as a solvent in manufacturing processes to produce plastics, textiles, and paraffin wax, and in electronics.…”

Section: Multifunctional Applications Of Graphitic Carbon Nitride mentioning

confidence: 99%

Graphitic Carbon Nitride: A Highly Electroactive Nanomaterial for Environmental and Clinical Sensing

Idris

Oseghe

Msagati

et al. 2020

Sensors

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Graphitic carbon nitride (g-C3N4) is a two-dimensional conjugated polymer that has attracted the interest of researchers and industrial communities owing to its outstanding analytical merits such as low-cost synthesis, high stability, unique electronic properties, catalytic ability, high quantum yield, nontoxicity, metal-free, low bandgap energy, and electron-rich properties. Notably, graphitic carbon nitride (g-C3N4) is the most stable allotrope of carbon nitrides. It has been explored in various analytical fields due to its excellent biocompatibility properties, including ease of surface functionalization and hydrogen-bonding. Graphitic carbon nitride (g-C3N4) acts as a nanomediator and serves as an immobilization layer to detect various biomolecules. Numerous reports have been presented in the literature on applying graphitic carbon nitride (g-C3N4) for the construction of electrochemical sensors and biosensors. Different electrochemical techniques such as cyclic voltammetry, electrochemiluminescence, electrochemical impedance spectroscopy, square wave anodic stripping voltammetry, and amperometry techniques have been extensively used for the detection of biologic molecules and heavy metals, with high sensitivity and good selectivity. For this reason, the leading drive of this review is to stress the importance of employing graphitic carbon nitride (g-C3N4) for the fabrication of electrochemical sensors and biosensors.

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Multiscale identification of the inorganic shell of core (Co)/shell‐assembled nanoparticles

Simon,

Costanzo,

Lisiecki

et al. 2024

J Raman Spectroscopy

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Core (Co)/shell (Co‐oxide) nanoparticles assembly exhibits interesting magnetic properties that depend on the inorganic shell characteristic (composition and crystalline structure). Assemblies of pure and partially oxidized cobalt (core/shell) nanoparticles, ~9 nm in diameter, were prepared and analyzed by techniques probing the matter at macroscale to nanoscale: UV–visible‐near‐infrared (NIR) transmission, FTIR, Raman microspectroscopy, and transmission electron microscopy. Attention is paid to compare nonoxidized and (partially) oxidized Co nanoparticles, coated with lauric acid as stabilizing agent (ligands). The approximately 1 nm disordered inorganic coating is perfectly detected by transmission electron microscopy, UV–visible–NIR, infrared, and Raman spectroscopy. The Raman spectrum is sensitive to laser wavelength and power due to the local heating induced by the laser, which modifies the interaction between the organic chains and the nanoparticle inorganic shell. For comparison, nanoparticle films were analyzed under heating from room temperature to 300°C. The “fusion” (dynamic disorder) of lauric (dodecanoic) chains is observed concomitantly with the merging of very low wavenumber Lambs' modes into a Rayleigh wing, which is consistent with an increase in the topological nanoparticle disorder. Hydroxylation or water adsorption is observed for Co film. The UV–visible–NIR and Raman spectra of the Co‐oxide shell do not correspond to that of CoO (rock salt) nor to that of Co3O4 (spinel) but has some similarity to that of 2D delafossite (CoOOH) phase.

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Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor

Cited by 57 publications

References 68 publications

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation

Graphitic Carbon Nitride: A Highly Electroactive Nanomaterial for Environmental and Clinical Sensing

Multiscale identification of the inorganic shell of core (Co)/shell‐assembled nanoparticles

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Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor

Cited by 57 publications

References 68 publications

Two‐dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

Two‐dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation

Graphitic Carbon Nitride: A Highly Electroactive Nanomaterial for Environmental and Clinical Sensing

Multiscale identification of the inorganic shell of core (Co)/shell‐assembled nanoparticles

Contact Info

Product

Resources

About

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation

Two‐dimensional CoOOH as a Highly Sensitive and Selective H₂S, HCN and HF Gas Sensor: A Computational Investigation