Acetone Adsorption on Pristine and Pt-doped Graphene: A First-Principles vdW-DF Study

Ganji, Masoud Darvish; Mazaheri, Hoda; Khosravi, Azadeh

doi:10.1088/0253-6102/64/5/576

Cited by 26 publications

(13 citation statements)

References 47 publications

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“…These results suggest that the electrophilic C atom in acetone dominates the sensor response, while for THF, the π-bonded C ring structure redistributes excess electrons, and charge transfer from the O atom in THF to graphene dominates the sensor response. Previous theoretical work shows that acetone adsorbs favorably with oxygen and hydrogen atoms above the hollow site of the carbon ring by weak van der Waals interactions and that acetone acts as an electron acceptor, , qualitatively confirming the slightly decreased resistance seen in Figure S4a at high V G voltages.…”

Section: Resultssupporting

confidence: 82%

Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation

et al. 2022

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The gas sensing properties of graphene back-gated field-effect transistor (GFET) sensors toward acetonitrile, tetrahydrofuran, and chloroform vapors were investigated with the focus on unfolding possible gas detection mechanisms. The FET configuration of the sensor device enabled gate voltage tuning for enhanced measurements of changes in DC electrical characteristics. Electrical measurements were combined with a fluctuation-enhanced sensing methodology and intermittent UV irradiation. Distinctly different features in 1/f noise spectra for the organic gases measured under UV irradiation and in the dark were observed. The most intense response observed for tetrahydrofuran prompted the decomposition of the DC characteristic, revealing the photoconductive and photogating effect occurring in the graphene channel with the dominance of the latter. Our observations shed light on understanding surface processes at the interface between graphene and volatile organic compounds for graphene-based sensors in ambient conditions that yield enhanced sensitivity and selectivity.

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Section: Resultssupporting

confidence: 82%

Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation

et al. 2022

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“…as electron acceptors, similar to cases for other graphene's derivatives [48,59]. Accordingly, few-layer glassy graphene was p-doped after contacting with acetone, causing the Fermi level to further shift to the VBM.…”

Section: Science China Materialssupporting

confidence: 53%

Multifunctional two-dimensional glassy graphene devices for vis-NIR photodetection and volatile organic compound sensing

Xiao

Dai

et al. 2021

Sci. China Mater.

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Multifunctional devices are of great interest for integration and miniaturization on the same platform, but simple addition of functionalities would lead to excessively large devices. Here, the photodetection and chemical sensing device is developed based on two-dimensional (2D) glassygraphene that meets similar property requirements for the two functionalities. An appropriate bandgap arising from the distorted lattice structure enables glassy graphene to exhibit comparable or even improved photodetection and chemical sensing capability, compared with pristine graphene. Due to strong interactions between glassy graphene and the ambient atmosphere, the devices are less sensitive to photoinduced desorption than the ones based on graphene. Consequently, the few-layer glassy graphene device delivers positive photoresponse, with a responsivity of 0.22 A W −1 and specific detectivity reaching~10 10 Jones under 405 nm illumination. Moreover, the intrinsic defects and strain in glassy graphene can enhance the adsorption of analytes, leading to high chemical sensing performance. Specifically, the extracted signalto-noise-ratio of the glassy graphene device for detecting acetone is 48, representing more than 50% improvement over the device based on graphene. Additionally, bias-voltage-and thickness-dependent volatile organic compound (VOC) sensing features are identified, indicating the few-layer glassy graphene is more sensitive. This study successfully demonstrates the potential of glassy graphene for integrated photodetection and chemical sensing, providing a promising solution for multifunctional applications further beyond.

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“…The adsorption performance of graphene to gases can be improved via defects, doping, or metal element modification. [ 25–27 ] Faye et al [ 28 ] used the Dmol 3 software to perform calculations and discovered that two‐Pd‐atom‐modified graphene can adsorb eight H 2 molecules; the average adsorption energy (

{\overset{E}{true}}_{ad}

) was −0.567 to −1.315 eV, and the hydrogen storage capacity increased to 3.6 wt%. Durgun et al [ 29 ] discovered that using V, Sc, or Ti atoms to modify graphene on both its sides can enhance the interaction between H 2 molecules and the substrate.…”

Section: Introductionmentioning

confidence: 99%

First‐Principles Study on Methane Adsorption Performance of Ti‐Modified Porous Graphene

Zhao

Chen

et al. 2021

Physica Status Solidi (b)

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Due to the rapid development of science and technology, energy consumption is increasing continually. Traditional fuels such as coal and oil are insufficient for satisfying the long-term development of humans, and fuel burning will generate a significant amount of harmful gases, which will affect the ecological environment and human health. The main component of natural gas is methane (CH 4 ). [1] Although it is not renewable energy, it has become one of the transition fuels of low-carbon energy due to its high reserves and less CO 2 is generated when it is burned, compared with coal, oil, and other fuels. Studies regarding CH 4 have been performed extensively worldwide. CH 4 is a greenhouse gas that constitutes %20% of global warming cases [2] ; therefore, it must be stored appropriately to prevent its leakage into the atmosphere. Hence, researchers are attempting to identify a material that enables large amounts of CH 4 to be stored safely and efficiently. Traditional CH 4 storage methods include liquefied natural gas [3] (LNG), compressed natural gas [4] (CNG), and adsorbed natural gas. Due to the potential safety hazards of LNG and CNG during their transportation, natural gas adsorption technology [5,6] has been vigorously investigated and developed. Currently, typical methane storage materials include primarily molecular sieves, [7] activated carbon, [8] and metal organic frameworks [9,10] (MOFs). Menon and Komarneni [11] reported a linear relationship between CH 4 storage and the material surface area of molecular sieves and other materials, although the adsorption capacity was low. Rozyyev et al. [12] demonstrated a methane reserve of 62.5 wt% at a pressure of 5 to 100 bar for the porous polymer COP-150, which exhibited a certain memory effect. Zhao et al. [13] discovered that under standard conditions, the CH 4 storage of F-modified zirconium-based MOF materials was 16.0 wt%, which afforded high stability. Liang et al. [14] reported a newly synthesized porous metal organic framework ST-2, which can store the same amount of CH 4 at 130 bar and 298 K as that of the CNG process at 250 bar, and the maximum energy storage can reach 289 cm 3 stp cm À3 under specific cases. Liu et al. [15] reported that the maximum CH 4 adsorption capacity of the DUT-49 MOF was 24.0 wt% and discovered that the CH 4 storage capacity was associated significantly with the pore size and surface area of porous materials such as MOFs and covalent organic frameworks. Chen et al. [16] discovered that the simulation-motivated synthesis of ultraporous MOFs based on metal trinuclear clusters, namely, NU-1501-M (M ¼ Al or Fe), satisfied the four Brunauer-Emmett-Teller consistency criteria. It exhibited excellent CH 4 storage performance, and the maximum CH 4 storage capacity of NU-1501-AL was 66.0 wt%. The USA Department of Energy (DOE) Advanced Research Projects Agency for Energy reported that the weight density of on-board energy CH 4 adsorption should exceed 50.0 wt% under standard conditions. [17] Currently, most CH 4 storage materials ...

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Acetone Adsorption on Pristine and Pt-doped Graphene: A First-Principles vdW-DF Study

Cited by 26 publications

References 47 publications

Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation

Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation

Multifunctional two-dimensional glassy graphene devices for vis-NIR photodetection and volatile organic compound sensing

First‐Principles Study on Methane Adsorption Performance of Ti‐Modified Porous Graphene

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