A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study

Impeng, Sarawoot; Junkaew, Anchalee; Maitarad, Phornphimon; Kungwan, Nawee; Zhang, Dengsong; Shi, Liyi; Namuangruk, Supawadee

doi:10.1016/j.apsusc.2018.12.209

Cited by 69 publications

(53 citation statements)

References 48 publications

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“…Furthermore, numerous calculations regarding CO and CO 2 have been implemented via DFT to study the interaction of graphene or doped graphene and gas molecules. [122][123][124][125][126][127] Fan et al studied single-and double-layer graphene and concluded that singlelayer graphene shows a higher response. 127 Recently, Salih et al (2020) studied Pt-doped hydrogen and nitrogen armchair graphene nanoribbons (AGNR) for CO and CO 2 sensing theoretically.…”

Section: Co X Sensorsmentioning

confidence: 99%

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

et al. 2021

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Section: Co X Sensorsmentioning

confidence: 99%

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

et al. 2021

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“…According to the World Health Organization (WHO), the safety limit for NO 2 gas is 410 ppb per hour [ 1 ]. Hence, monitoring the trace amounts of NO 2 is necessary from health perspective and plays an important role in environmental pollution [ 2 ], air quality, and industrial safety [ 3 , 4 , 5 , 6 , 7 ].…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Cu2O-Modified Reduced Graphene Oxide for NO2 Sensors

Huang

Wang

Ying

et al. 2021

Sensors

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Nowadays, metal oxide semiconductors (MOS)-reduced graphene oxide (rGO) nanocomposites have attracted significant research attention for gas sensing applications. Herein, a novel composite material is synthesized by combining two p-type semiconductors, i.e., Cu2O and rGO, and a p-p-type gas sensor is assembled for NO2 detection. Briefly, polypyrrole-coated cuprous oxide nanowires (PPy/Cu2O) are prepared via hydrothermal method and combined with graphene oxide (GO). Then, the nanocomposite (rGO/PPy/Cu2O) is obtained by using high-temperature thermal reduction under Ar atmosphere. The results reveal that the as-prepared rGO/PPy/Cu2O nanocomposite exhibits a maximum NO2 response of 42.5% and is capable of detecting NO2 at a low concentration of 200 ppb. Overall, the as-prepared rGO/PPy/Cu2O nanocomposite demonstrates excellent sensitivity, reversibility, repeatability, and selectivity for NO2 sensing applications.

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“…They clearly demonstrated the superiority of MnN 4 catalyst 37 . In a different study based on DFT, Impeng and co-workers investigated the correlation between magnetic moment and strength of chemisorption of 13 gases on MnN 4 -embedded graphene 38 . Only five gases (i.e., NO, NO 2 , O 2 , CO, and SO 2 ) exhibited strong chemisorption with large binding energies (-2.30, -1.42, -1.32, -1.11, and -0.51 eV, respectively).…”

Section: Introductionmentioning

confidence: 99%

“…Furthermore, only three gases (i.e., NO, CO and NO 2 ) were able to reduce the magnetization from 3.01 μ B to 0.13, 1.04, and 2.01 μ B , respectively. The estimated recovery times for these three gases were large except CO gas to have 1.7 s. So, the authors proposed MnN 4 -embedded graphene as a platform for a promising magnetic sensor for CO detection 38 . Regarding the magnetism of TM-atom embedded in C 2 N, Du and co-workers presented DFT study of magnetization due the embedment of 3d-TM atoms into the pore of C 2 N. They reported the existence of ferromagnetic ground state for TM atoms: Sc, Ti, V, Cr, Mn, Fe, Co and Ni, and paramagnetic state for Cu and Zn 39 .…”

Section: Introductionmentioning

confidence: 99%

Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

Mushtaq

Tit

2021

Sci Rep

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Density functional theory (DFT) method is used to study the effect of single-atom catalyst (SAC) of Mn embedded in C2N nanoribbon (C2N-NR) on the adsorption properties as an attempt to achieve selectivity. Many gases (e.g., CO, CO2, H2, H2O, H2S, N2 and O2) of interest to energy and environmental applications were tested. The results show that SAC-Mn alters chemisorption processes with all gas molecules except N2. Clear adsorption selectivity is obtained towards oxidizing CO, CO2 and O2 molecules as evidenced by the enhancements in binding energy and charge transfer and the reduction in magnetization. While the SAC-Mn contributes predominantly to Fermi-energy region with spin-down states, the strong binding to oxidizing molecules introduces there more spin-up states to compromise and reduce the magnetization. Hence, C2N-NR:Mn is proposed to be used as platform for gas sensor (if combined with magnetic sensor) to yield high selectivity toward these latter gases.

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A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study

Cited by 69 publications

References 48 publications

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

Synthesis of Cu2O-Modified Reduced Graphene Oxide for NO2 Sensors

Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

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