Catalytic oxidation degradation of formaldehyde on FeN3-graphene surface: A DFT study

Liu, Zhijian; De-wang, Zhang; Jin, Guangqiu; Yang, Weijie

doi:10.1016/j.apsusc.2020.147594

Cited by 27 publications

(7 citation statements)

References 57 publications

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“…Other information, including the adsorption height, binding distance, charge transfer, adsorption energy, and magnetic moment, is displayed in Table S2. As shown in Figure S4, O 2 can adsorb on FeN 3 -gra parallelly with an adsorption energy of -3.03 eV, which is similar to pioneering research [29]. This result has proceeded about 1.5 times of the adsorption energy on FeSV-gra [48].…”

Section: The Adsorptionsupporting

confidence: 78%

“…For example, the first-principle investigation of N 2 adsorption on FeN 3 -doped graphene (FeN 3 -gra) has been performed and the results demonstrate that the catalyst can activate * N to * NH with high efficiency [28]. Liu et al have also investigated the degradation of CH 2 O to H 2 O and CO 2 on FeN 3 -gra, indicating that the desorption process of the reaction products is advantageous in this system [29]. However, the reports on the gases, including C 2 H 2 , H 2 S, SO 2 , SO 3 , and O 2 , are limited on FeN 3 -gra.…”

Section: Introductionmentioning

confidence: 99%

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The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

et al. 2022

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Herein, we have investigated the adsorption behavior of gas molecules, including C2H2, H2S, SO2, SO3, and O2, on FeN3-doped graphene (FeN3-gra). The change of geometric stability, electric structure, and magnetic properties is discussed comprehensively. The results have demonstrated that the stability of the substrate is enhanced by the hybridization between Fe and N atoms in FeN3-gra. Besides, the Fe dopant can enhance the adsorption ability of gases on graphene. The gas molecules all exhibit high binding strength on FeN3-gra especially for SO3 with the adsorption energy of -3.30 eV. The mechanism of interaction between gases and substrate is investigated based on the charge density difference and density of states, which can clarify the distribution of electrons and magnetic moments. Moreover, the high stability and sensitivity of FeN3-gra are promising characters for gas detection. Our research has paved the way for the application of the graphene-based material in gas sensor and electronic instrument.

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Section: The Adsorptionsupporting

confidence: 78%

Section: Introductionmentioning

confidence: 99%

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

et al. 2022

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“…The better the electrochemical performance of MFC is, the faster the degradation efficiency of formaldehyde is. 36 Figure 4b shows the formaldehyde degradation stability of MFC loading composite anode M-Co 3 O 4 -PEDOT-GF. It is generally believed that the MFC loading M-Co 3 O 4 -PEDOT-GF anode could always maintain high efficient degradation of formaldehyde in 10 cycles.…”

Section: Resultsmentioning

confidence: 99%

High-Efficiency Degradation of Formaldehyde and Bioelectricity Generation by Microbial Fuel Cell

Gao,

Xue,

Wang

et al. 2023

J. Electrochem. Soc.

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Formaldehyde is a common organic pollutant in water with teratogenic and carcinogenic effects. This study reports that 200 mg/L formaldehyde in water can be effectively degraded with generating electricity by using microbial fuel cell (MFC) technology. A novel composite anode M-Co3O4-PEDOT-GF was prepared by modifying Co3O4 nanoparticles (M-Co3O4) derived from ZIF-67 and poly (3,4-ethylenedioxythiophene) (PEDOT) on the surface of Graphite felt (GF) . The results showed that the MFC loading M-Co3O4-PEDOT-GF anode exhibited excellent electricity generation performance and formaldehyde degradation. The maximum voltage of the MFC was 549 mV, 46.0% increase than that of GF anode (376 mV), and higher than N-Co3O4-PEDOT-GF anode (488 mV) modified with commercial Co3O4 (N-Co3O4). The maximum power density of the MFC loading composite anode was 4177 mW/m2, while that of MFC loading bare GF anode was 1562 mW/m2. The dominant microorganisms were Pseudomonadales and Rhizobiales at the order level. The removal efficiency of formaldehyde by MFC loading M-Co3O4-PEDOT-GF anode was 89.2% in 152 h. The high efficiency of formaldehyde degradation was still maintained after 10 cycles. The results could be attributed to the composite anode with loose porous three-dimensional structure and good biological compatibility of PEDOT.

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“…Formaldehyde (HCHO) is a common air pollutant classified as a group I carcinogen, poses a considerable threat to human health [1][2][3][4] and is a significant contributor to indoor air pollution, 5,6 which is a recognized public health issue. The Environmental Protection Agency has confirmed that indoor air pollution, which includes exposure to formaldehyde, is one of the top risks to human health, especially since people spend most of their time indoors.…”

Section: Introductionmentioning

confidence: 99%

Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights

Chen,

Wang,

Wang

et al. 2023

Phys. Chem. Chem. Phys.

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Catalytic oxidation degradation of formaldehyde on FeN3-graphene surface: A DFT study

Cited by 27 publications

References 57 publications

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

High-Efficiency Degradation of Formaldehyde and Bioelectricity Generation by Microbial Fuel Cell

Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights

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Catalytic oxidation degradation of formaldehyde on FeN3-graphene surface: A DFT study

Cited by 27 publications

References 57 publications

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene

High-Efficiency Degradation of Formaldehyde and Bioelectricity Generation by Microbial Fuel Cell

Efficient degradation of formaldehyde based on DFT-screened metal-doped C3N6 monolayer photocatalysts: performance evaluation and mechanistic insights

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Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights