Adsorption characteristics of formaldehyde on nitrogen doped graphene-based single atom adsorbents: A DFT study

Liu, Zhijian; De-wang, Zhang; Wei, Tianhe; Wang, Liangqi; Li, Xiaojing; Liu, Boxiang

doi:10.1016/j.apsusc.2019.07.114

Cited by 25 publications

(7 citation statements)

References 51 publications

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“…The main parameters of the three models, including the bond length (d), iron atom charge (q Fe ), prominence height (h), formation energy (E for ) and binding energy (E bin ), are listed in Table 1. The main parameters of the three catalysts are similar to those of previous studies, [53][54][55] proving that our DFT calculation should be reasonable and credible. The E for of the three catalysts are all below zero, indicating that these congurations are thermodynamically favorable and stable.…”

Section: Catalyst Model and Selective Adsorptionsupporting

confidence: 84%

Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere

et al. 2023

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Section: Catalyst Model and Selective Adsorptionsupporting

confidence: 84%

Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere

et al. 2023

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“…For example, the electrons transfer from the nitrogen at ammonia to hydroxyl at graphene [77]. In comparison, the electrons are extracted from HCHO to reduced graphene oxides [48,54,79,80]. However, the pristine graphene acts as electron acceptor when interacting with formaldehyde [81].…”

Section: Resultsmentioning

confidence: 99%

An effective formaldehyde gas sensor based on oxygen-rich three-dimensional graphene

Zhang

Pang

et al. 2022

Nanotechnology

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Three-dimensional (3D) graphene with a high specific surface area and excellent electrical conductivity holds extraordinary potential for molecular gas sensing. Gas molecules adsorbed onto graphene serve as electron donors, leading to an increase in conductivity. However, several challenges remain for 3D graphene-based gas sensors, such as slow response and long recovery time. Therefore, research interest remains in the promotion of the sensitivity of molecular gas detection. In this study, we fabricate oxygen plasma-treated 3D graphene for the high-performance gas sensing of formaldehyde. We synthesize large-area, high-quality, 3D graphene over Ni foam by chemical vapor deposition (CVD) and obtain freestanding 3D graphene foam after Ni etching. We compare three types of strategies—non-treatment, oxygen plasma, and etching in HNO3 solution—for the posttreatment of 3D graphene. Eventually, the strategy for oxygen plasma-treated 3D graphene exceeds expectations, which may highlight the general gas sensing based on chemiresistors.

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“…The understanding of the catalytic mechanism on metal SAC facilitates the design of the efficient catalyst at the atomic level for HCHO oxidation. DFT calculations [32i,j,38] have been used to elucidate the reaction mechanisms in catalytic HCHO oxidation. Simulation results revealed that an Al‐doped graphene SAC enabled the catalytic oxidation of HCHO at room temperature with the pathways of HCHO→HCOOH→CO→CO 2 [32i] .…”

Section: Application Of Single‐atom Catalysts For Vocs Abatementmentioning

confidence: 99%

Noble Metal Single‐Atom Catalysts for the Catalytic Oxidation of Volatile Organic Compounds

et al. 2022

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Volatile organic compounds (VOCs) are detrimental to the environment and human health and must be eliminated before discharging. Oxidation by heterogeneous catalysts is one of the most promising approaches for the VOCs abatement. Precious metal catalysts are highly active for the catalytic oxidation of VOCs, but they are rare and their high price limits large‐scale application. Supported metal single‐atom catalysts (SACs) have a high atom efficiency and provide the possibility to circumvent such limitations. This Review summarizes recent advances in the use of metal SACs for the complete oxidation of VOCs, such as benzene, toluene, formaldehyde, and methanol, as well as aliphatic and Cl‐ and S‐containing hydrocarbons. The structures of the metal SACs used and the reaction mechanisms of the VOC oxidation are discussed. The most widely used SACs are noble metals supported on oxides, especially on reducible oxides, such as Mn2O3 and TiO2. The reactivity of most SACs is related to the activity of surface lattice oxygen of the oxides. Furthermore, several metal SACs show better reactivity and improved S and Cl resistance than the corresponding nanocatalysts, indicating that SACs have potential for application in the oxidation of VOCs. The deactivation and regeneration mechanisms of the metal SACs are also summarized. It is concluded that the application of metal SACs in catalytic oxidation of VOCs is still in its infancy. This Review aims to elucidate structure–performance relationships and to guide the design of highly efficient metal SACs for the catalytic oxidation of VOCs.

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Adsorption characteristics of formaldehyde on nitrogen doped graphene-based single atom adsorbents: A DFT study

Cited by 25 publications

References 51 publications

Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere

Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere

An effective formaldehyde gas sensor based on oxygen-rich three-dimensional graphene

Noble Metal Single‐Atom Catalysts for the Catalytic Oxidation of Volatile Organic Compounds

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