Structural defects in 2D MoS2 nanosheets and their roles in the adsorption of airborne elemental mercury

Zhao, Haitao; Mu, Xueliang; Zheng, Chenghang; Liu, Shaojun; Zhu, Yanqiu; Gao, Xiang; Wu, Tao

doi:10.1016/j.jhazmat.2018.11.107

Cited by 113 publications

(40 citation statements)

References 55 publications

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“…Recently, several new classes of 2D nanostructures like transition metal dichalcogenides (TMDs) have been studied with more emphasis on molybdenum disulde (MoS 2 ), which exhibits a number of interesting properties such as high catalytic activity, 12 bandgap variation with number of layers, 13,14 high carrier mobility 15,16 and gas sensing capability that have made it widely used in the adsorption of gas molecules especially toxic gases. [17][18][19] In parallel with the efforts on graphene-like materials, recent studies have focused on the advantage of merging individual properties of different 2D materials. To this end, multilayer heterostructure materials are produced by stacking 2D-crystals of each nanomaterial, 20 bonded by relatively weak van der Waals (vdW)-like forces.…”

Section: Introductionmentioning

confidence: 99%

A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study

et al. 2019

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The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO 2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO 2 confined within graphene-molybdenum disulfide (MoS 2 ) nanosheets using density functional theory (DFT). A comprehensive analysis of CO 2 adsorption energies (E AE ) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS 2 /MoS 2 (MoS 2 B) bilayers as well as graphene/MoS 2 (GMoS 2 ) and MoS 2 /graphene (MoS 2 G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5Å and 8.5Å interlayer spacings are the most stable conformations for CO 2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS 2 B > GrapheneB > MoS 2 G > GMoS 2 . By incorporating van der Waals (vdW) interactions between the CO 2 molecule and the surfaces, we find that CO 2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO 2 adsorption on the heterostructures (GMoS 2 , MoS 2 G) due to the modality of the atom arrangement (C-Mo-S-O and Mo-S-O-C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO 2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO 2 and these surfaces causes charge transfer and redistributions.By contrast, the density of states (DOS) plots show that CO 2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS 2 . In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene-MoS 2 nanosheets for the improved adsorption efficiency of CO 2 .

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Section: Introductionmentioning

confidence: 99%

A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study

et al. 2019

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“…However, the high operating temperature window of 300 -400°C is associated with a variety of problems [6,7], such as the possible oxidation of SO2 and the high energy consumption [8,9]. Therefore, there is a need for the development of low temperature SCR catalysts, which has attracted a wide attention in recent years [10,11].…”

Section: Introductionmentioning

confidence: 99%

Promotion effect and mechanism of the addition of Mo on the enhanced low temperature SCR of NOx by NH3 over MnOx/γ-Al2O3 catalysts

Yang

Zhao

Luo

et al. 2019

Applied Catalysis B: Environmental

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A series of Mn/γ-Al2O3 and MnMo/γ-Al2O3 catalysts were prepared by using Incipient Wetness Impregnation (IWI) method. The catalytic performance tests showed that the Mn3Mo1.25/γ-Al2O3 demonstrated a higher SCR performance (NO conversion of around 96%) at a broad low temperature range (150 to 300°C). The characterization showed that the addition of Mo to the Mn/γ-Al2O3 catalysts could promote the dispersion of MnOx on the surface of γ-Al2O3. The adsorption of NO could form two different species, nitrites and nitrates on the surface of the catalyst. The presence of nitrites is beneficial to low temperature SCR. It is also found that the existence of Mo in the catalyst favours the formation of Mn 3+ , which plays a critical role in the adsorption of NH3 and therefore improves NH3 adsorption capacity of the MnOx/γ-Al2O3 catalysts. The low temperature SCR of the Mn3Mo1.25/γ-Al2O3 catalyst was found to mainly follow L-H mechanism, but E-R mechanism also plays a role to some extent. Moreover, it is also found that the addition of Mo not only mitigates the deactivation of catalysts, but also broadens the effective temperature range of the SCR catalyst.

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“…However, when the VMD method decomposes the signal, the decomposition effect is seriously affected by the number of decomposition components [56][57][58][59][60]. Some other methods have been proposed to realize signal analysis and fault diagnosis in recent years [61][62][63][64][65][66][67][68][69][70][71][72][73][74][75][76][77][78][79][80].…”

Section: Introductionmentioning

confidence: 99%

Fault Diagnosis for a Bearing Rolling Element Using Improved VMD and HT

Liu

Yuan

et al. 2019

Applied Sciences

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The variational mode decomposition (VMD) method for signal decomposition is severely affected by the number of components of the VMD method. In order to determine the decomposition modal number, K, in the VMD method, a new center frequency method of the multi-threshold is proposed in this paper. Then, an improved VMD (MTCFVMD) algorithm based on the center frequency method of the multi-threshold is obtained to decompose the vibration signal into a series of intrinsic modal functions (IMFs). The Hilbert transformation is used to calculate the envelope signal of each IMF component, and the maximum frequency value of the power spectral density is obtained in order to effectively and accurately extract the fault characteristic frequency and realize the fault diagnosis. The rolling element vibration data of the motor bearing is used to test the effectiveness of proposed methods. The experiment results show that the center frequency method of the multi-threshold can effectively determine the number, K, of decomposed modes. The proposed fault diagnosis method based on MTCFVMD and Hilbert transformation can effectively and accurately extract the fault characteristic frequency, rotation frequency, and frequency doubling, and can obtain higher diagnostic accuracy.

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Structural defects in 2D MoS2 nanosheets and their roles in the adsorption of airborne elemental mercury

Cited by 113 publications

References 55 publications

A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study

A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study

Promotion effect and mechanism of the addition of Mo on the enhanced low temperature SCR of NOx by NH3 over MnOx/γ-Al2O3 catalysts

Fault Diagnosis for a Bearing Rolling Element Using Improved VMD and HT

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Structural defects in 2D MoS2 nanosheets and their roles in the adsorption of airborne elemental mercury

Cited by 113 publications

References 55 publications

A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study

A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study

Promotion effect and mechanism of the addition of Mo on the enhanced low temperature SCR of NOx by NH3 over MnOx/γ-Al2O3 catalysts

Fault Diagnosis for a Bearing Rolling Element Using Improved VMD and HT

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A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study

A comparative study of mechanisms of the adsorption of CO₂ confined within graphene–MoS₂ nanosheets: a DFT trend study