Transition metal disulfide (MoTe2, MoSe2 and MoS2) were modified to improve NO2 gas sensitivity sensing

Lin, Long; Feng, Zhiyan; Dong, Zhongzhou; Tao, Hualong; Hu, Chencheng

doi:10.1016/j.jiec.2022.11.036

Cited by 11 publications

(4 citation statements)

References 60 publications

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“… This difference in the order of magnitude is likely due to insufficient sampling. In 2023, Lin et al obtained an adsorption energy of 0.11 eV for a MoS 2 monolayer using the same calculation setting as ours, which is actually one of our calculation results based on large-scale sampling (Table , 0.03–0.14 eV), including the previous results of 0.01 magnitude. These comparisons confirmed that we obtained the optimal adsorption of NO 2 on a perfect MoS 2 monolayer by sampling over a wide range.…”

Section: Resultssupporting

confidence: 72%

“…In the early studies, the adsorption energies of NO 2 on the perfect MoS 2 monolayer were mostly on the order of 0.01, 0.015, 41 0.021, 27 0.037, 28 and 0.069 eV. 26 However, the later calculations focused on the order of 0.10, 0.14, 25 and 0.11, 42 including our calculation result of 0.14 eV (Table 2 and Figure 2). 4 This difference in the order of magnitude is likely due to insufficient sampling.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

Sun,

Dong,

Tian

et al. 2024

Langmuir

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Understanding the microscopic electronic structure determines the macroscopic properties of the materials. Sufficient sampling has the same foundational importance in understanding the interactions. The NO 2 /MoS 2 interaction is well known, but there are still many inconsistencies in the basic data, and the source of the NO 2 direct dissociation activity has not been revealed. Based on a large-scale sampling density functional theory (DFT) study, the optimal adsorption of the NO 2 /MoS 2 monolayer system is determined. The impurity state on the top of the valence band of the S-vacancy monolayer (MoS 2 −V S ) was determined by cross-analysis of the band structure and density of states, which has been neglected for a long time. This provides a reasonable explanation for the direct dissociation of NO 2 on the MoX 2 monolayers. Further atomic structure analysis reveals that the impurity state originates from the not-fully occupied valence orbitals. This also corroborates the fact that the Mo material has dissociation activity, while the W material does not. There is no impurity state on the top of the valence band of the X-vacancy WS 2 and WSe 2 monolayers. Interestingly, NO 2 dissociation did not occur in the MoTe 2 −V Te monolayer. This may be related to the 6s inert electron pair effect of the Te atom. The double-oriented adsorption behavior of NO 2 is also revealed. In contrast to the MoSe 2 and MoTe 2 monolayers, NO2-oriented adsorption on the MoS 2 perfect monolayer deviates obviously, which is speculated to be related to space limitation and larger electronegativity of the S atom. The oriented adsorption ability of the MoX 2 monolayers followed the order MoTe 2 (64.4%) > MoSe 2 (44.8%) > MoS 2 (42.7%), according to the directed proportion. Renewed insights into the adsorption basic data and the understanding of the electronic structure of NO 2 /MoX 2 (X = S, Se, Te) monolayer systems provide a basic understanding of the gas−surface interactions and various future surface-related advanced applications.

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Section: Resultssupporting

confidence: 72%

Section: ■ Results and Discussionmentioning

confidence: 99%

New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

Sun,

Dong,

Tian

et al. 2024

Langmuir

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“…Moreover, SPPs are a rapidly developing field and their combination with different materials and modern systems will drive the research and development of optoelectronics science. In terms of recent materials, two-dimensional materials such as graphene [2] and transition metal disulfide [3] have distinct optical properties, and their combination with surface plasmon can produce more novel optical phenomena and devices. Moreover, researchers have been combining surface plasmons with nonlinear optics, quantum optics, and other interdisciplinary fields to further expand the prospects for photonics applications.…”

Section: Introductionmentioning

confidence: 99%

Ultra-wide measurement range D-shaped photonic crystal fiber sensor based on surface plasmon resonance

Zhang,

Yang,

Dong

2024

Preprint

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In this paper, a kind of D-type photonic crystal fiber (PCF) sensor with an ultra-wide detection range based on micro-opening gold film coating is proposed. This sensor allows for the sensing detection of the refractive index (RI) of the analyte ranging from 1.30 to 1.42. However, the sensor coated with a micro-opening gold film only achieves an average wavelength sensitivity of 1489 nm/RIU in the x-polarization direction. To improve the performance of the sensor, an attempt was made to replace the micro-opening gold film with MoO2 nanofilm. After simulation calculation, it was found that the RI detection range of the sensor using MoO2 nano-film became 1.33–1.39. Excitingly, the average wavelength sensitivity in the x-polarized direction reaches 17, 178 nm/RIU, which is 11.5 times better than the original sensor. This implies that the sensor is more sensitive to changes in the RI and can provide more accurate sensing and detection results. It has been demonstrated that the performance of a D-type PCF sensor can be significantly improved by using MoO2 nanofilm. This improvement helps to expand the application domain of sensors and enhance the accuracy of sensing detection. We believe that this research result has important implications for the development of fiber sensor technologies.

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“…In recent years, a variety of emerging sensitive materials (graphene, organic semiconductor, transition metal dichalcogenides, etc) have been explored and used in room-temperature gas sensors [11][12][13][14][15]. For instance, Ali et al prepared a gas sensor based on nanoporous naphthalene diimide thin layer for the NH 3 detection at room temperature [16].…”

Section: Introductionmentioning

confidence: 99%

Enhanced ammonia sensing response based on Pt-decorated Ti₃C₂T _x /TiO₂ composite at room temperature

Zhang¹,

Wang²,

Zou³

et al. 2023

Nanotechnology

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Herein, we report a Pt-decorated Ti3C2Tx/TiO2 gas sensor for the enhanced NH3 sensing response at room temperature. Firstly, the TiO2 nanosheets (NSs) are in-situ grown onto the two-dimensional (2D) Ti3C2Tx by hydrothermal treatment. Similar to Ti3C2Tx sensor, the Ti3C2Tx/TiO2 sensor has a positive resistance variation upon exposure to NH3, but with slight enhancement in response. However, after the loading of Pt nanoparticles (NPs), the Pt-Ti3C2Tx/TiO2 sensor shows a negative response with significantly improved NH3 sensing performance. The shift in response direction indicates that the dominant sensing mechanism has changed under the sensitization effect of Pt NPs. At room temperature, the response of Pt-Ti3C2Tx/TiO2 gas sensor to 100 ppm NH3 is about 45.5%, which is 13.8- and 10.8- times higher than those of Ti3C2Tx and Ti3C2Tx/TiO2 gas sensors, respectively. The experimental detection limit of the Pt-Ti3C2Tx/TiO2 gas sensor to detect NH3 is 10 ppm, and the corresponding response is 10.0%. In addition, the Pt-Ti3C2Tx/TiO2 gas sensor shows the fast response/recovery speed (23/34 s to 100 ppm NH3), high selectivity and good stability. Considering both the response value and the response direction, the corresponding gas-sensing mechanism is also deeply discussed. This work is expected to shed a new light on the development of noble metals decorated MXene-metal oxide gas sensors.

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Transition metal disulfide (MoTe2, MoSe2 and MoS2) were modified to improve NO2 gas sensitivity sensing

Cited by 11 publications

References 60 publications

New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

Ultra-wide measurement range D-shaped photonic crystal fiber sensor based on surface plasmon resonance

Enhanced ammonia sensing response based on Pt-decorated Ti₃C₂T _x /TiO₂ composite at room temperature

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Transition metal disulfide (MoTe2, MoSe2 and MoS2) were modified to improve NO2 gas sensitivity sensing

Cited by 11 publications

References 60 publications

New Insights into Gas–Solid Interactions of NO2/MoS2 Monolayers: a Comparative Study with MoSe2 and MoTe2 Monolayers

New Insights into Gas–Solid Interactions of NO2/MoS2 Monolayers: a Comparative Study with MoSe2 and MoTe2 Monolayers

Ultra-wide measurement range D-shaped photonic crystal fiber sensor based on surface plasmon resonance

Enhanced ammonia sensing response based on Pt-decorated Ti3C2T x /TiO2 composite at room temperature

Contact Info

Product

Resources

About

New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

New Insights into Gas–Solid Interactions of NO₂/MoS₂ Monolayers: a Comparative Study with MoSe₂ and MoTe₂ Monolayers

Enhanced ammonia sensing response based on Pt-decorated Ti₃C₂T _x /TiO₂ composite at room temperature