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Keywords = molybdenum disulfide clusters

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18 pages, 9314 KiB  
Article
Enhanced NH3 Sensing Performance of Mo Cluster-MoS2 Nanocomposite Thin Films via the Sulfurization of Mo6 Cluster Iodides Precursor
by Meiqi Zhang, Fabien Grasset, Yuji Masubuchi, Toshihiro Shimada, Thi Kim Ngan Nguyen, Noée Dumait, Adèle Renaud, Stéphane Cordier, David Berthebaud, Jean-François Halet and Tetsuo Uchikoshi
Nanomaterials 2023, 13(3), 478; https://doi.org/10.3390/nano13030478 - 24 Jan 2023
Cited by 9 | Viewed by 2757
Abstract
The high-performance defect-rich MoS2 dominated by sulfur vacancies as well as Mo-rich environments have been extensively studied in many fields, such as nitrogen reduction reactions, hydrogen evolution reactions, as well as sensing devices for NH3, which are attributed to the [...] Read more.
The high-performance defect-rich MoS2 dominated by sulfur vacancies as well as Mo-rich environments have been extensively studied in many fields, such as nitrogen reduction reactions, hydrogen evolution reactions, as well as sensing devices for NH3, which are attributed to the under-coordinated Mo atoms playing a significant role as catalytic sites in the defect area. In this study, the Mo cluster-MoS2 composite was creatively synthesized through a one-step sulfurization process via H2/H2S gas flow. The Mo6 cluster iodides (MIs) coated on the fluorine-doped tin oxide (FTO) glass substrate via the electrophoretic deposition method (i.e., MI@FTO) were used as a precursor to form a thin-film nanocomposite. Investigations into the structure, reaction mechanism, and NH3 gas sensing performance were carried out in detail. The results indicated that during the gas flowing, the decomposed Mo6 cluster iodides played the role of template and precursor, forming complicated Mo cluster compounds and eventually producing MoS2. These Mo cluster-MoS2 thin-film nanocomposites were fabricated and applied as gas sensors for the first time. It turns out that after the sulfurization process, the response of MI@FTO for NH3 gas increased three times while showing conversion from p-type to n-type semiconductor, which enhances their possibilities for future device applications. Full article
(This article belongs to the Special Issue Functional Nanocomposite Material Based on Metal Atom Clusters)
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10 pages, 2260 KiB  
Article
Cluster Formation Effect of Water on Pristine and Defective MoS2 Monolayers
by Kangli Wang and Beate Paulus
Nanomaterials 2023, 13(2), 229; https://doi.org/10.3390/nano13020229 - 4 Jan 2023
Cited by 2 | Viewed by 1825
Abstract
The structure and electronic properties of the molybdenum disulfide (MoS2) monolayer upon water cluster adsorption are studied using density functional theory and the optical properties are further analyzed with the Bethe–Salpeter equation (BSE). Our results reveal that the water clusters are [...] Read more.
The structure and electronic properties of the molybdenum disulfide (MoS2) monolayer upon water cluster adsorption are studied using density functional theory and the optical properties are further analyzed with the Bethe–Salpeter equation (BSE). Our results reveal that the water clusters are electron acceptors, and the acceptor tendency tends to increase with the size of the water cluster. The electronic band gap of both pristine and defective MoS2 is rather insensitive to water cluster adsorbates, as all the clusters are weakly bound to the MoS2 surface. However, our calculations on the BSE level show that the adsorption of the water cluster can dramatically redshift the optical absorption for both pristine and defective MoS2 monolayers. The binding energy of the excitons of MoS2 is greatly enhanced with the increasing size of the water cluster and finally converges to a value of approximately 1.16 eV and 1.09 eV for the pristine and defective MoS2 monolayers, respectively. This illustrates that the presence of the water cluster could localize the excitons of MoS2, thereby greatly enhance the excitonic binding energy. Full article
(This article belongs to the Special Issue Graphene and Related 2D Materials)
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10 pages, 3441 KiB  
Article
Electronic Properties of Triangle Molybdenum Disulfide (MoS2) Clusters with Different Sizes and Edges
by Songsong Wang, Changliang Han, Liuqi Ye, Guiling Zhang, Yangyang Hu, Weiqi Li and Yongyuan Jiang
Molecules 2021, 26(4), 1157; https://doi.org/10.3390/molecules26041157 - 22 Feb 2021
Cited by 20 | Viewed by 3216
Abstract
The electronic structures and transition properties of three types of triangle MoS2 clusters, A (Mo edge passivated with two S atoms), B (Mo edge passivated with one S atom), and C (S edge) have been explored using quantum chemistry methods. The highest [...] Read more.
The electronic structures and transition properties of three types of triangle MoS2 clusters, A (Mo edge passivated with two S atoms), B (Mo edge passivated with one S atom), and C (S edge) have been explored using quantum chemistry methods. The highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap of B and C is larger than that of A, due to the absence of the dangling of edge S atoms. The frontier orbitals (FMOs) of A can be divided into two categories, edge states from S3p at the edge and hybrid states of Mo4d and S3p covering the whole cluster. Due to edge/corner states appearing in the FMOs of triangle MoS2 clusters, their absorption spectra show unique characteristics along with the edge structure and size. Full article
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6 pages, 1546 KiB  
Communication
Lattice Resonances in Transdimensional WS2 Nanoantenna Arrays
by Viktoriia E. Babicheva and Jerome V. Moloney
Appl. Sci. 2019, 9(10), 2005; https://doi.org/10.3390/app9102005 - 16 May 2019
Cited by 19 | Viewed by 3824
Abstract
Mie resonances in high-refractive-index nanoparticles have been known for a long time but only recently have they became actively explored for control of light in nanostructures, ultra-thin optical components, and metasurfaces. Silicon nanoparticles have been widely studied mainly because of well-established fabrication technology, [...] Read more.
Mie resonances in high-refractive-index nanoparticles have been known for a long time but only recently have they became actively explored for control of light in nanostructures, ultra-thin optical components, and metasurfaces. Silicon nanoparticles have been widely studied mainly because of well-established fabrication technology, and other high-index materials remain overlooked. Transition metal dichalcogenides, such as tungsten or molybdenum disulfides and diselenides, are known as van der Waals materials because of the type of force holding material layers together. Transition metal dichalcogenides possess large permittivity values in visible and infrared spectral ranges and, being patterned, can support well-defined Mie resonances. In this Communication, we show that a periodic array of tungsten disulfide (WS2) nanoantennae can be considered to be transdimensional lattice and supports different multipole resonances, which can be controlled by the lattice period. We show that lattice resonances are excited in the proximity to Rayleigh anomaly and have different spectral changes in response to variations of one or another orthogonal period. WS2 nanoantennae, their clusters, oligomers, and periodic array have the potential to be used in future nanophotonic devices with efficient light control at the nanoscale. Full article
(This article belongs to the Special Issue Nano-photonic Materials and Devices)
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