HREM studies of layered transition metal sulfide catalytic materials

Chianelli, Russell R.; Ruppert, A. F.; ́n, Miguel Jose ́-Yacama; ́zquez-Zavala, Armando Va

doi:10.1016/0920-5861(94)00167-z

Cited by 59 publications

(29 citation statements)

References 24 publications

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“…The image was obtained experimentally using a transmission electron microscope model FEI Tecnai TF20 (200kV), equipped with a STEM unit, high-angle annular dark-field (HAADF) detector and X-Twin lenses. Dispersion onto (111) Co 9 S 8 was observed from TEM measurements which are consistent with [17], one can observe "fringes". This is characteristic of MoS 2 slabs, since its layered compound formed by stacked slabs maintained by van der Waals forces [18].…”

Section: Methodssupporting

confidence: 79%

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures

Ramos

Berhault

Farías³

et al. 2011

MRS Proc.

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Locating cobalt promoters on catalytically MoS 2 structures is a challenging task to achieve; this is due to the size on those MoS 2 nanostructures. Previous reports in the literature indicate that specific locations for Co in MoS 2 slabs are (1010)-plane creating either a sulfur-Co or Molybdenum-Co termination edge, due to lower energy required for the permutation Mo, S and Co to occur. We present results obtained from Density Functional Theory study done on the interface between MoS 2 and Co 9 S 8 crystal structures; the interface show an interesting thiocubane cluster and it is suspected to be the responsible for Mo-S-Co bonding to exist, along with HDS reaction. In order to understand electronic properties on thiocubane Density of States and Mulliken Population Analysis calculations were implemented using Cambridge Serial Total Energy Package (CASTEP). Results indicate a strong electron donation from Co to Mo through intermediate sulfur atom bonded to both metals while an enhanced metallic character is also found.

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Section: Methodssupporting

confidence: 79%

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures

Ramos

Berhault

Farías³

et al. 2011

MRS Proc.

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“…Basal-bonded layers could not be visualized particularly if thick substrates are used while edge-bonded layers are visible [27]. However, even in that case, a tilt of 5 • from the normal direction to the support is sufficient to make particles undetectable [28]. HRTEM is "seeing" less than 10% of the active phase.…”

Section: Introductionmentioning

confidence: 93%

Structural studies of catalytically stabilized model and industrial-supported hydrodesulfurization catalysts

Rosa

Texier

Berhault

et al. 2004

Journal of Catalysis

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“…We reported these observations previously in experimental HRTEM and simulated them for 2R-MoS 2 slabs when rotated about 12° in the c -direction [3,9]. Furthermore, we were able to produce the formation of Moiré patterns on other materials (i.e., tungsten disulfide (WS 2 ), graphene and tungsten diselenide (WSe 2 )) by achieving this lattice rotation on the molecular models, which created honeycomb-like features, observing as well the formation of new O-lattices as presented in Figure 1 (corresponding to the distance between ending points at the edge of the honeycomb-like structure).…”

Section: Resultsmentioning

confidence: 76%

Band Gap Tuning in 2D Layered Materials by Angular Rotation

et al. 2017

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We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed.

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HREM studies of layered transition metal sulfide catalytic materials

Cited by 59 publications

References 24 publications

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures

Structural studies of catalytically stabilized model and industrial-supported hydrodesulfurization catalysts

Band Gap Tuning in 2D Layered Materials by Angular Rotation

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HREM studies of layered transition metal sulfide catalytic materials

Cited by 59 publications

References 24 publications

A DFT and HRTEM Study on MoS2/Co: Locating Promoters in Catalytic Nanostructures

A DFT and HRTEM Study on MoS2/Co: Locating Promoters in Catalytic Nanostructures

Structural studies of catalytically stabilized model and industrial-supported hydrodesulfurization catalysts

Band Gap Tuning in 2D Layered Materials by Angular Rotation

Contact Info

Product

Resources

About

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures

A DFT and HRTEM Study on MoS₂/Co: Locating Promoters in Catalytic Nanostructures