Synthesis and characterization of 2D transition metal dichalcogenides: Recent progress from a vacuum surface science perspective

Lasek, Kinga; Li, Jing‐Feng; Kolekar, Sadhu; Coelho, Paula Mariel; Guo, Lu’an; Zhang, Min; Wang, Zhiming; Batzill, Matthias

doi:10.1016/j.surfrep.2021.100523

Cited by 58 publications

(53 citation statements)

References 485 publications

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“…Layered TMDs have been demonstrated to exhibit changes in their electronic properties if reduced to a single layer. [ 23–34 ] In Pt‐dichalcogenides, these modifications are very pronounced, while bulk and few layer materials are known to be metallic, single molecular layers of PtSe 2 or PtTe 2 become semiconductors with a bandgap well above 1 eV, in the case of PtSe 2 . [ 10,35–39 ] This extraordinary opening of a considerable bandgap for the monolayer will also affect the electronic structure of the defective material.…”

Section: Introductionmentioning

confidence: 99%

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Joseph

Ghorbani‐Asl

et al. 2022

Adv Funct Materials

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Edges and point defects in layered dichalcogenides are important for tuning their electronic and magnetic properties. By combining scanning tunneling microscopy (STM) with density functional theory (DFT), the electronic structure of edges and point defects in 2D-PtSe 2 are investigated where the 1.8 eV bandgap of monolayer PtSe 2 facilitates the detailed characterization of defect-induced gap states by STM. The stoichiometric zigzag edge terminations are found to be energetically favored. STM and DFT show that these edges exhibit metallic 1D states with spin polarized bands. Various native point defects in PtSe 2 are also characterized by STM. A comparison of the experiment with simulated images enables identification of Se-vacancies, Pt-vacancies, and Se-antisites as the dominant defects in PtSe 2 . In contrast to Se-or Pt-vacancies, the Se-antisites are almost devoid of gap states. Pt-vacancies exhibit defect induced states that are spin polarized, emphasizing their importance for inducing magnetism in PtSe 2 . The atomic-scale insights into defect-induced electronic states in monolayer PtSe 2 provide the fundamental underpinning for defect engineering of PtSe 2 -monolayers and the newly identified spin-polarized edge states offer prospects for engineering magnetic properties in PtSe 2 nanoribbons.

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Section: Introductionmentioning

confidence: 99%

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Joseph

Ghorbani‐Asl

et al. 2022

Adv Funct Materials

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“…Not only point, but also line defects have been reported to exist in TMDs. [17][18][19][20][21] Among them, mirror twin boundaries (MTBs) of various types 22 with relatively low formation energies have been found. Moreover, contrary to serpentine or low-angle grain boundaries, 17,18 which appear during the growth when domains with arbitrary crystal orientation coalesce, the formation of straight MTBs is energetically favorable in non-stoichiometric chalcogen-decient TMDs.…”

Section: Introductionmentioning

confidence: 99%

“…23 Indeed, their appearance in originally pristine TMD samples has been observed under electron irradiation, which created chalcogen vacancies [23][24][25] or Mo deposition 26 at moderate temperatures. Most important, their concentration can be very high, 20 and to some extent, controlled using the post-synthesis approaches described above.…”

Section: Introductionmentioning

confidence: 99%

Water dissociation and association on mirror twin boundaries in two-dimensional MoSe₂: insights from density functional theory calculations

et al. 2021

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“…Given the large interest on these materials, surprisingly little effort has been devoted to understanding the fundamental properties of their Fermi surfaces, i.e., fermiology, and its effect on the material properties [8]. Experimentally, Fermi surfaces are commonly investigated using angle-resolved photoemission spectroscopy (ARPES) [8,9]. ARPES results for delaminated Ti 3 C 2 , the prototypical MXene, were reported by Schultz et al [10], but since the measured film consists of randomly oriented flakes, the ARPES data was azimuthally averaged, which prevented the extraction of the Fermi-surface shape.…”

Section: Introductionmentioning

confidence: 99%

Fermiology of two-dimensional titanium carbide and nitride MXenes

2021

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MXenes are a family two-dimensional transition-metal carbide and nitride materials, which often exhibit very good metallic conductivity and are thus of great interest for applications in, e.g., flexible electronics, electrocatalysis, and electromagnetic interference shielding. However, surprisingly little is known about the fermiology of MXenes, i.e., the shape and size of their Fermi surfaces, and its effect on the material properties. One reason for this may be that MXene surfaces are almost always covered by a mixture of functional groups, and studying Fermi surfaces of disordered systems is cumbersome. Here, we study fermiology of four common Ti-based MXenes as a function of the surface functional group composition. We first calculate the effective band structures of systems with explicit mixed surfaces and observe gradual evolution in the filling of the Ti-d band and resulting shift of Fermi level. We then demonstrate that these band structures can be closely approximated by using pseudohydrogenated surfaces, and also compare favorably to the experimental angle-resolved photoemission spectroscopy results. By modifying the pseudohydrogen charge we then proceed to plot Fermi surfaces for all systems and extract their properties, such as the Fermi-surface area and average Fermi velocity. These are in turn used to evaluate the electrical conductivity with the relaxation time fitted to experimentally measured conductivities.

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Synthesis and characterization of 2D transition metal dichalcogenides: Recent progress from a vacuum surface science perspective

Cited by 58 publications

References 485 publications

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Water dissociation and association on mirror twin boundaries in two-dimensional MoSe₂: insights from density functional theory calculations

Fermiology of two-dimensional titanium carbide and nitride MXenes

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Synthesis and characterization of 2D transition metal dichalcogenides: Recent progress from a vacuum surface science perspective

Cited by 58 publications

References 485 publications

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe2

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe2

Water dissociation and association on mirror twin boundaries in two-dimensional MoSe2: insights from density functional theory calculations

Fermiology of two-dimensional titanium carbide and nitride MXenes

Contact Info

Product

Resources

About

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe₂

Water dissociation and association on mirror twin boundaries in two-dimensional MoSe₂: insights from density functional theory calculations