On the structure of molybdenum diselenide and disulfide

Bronsema, Klaas Derk; Boer, J. L. de; Jellinek, F.

doi:10.1002/zaac.19865400904

Cited by 180 publications

(140 citation statements)

References 6 publications

Supporting

Mentioning

114

Contrasting

Order By: Relevance

“…The distance between Mo and S atoms constitutes dMo-S = 2.42 Å and between two sulfur atoms dS-S = 3.17 Å [85] . The interlayer distance is given by d = 6.5 Å and it is commonly regarded as the thickness of one single layer [19] .…”

Section: Crystal Structure and Electronic Bands Of Semiconducting Tmdsmentioning

confidence: 99%

Light–matter interaction in transition metal dichalcogenides and their heterostructures

Wurstbauer¹,

Miller²,

Parzinger³

et al. 2017

J. Phys. D: Appl. Phys.

110

View full text Add to dashboard Cite

Abstract:The investigation of two-dimensional van der Waals materials is a vibrant, fast moving and still growing interdisciplinary area of research. Two-dimensional van der Waals materials are truly two-dimensional crystals with strong covalent in-plane bonds and weak van der Waals interaction between the layers with a variety of different electronic, optical and mechanical properties. A very prominent class of twodimensional materials are transition metal dichalcogenides and amongst them particularly the semiconducting subclass. Their properties include bandgaps in the near-infrared to the visible range, decent charge carrier mobility together with high (photo-)catalytic and mechanical stability and exotic many body phenomena. These characteristics make the materials highly attractive for both fundamental research as well as innovative device applications. Furthermore, the materials exhibit a strong light matter interaction providing a high sun light absorbance of up to 15% in the monolayer limit, strong scattering cross section in Raman experiments and access to excitonic phenomena in van der Waals heterostructures. This review focuses on the light matter interaction in MoS2, WS2, MoSe2, and WSe2 that is dictated by the materials complex dielectric functions and on the multiplicity of studying the first order phonon modes by Raman spectroscopy to gain access to several material properties such as doping, strain, defects and temperature. Two-dimensional materials provide an interesting platform to stack them into van der Waals heterostructures without the limitation of lattice mismatch resulting in novel devices for application but also to study exotic many body interaction phenomena such as interlayer excitons. Future perspectives of semiconducting transition metal dichalcogenides and their heterostructures for applications in optoelectronic devices will be examined and routes to study emergent fundamental problems and manybody quantum phenomena under excitations with photons will be discussed.

show abstract

Section: Crystal Structure and Electronic Bands Of Semiconducting Tmdsmentioning

confidence: 99%

Light–matter interaction in transition metal dichalcogenides and their heterostructures

Wurstbauer¹,

Miller²,

Parzinger³

et al. 2017

J. Phys. D: Appl. Phys.

110

View full text Add to dashboard Cite

show abstract

“…MoS 2 bulk is a layered-type crystal the lattice of which is described by the hexagonal space group P63/mmc with a ¼ b ¼ 3.160 Å and c ¼ 12.294 Å [40]. Its crystal structure belongs to a family of polytypic structures with close-packed triangular double layers of S with Mo atoms arranged in the trigonal-prismatic holes of the S double layers ( Fig.…”

Section: Catalyst Modelsmentioning

confidence: 99%

Atoms in Molecules Theory for Exploring the Nature of the Active Sites on Surfaces

Aray¹,

Rodríguez²,

Vega³

2007

The Quantum Theory of Atoms in Molecules

View full text Add to dashboard Cite

The atoms in molecules theory provides a rigorous definition of chemical bonds for all types of molecules and solids [1][2][3][4][5][6][7][8][9][10] and has proven useful in analysis of the physical properties of insulators, pure metals, and alloys [4][5][6][7][8]. In particular, it has been observed that the strength of the bonding between a given pair of atoms in a molecule correlates with the values of the electron density at the bond critical point, r b [1]. A simple relationship between the binding energy and r b in periodic solids has also been reported [4,6,8]. The AIM theory also leads to unique partition of three-dimensional space into a collection of chemically identifiable regions called atomic basins (the atoms in a molecule or in a crystal). These are the most transferable pieces one can define in exhaustive partitioning of the real space [1]. In this chapter we describe the implementation of an algorithm that uses the r(r) topological information to determine the main elements of the AIM theory for periodic systems, and discuss an application to nanocatalysis. Implementing the Determination of the Topological Properties of r(r) from a Three-dimensional GridThe CPs are usually calculated using the Newton-Raphson (NR) technique [11]. The NR algorithm starts from a truncated Taylor expansion at a point r ¼ r 0 þ h, about r 0 of a multidimensional scalar function ð'rðrÞÞ:where H is the Hessian (the Jacobian of 'rðrÞÞ at point r 0 . The best step, h, to move from the initial r 0 to the CP is h ¼ ÀH À1 'rðr 0 Þ. This correction is then used to obtain a vector r new ¼ r old þ th (t is a small value) and the process is iter- 231The Quantum Theory of Atoms in Molecules. Edited

show abstract

“…Their alattice constant of 0.476 nm is approximately 1.5 times higher than the lattice constant of MoS 2 (0.315 nm). 14 It has been shown that this combination leads to a 3-on-2 structure as well as defined crystal alignment and orientation of MoS 2 on sapphire substrates. 15 The energetically favored orientation results in grain boundaries with partially metallic behavior.…”

Section: Methodsmentioning

confidence: 99%

Metalorganic Vapor-Phase Epitaxy Growth Parameters for Two-Dimensional MoS2

Marx

Grundmann

Lin

et al. 2017

Journal of Elec Materi

View full text Add to dashboard Cite

The influence of the main growth parameters on the growth mechanism and film formation processes during metalorganic vapor-phase epitaxy (MOVPE) of two-dimensional MoS 2 on sapphire (0001) have been investigated. Deposition was performed using molybdenum hexacarbonyl and di-tert-butyl sulfide as metalorganic precursors in a horizontal hot-wall MOVPE reactor from AIXTRON. The structural properties of the MoS 2 films were analyzed by atomic force microscopy, scanning electron microscopy, and Raman spectroscopy. It was found that a substrate prebake step prior to growth reduced the nucleation density of the polycrystalline film. Simultaneously, the size of the MoS 2 domains increased and the formation of parasitic carbonaceous film was suppressed. Additionally, the influence of growth parameters such as reactor pressure and surface temperature is discussed. An upper limit for these parameters was found, beyond which strong parasitic deposition or incorporation of carbon into MoS 2 took place. This carbon contamination became significant at reactor pressure above 100 hPa and temperature above 900°C.

show abstract

On the structure of molybdenum diselenide and disulfide

Cited by 180 publications

References 6 publications

Light–matter interaction in transition metal dichalcogenides and their heterostructures

Light–matter interaction in transition metal dichalcogenides and their heterostructures

Atoms in Molecules Theory for Exploring the Nature of the Active Sites on Surfaces

Metalorganic Vapor-Phase Epitaxy Growth Parameters for Two-Dimensional MoS2

Contact Info

Product

Resources

About