Transition Metal–MoS2 Reactions: Review and Thermodynamic Predictions

Abstract

Molybdenum disulfide is a layered transition-metal dichalcogenide semiconductor that is attracting renewed attention for its potential use in future nanoscale electronics, optoelectronics, catalysis, tribology, and other fields. In all of these cases, the interaction between MoS 2 and various transition metals is very important. In this work we survey the thermodynamics of the metal-Mo-S systems and the anticipated reaction products from transition metals and MoS 2 . We examined over 200 references on the reactions between transitions metals (M) and MoS 2 , compiled thermodynamic data, and used the thermodynamic data to predict M-Mo-S ternary phase diagrams for systems without experimentally determined diagrams. Where possible, experimental literature on the interactions between metals and MoS 2 was used to corroborate our predicted diagrams and stable reaction products. Both the previously reported and newly predicted M-Mo-S phase diagrams fall into three categories. In the first category, the metal is in thermodynamic equilibrium with MoS 2 . In another, there is a driving force for the metal to reduce MoS 2 , with tie lines to sulfides of the contact metal dominating the phase diagram. In a final category, there is a very stable solid solution or ternary phase that dominates the phase diagram. Better understanding of the phase equilibria in the M-Mo-S systems will aid research on the use of MoS 2 in a variety of fields.

Room Temperature van der Waals Epitaxy of Metal Thin Films on Molybdenum Disulfide

“…Prior work indicates that the formation of new compounds are thermodynamically favored to occur at room temperature in many early transition metal−MoS 2 systems. 2 However, a purely thermodynamical view ignores the equally important role that kinetics plays in real systems. Therefore, experimentation is necessary to determine whether transition metals react with MoS 2 at moderate temperatures and times typically used in device processing and packaging and to reveal other features of these heterostructures.…”

“…There are a few possible results when a TMD and metal are placed into contact: they can react to form new compounds, metal atoms can substitute on the Mo or S lattices, metal atoms can intercalate between the layers of the TMD, or the two materials can have an atomically abrupt interface. Prior work indicates that the formation of new compounds are thermodynamically favored to occur at room temperature in many early transition metal–MoS 2 systems . However, a purely thermodynamical view ignores the equally important role that kinetics plays in real systems.…”

Contacts for Molybdenum Disulfide: Interface Chemistry and Thermal Stability

“…A recent review by Domask et al [70] focuses on thermodynamic predictions of transition metal-MoS 2 interface reactions. The key prediction is that many metals will react with MoS 2 .…”

Instrumental Techniques for Characterization of Molybdenum Disulphide Nanostructures

“…However, upon annealing, electric doping, and by controlling strains, 2H-MoS 2 can be transformed to 1T and 3R phases [ 36 ]. Due to the unique 2D structures, MoS 2 nanomaterials possess extraordinary electronic, optical, mechanical, and thermal properties, and this made it gain popularity in applications such as lubricants, catalysis, sensing, photoluminescence, and optics [ 37 – 40 ].…”