MoS2

Molybdenum disulfide · Moly, Molybdenite

Molybdenum disulfide is a stable, layered semiconducting compound widely used as a solid lubricant and a key material in semiconductor research.

Crystal structure of MoS2
Ground-state structure · Materials Project
Overview

About Molybdenum disulfide

Molybdenum disulfide is a prominent member of the transition-metal dichalcogenide family, characterized by its semiconducting electronic nature. It is a thermodynamically stable compound that exists in a variety of structural configurations, reflecting its high degree of research interest and data availability in materials science databases.

Due to its layered structure and inherent stability, this material is widely utilized in high-performance lubrication and electronic device research. Its ability to maintain structural integrity under various conditions makes it a foundational material for exploring next-generation optoelectronics and nanoscale circuitry.

At a glance

Key Properties

Cross-validated computational properties for Molybdenum disulfide, aggregated across 4 databases.

Band Gap

0.04–1.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

238
4 databases, 35 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of MoS2. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MoS2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Molybdenum disulfide is used.

Solid-state lubricantSemiconductor device researchOptoelectronic componentsCatalysisNanoscale electronics
Intellectual Property

Patent Landscape

13 patents reference MoS2 or close compositional variants.

PatentTitleAssigneeGranted
10950850Robust MoS2/graphene composite paper based electrodes for NA+ battery applications
9863039MoS2 thin film and method for manufacturing same
5037516Process to apply a MoS.sub.2 coating on a substrate
11142824Method of producing thin layer of large area transition metal dichalcogenides MoS2 and others
11525189Method of manufacturing MoS2 having 1T crystal structure
5370778Method for preparing basal oriented molybdenum disulfide (MoS.sub.2) thin films
11214728Modified MoS2 nano material, and preparation method and use thereof
10680403Bulk direct gap MoS2 by plasma induced layer decoupling
12037259Metal intercalation in layered MoS2 devices for enhanced photodetection
6451729Method for preparing a highly active, unsupported high surface-area MoS2 catalyst
Reference

Frequently Asked Questions

Common questions about Molybdenum disulfide, answered from cross-validated data.

What is MoS2?

Molybdenum disulfide is a stable, layered semiconducting compound widely used as a solid lubricant and a key material in semiconductor research.

More questions
What is MoS2 used for?
Molybdenum disulfide (MoS2) is used in solid-state lubricant, semiconductor device research, optoelectronic components, catalysis, and nanoscale electronics.
What is the band gap of MoS2?
Molybdenum disulfide (MoS2) has a DFT-computed band gap of 0.04–1.66 eV across 238 reported structures.
Is MoS2 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is MoS2 thermodynamically stable?
Yes — Molybdenum disulfide (MoS2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoS2 are known?
238 structures of MoS2 are reported across 4 databases, spanning 35 distinct space groups.
How is MoS2 synthesized?
Literature-reported routes for MoS2 include sol gel, solid state (4 procedures documented).
What elements does MoS2 contain?
Molybdenum disulfide (MoS2) contains Mo and S (2 elements).
Where does the data for MoS2 come from?
MoS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal dichalcogenides class.

Within the transition-metal dichalcogenide class, MoS2 stands out as one of the most extensively studied and stable semiconductors, often serving as the benchmark for comparing electronic performance against siblings like MoSe2 or the more complex ReS2. While many members of this group share similar layered architectures, MoS2 is uniquely favored for its abundance and well-documented synthesis pathways compared to less common or more specialized dichalcogenides.

Explore

Related Compounds

Other Transition-Metal Dichalcogenides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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