MnMoO4

manganese molybdate

MnMoO4 is a stable semiconducting manganese molybdate oxide utilized primarily as a catalyst for oxygen-evolution reactions.

Crystal structure of MnMoO4 (monoclinic, P2/c (No. 13))
Ground-state structure · Materials Project
Overview

About manganese molybdate

Manganese molybdate is a semiconducting oxide that holds a significant position within the family of oxygen-evolution catalysts. Its status as a thermodynamically stable phase on the convex hull makes it a robust candidate for electrochemical applications where structural integrity under operating conditions is paramount.

With multiple reported structural variations, this compound offers a versatile platform for exploring catalytic activity. Its electronic character facilitates charge transfer processes, which are essential for the efficient splitting of water and other related electrochemical energy conversion reactions.

At a glance

Key Properties

Cross-validated computational properties for manganese molybdate, aggregated across 3 databases.

Band Gap

1.07–2.74 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MnMoO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2/c (No. 13)monoclinic1.410.0000-8.7175.30
C2/m (No. 12)monoclinic2.740.0169-8.7004.22
P2 (No. 3)monoclinic1.070.0321-8.6855.09
P2/c (No. 13)
C2/m (No. 12)Monoclinic3.94
C2/m (No. 12)Monoclinic4.43
C2/m (No. 12)Monoclinic4.08
Uses

Applications

Where manganese molybdate is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater splitting research
Reference

Frequently Asked Questions

Common questions about manganese molybdate, answered from cross-validated data.

What is MnMoO4?

MnMoO4 is a stable semiconducting manganese molybdate oxide utilized primarily as a catalyst for oxygen-evolution reactions.

More questions
What is MnMoO4 used for?
manganese molybdate (MnMoO4) is used in oxygen-evolution catalysis, electrochemical energy conversion, and water splitting research.
What is the band gap of MnMoO4?
manganese molybdate (MnMoO4) has a DFT-computed band gap of 1.07–2.74 eV across 7 reported structures.
Is MnMoO4 a metal, semiconductor, or insulator?
With a band gap up to 2.74 eV it is a semiconductor.
Is MnMoO4 thermodynamically stable?
Yes — manganese molybdate (MnMoO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MnMoO4?
The lowest-energy reported polymorph of manganese molybdate (MnMoO4) is monoclinic symmetry, space group P2/c (No. 13).
What is the density of MnMoO4?
The computed density of the ground-state structure of manganese molybdate (MnMoO4) is 5.30 g/cm³.
How many polymorphs of MnMoO4 are known?
7 structures of MnMoO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does MnMoO4 contain?
manganese molybdate (MnMoO4) contains Mn, Mo, and O (3 elements).
Where does the data for MnMoO4 come from?
MnMoO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the lithiated transition metal oxides such as LiCoO2 or LiMn2O4 that are primarily optimized for battery intercalation, MnMoO4 is specifically categorized for its catalytic potential in oxygen-evolution reactions. While materials like LaMnO3 are frequently studied for their perovskite-based catalytic surfaces, MnMoO4 provides a distinct molybdate-based framework that offers different active site geometries for surface-mediated redox processes.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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