Na2Ti6O13

Na2Ti6O13 is a stable, semiconducting sodium titanate oxide used in research for energy storage and catalytic technologies.

Crystal structure of Na2Ti6O13 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About Na2Ti6O13

Na2Ti6O13 is a thermodynamically stable member of the layered sodium transition-metal oxide family. As a semiconducting material, it exhibits a robust structural framework that makes it a subject of significant interest for ion-conduction and catalytic processes. Its ability to maintain structural integrity under various conditions highlights its potential for long-term use in demanding chemical environments.

This compound is primarily utilized in the development of advanced energy storage systems and photocatalytic materials. By leveraging its unique layered architecture, researchers explore its utility in facilitating efficient ion transport and light-harvesting capabilities, positioning it as a versatile component in modern materials science.

At a glance

Key Properties

Cross-validated computational properties for Na2Ti6O13, aggregated across 2 databases.

Band Gap

2.92 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Na2Ti6O13, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic2.920.0000-8.7623.50
C2/m (No. 12)Monoclinic3.50
C2/m (No. 12)Monoclinic3.50
C2/m (No. 12)Monoclinic3.50
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Na2Ti6O13.

Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Na2Ti6O13 is used.

Energy storage devicesPhotocatalysisIon-conduction research
Reference

Frequently Asked Questions

Common questions about Na2Ti6O13, answered from cross-validated data.

What is Na2Ti6O13?

Na2Ti6O13 is a stable, semiconducting sodium titanate oxide used in research for energy storage and catalytic technologies.

More questions
What is Na2Ti6O13 used for?
Na2Ti6O13 is used in energy storage devices, photocatalysis, and ion-conduction research.
What is the band gap of Na2Ti6O13?
Na2Ti6O13 has a DFT-computed band gap of 2.92 eV across 4 reported structures.
Is Na2Ti6O13 a metal, semiconductor, or insulator?
With a band gap up to 2.92 eV it is a semiconductor.
Is Na2Ti6O13 thermodynamically stable?
Yes — Na2Ti6O13 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2Ti6O13?
The lowest-energy reported polymorph of Na2Ti6O13 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Na2Ti6O13?
The computed density of the ground-state structure of Na2Ti6O13 is 3.50 g/cm³.
How many polymorphs of Na2Ti6O13 are known?
4 structures of Na2Ti6O13 are reported across 2 databases, spanning 1 distinct space group.
How is Na2Ti6O13 synthesized?
Literature-reported routes for Na2Ti6O13 include sol-gel.
What elements does Na2Ti6O13 contain?
Na2Ti6O13 contains Na, O, and Ti (3 elements).
Where does the data for Na2Ti6O13 come from?
Na2Ti6O13 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the layered sodium transition-metal oxides class.

Within the diverse group of layered sodium transition-metal oxides, Na2Ti6O13 is distinguished by its high thermodynamic stability compared to more reactive counterparts like NaNiO2 or NaMnO2. While materials such as Na2Ti3O7 are often studied for their specific intercalation properties, Na2Ti6O13 offers a distinct structural configuration that provides unique benefits for stability-focused electrochemical applications.

Explore

Related Compounds

Other Layered Sodium Transition-Metal Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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