Li2TiCrO4

Li2TiCrO4 is a semiconducting, metastable titanate compound investigated for its potential utility as an anode material in electrochemical energy storage.

Crystal structure of Li2TiCrO4
Ground-state structure · Materials Project
Overview

About Li2TiCrO4

Li2TiCrO4 is a semiconducting titanate that functions as a metastable anode material. Its complex crystal chemistry makes it a subject of interest for researchers investigating ion-storage mechanisms in transition metal oxides. The material's electronic character and structural flexibility are key to its potential performance in energy storage systems.

As a member of the titanate family, this compound is studied for its ability to accommodate lithium ions within its lattice framework. Its metastable nature suggests unique synthesis pathways, providing a distinct structural profile compared to more common, thermodynamically stable titanates used in battery technologies.

At a glance

Key Properties

Cross-validated computational properties for Li2TiCrO4, aggregated across 3 databases.

Band Gap

0.31 eV
Range across DFT structures

Energy Above Hull

0.074 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

33
3 databases, 8 space groups
Uses

Applications

Where Li2TiCrO4 is used.

Lithium-ion battery anode researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2TiCrO4, answered from cross-validated data.

What is Li2TiCrO4?

Li2TiCrO4 is a semiconducting, metastable titanate compound investigated for its potential utility as an anode material in electrochemical energy storage.

More questions
What is Li2TiCrO4 used for?
Li2TiCrO4 is used in lithium-ion battery anode research and electrochemical energy storage development.
What is the band gap of Li2TiCrO4?
Li2TiCrO4 has a DFT-computed band gap of 0.31 eV across 33 reported structures.
Is Li2TiCrO4 a metal, semiconductor, or insulator?
With a band gap up to 0.31 eV it is a semiconductor.
Is Li2TiCrO4 thermodynamically stable?
Li2TiCrO4 has a lowest energy above hull of 0.074 eV/atom (metastable).
How many polymorphs of Li2TiCrO4 are known?
33 structures of Li2TiCrO4 are reported across 3 databases, spanning 8 distinct space groups.
What elements does Li2TiCrO4 contain?
Li2TiCrO4 contains Cr, Li, O, and Ti (4 elements).
Where does the data for Li2TiCrO4 come from?
Li2TiCrO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the class of titanate anodes, Li2TiCrO4 occupies a specialized niche compared to more widely characterized materials like Li2TiO3. While Li2TiO3 is often studied for its structural stability and ceramic applications, Li2TiCrO4 offers a different electronic environment due to the inclusion of chromium, which alters the redox landscape and ion transport characteristics relative to its titanium-rich siblings.

Explore

Related Compounds

Other Titanate Anodes in the database.

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

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