Ti2N2O

Ti2N2O is a metastable titanium oxynitride semiconductor used in advanced materials research.

NOTi
Crystal structure of Ti2N2O
Ground-state structure · Materials Project
Overview

About Ti2N2O

Ti2N2O is a complex titanium oxynitride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique arrangement of titanium, nitrogen, and oxygen atoms that offers intriguing possibilities for materials engineering where specific electronic properties are required.

Its significance lies in the interplay between the metallic titanium centers and the electronegative nitrogen and oxygen anions. This combination allows for the tuning of electronic characteristics, making it a subject of interest for researchers looking to develop specialized functional materials for next-generation devices.

At a glance

Key Properties

Cross-validated computational properties for Ti2N2O, aggregated across 2 databases.

Band Gap

0.44–1.14 eV
Range across DFT structures

Energy Above Hull

0.057 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

26
2 databases, 3 space groups
Uses

Applications

Where Ti2N2O is used.

Semiconductor researchOptoelectronic material developmentFunctional thin film studies
Reference

Frequently Asked Questions

Common questions about Ti2N2O, answered from cross-validated data.

What is Ti2N2O?

Ti2N2O is a metastable titanium oxynitride semiconductor used in advanced materials research.

More questions
What is Ti2N2O used for?
Ti2N2O is used in semiconductor research, optoelectronic material development, and functional thin film studies.
What is the band gap of Ti2N2O?
Ti2N2O has a DFT-computed band gap of 0.44–1.14 eV across 26 reported structures.
Is Ti2N2O a metal, semiconductor, or insulator?
With a band gap up to 1.14 eV it is a semiconductor.
Is Ti2N2O thermodynamically stable?
Ti2N2O has a lowest energy above hull of 0.057 eV/atom (metastable).
How many polymorphs of Ti2N2O are known?
26 structures of Ti2N2O are reported across 2 databases, spanning 3 distinct space groups.
What elements does Ti2N2O contain?
Ti2N2O contains N, O, and Ti (3 elements).
Where does the data for Ti2N2O come from?
Ti2N2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxynitride, Ti2N2O occupies a distinct niche in materials science, serving as an example of how nitrogen and oxygen can be integrated into a titanium framework to achieve semiconducting properties. Unlike more common binary oxides or nitrides, this compound demonstrates the potential for complex anion-mixed phases to provide specific electronic responses that are not easily accessible in simpler systems.

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

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