TiI4

Titanium tetraiodide · Titanium(IV) iodide

Titanium tetraiodide is a stable semiconducting compound frequently utilized as a chemical precursor in industrial and laboratory synthesis.

ITi
Crystal structure of TiI4
Ground-state structure · Materials Project
Overview

About Titanium tetraiodide

Titanium tetraiodide is a semiconducting inorganic compound that exists as a thermodynamically stable phase. Its structural integrity is well-documented, with numerous reported configurations across various databases, reflecting its significance in solid-state research.

This compound serves as a vital reagent in chemical synthesis, particularly in the production of high-purity titanium metal and specialized thin-film deposition processes. Its unique electronic properties and stability make it a valuable precursor for advanced material fabrication.

At a glance

Key Properties

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

Band Gap

1.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

23
3 databases, 8 space groups
Uses

Applications

Where Titanium tetraiodide is used.

Chemical vapor depositionSynthesis of high-purity titaniumCatalysisOrganic synthesis
Intellectual Property

Patent Landscape

2 patents reference TiI4 or close compositional variants.

PatentTitleAssigneeGranted
7410917Atomic layer deposited Zr-Sn-Ti-O films using TiI4
6958302Atomic layer deposited Zr-Sn-Ti-O films using TiI4
Reference

Frequently Asked Questions

Common questions about Titanium tetraiodide, answered from cross-validated data.

What is TiI4?

Titanium tetraiodide is a stable semiconducting compound frequently utilized as a chemical precursor in industrial and laboratory synthesis.

More questions
What is TiI4 used for?
Titanium tetraiodide (TiI4) is used in chemical vapor deposition, synthesis of high-purity titanium, catalysis, and organic synthesis.
What is the band gap of TiI4?
Titanium tetraiodide (TiI4) has a DFT-computed band gap of 1.09 eV across 23 reported structures.
Is TiI4 a metal, semiconductor, or insulator?
With a band gap up to 1.09 eV it is a semiconductor.
Is TiI4 thermodynamically stable?
Yes — Titanium tetraiodide (TiI4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TiI4 are known?
23 structures of TiI4 are reported across 3 databases, spanning 8 distinct space groups.
What elements does TiI4 contain?
Titanium tetraiodide (TiI4) contains I and Ti (2 elements).
Where does the data for TiI4 come from?
TiI4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable, semiconducting halide, titanium tetraiodide represents a foundational example of titanium-based inorganic compounds. It plays a critical role in its class by facilitating chemical vapor transport and acting as a versatile building block for complex material synthesis.

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

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