Pd2Cl2O

Pd2Cl2O is a metastable semiconducting compound composed of palladium, chlorine, and oxygen.

ClOPd
Crystal structure of Pd2Cl2O
Ground-state structure · Materials Project
Overview

About Pd2Cl2O

Pd2Cl2O is a specialized palladium-based oxychloride that exhibits semiconducting electronic behavior. As a metastable compound, it represents a complex arrangement of palladium, chlorine, and oxygen atoms that requires precise synthesis conditions to maintain its structural integrity.

This material is of significant interest to researchers studying the coordination chemistry of noble metal halides and oxides. Its existence within multiple structural databases highlights its role as a subject of ongoing investigation into the fundamental properties of transition metal oxyhalides.

At a glance

Key Properties

Cross-validated computational properties for Pd2Cl2O, aggregated across 3 databases.

Band Gap

0.46 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where Pd2Cl2O is used.

Materials science researchCatalysis studiesSolid-state chemistry investigation
Reference

Frequently Asked Questions

Common questions about Pd2Cl2O, answered from cross-validated data.

What is Pd2Cl2O?

Pd2Cl2O is a metastable semiconducting compound composed of palladium, chlorine, and oxygen.

More questions
What is Pd2Cl2O used for?
Pd2Cl2O is used in materials science research, catalysis studies, and solid-state chemistry investigation.
What is the band gap of Pd2Cl2O?
Pd2Cl2O has a DFT-computed band gap of 0.46 eV across 5 reported structures.
Is Pd2Cl2O a metal, semiconductor, or insulator?
With a band gap up to 0.46 eV it is a semiconductor.
Is Pd2Cl2O thermodynamically stable?
Pd2Cl2O has a lowest energy above hull of 0.036 eV/atom (metastable).
How many polymorphs of Pd2Cl2O are known?
5 structures of Pd2Cl2O are reported across 3 databases, spanning 2 distinct space groups.
What elements does Pd2Cl2O contain?
Pd2Cl2O contains Cl, O, and Pd (3 elements).
Where does the data for Pd2Cl2O come from?
Pd2Cl2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the palladium oxychloride family, this compound serves as a distinct case study for metastable phase formation, occupying a specific niche where palladium-oxygen-chlorine bonding configurations are explored without the direct structural analogs found in more common binary systems.

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

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