PO2

PO2 is a wide-band-gap insulating phosphorus oxide that is considered a promising candidate for synthesis due to its near-stable thermodynamic profile.

OP
Crystal structure of PO2
Ground-state structure · Materials Project
Overview

About PO2

PO2 is a phosphorus oxide characterized by its insulating electronic nature and wide band gap. As a material that sits near the thermodynamic hull, it represents a compelling subject for experimental synthesis and structural investigation within the phosphorus-oxygen system. Its structural complexity is highlighted by a vast array of reported configurations across crystalline databases. The compound's proximity to stability suggests that it may be accessible under specific processing conditions, making it a point of interest for researchers exploring non-traditional phosphorus-based frameworks. Its insulating behavior positions it as a potential candidate for dielectric applications or as a component in specialized electronic thin films.

At a glance

Key Properties

Cross-validated computational properties for PO2, aggregated across 3 databases.

Band Gap

4.52 eV
Range across DFT structures

Energy Above Hull

0.022 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

127
3 databases, 31 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting PO2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where PO2 is used.

Dielectric materials researchAdvanced electronic thin filmsFundamental materials science studies
Intellectual Property

Patent Landscape

2 patents reference PO2 or close compositional variants.

PatentTitleAssigneeGranted
4374816Process for producing hypo-phosphorous acid (H.sub.3 PO.sub.2) and non-transition metal hypophosphites
4265866Process for producing hypophosphorous acid (H.sub.3 PO.sub.2) and non-transition metal hypophosphites
Reference

Frequently Asked Questions

Common questions about PO2, answered from cross-validated data.

What is PO2?

PO2 is a wide-band-gap insulating phosphorus oxide that is considered a promising candidate for synthesis due to its near-stable thermodynamic profile.

More questions
What is PO2 used for?
PO2 is used in dielectric materials research, advanced electronic thin films, and fundamental materials science studies.
What is the band gap of PO2?
PO2 has a DFT-computed band gap of 4.52 eV across 127 reported structures.
Is PO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.52 eV it is an insulator / wide-band-gap material.
Is PO2 thermodynamically stable?
PO2 has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
How many polymorphs of PO2 are known?
127 structures of PO2 are reported across 3 databases, spanning 31 distinct space groups.
How is PO2 synthesized?
Literature-reported routes for PO2 include sol gel, solid state (9 procedures documented).
What elements does PO2 contain?
PO2 contains O and P (2 elements).
Where does the data for PO2 come from?
PO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a phosphorus oxide with significant structural diversity, PO2 serves as an intriguing case study in the broader landscape of p-block oxides. While many phosphorus oxides are well-characterized, this specific stoichiometry remains a challenging target for synthesis, occupying a unique position in the chemical space where structural variety is high but thermodynamic stability is finely balanced.

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

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