B3H5

B3H5 is a boron-hydrogen compound being investigated as a potential medium for chemical hydrogen storage.

Crystal structure of B3H5
Ground-state structure · Materials Project
Overview

About B3H5

B3H5 is a boron-based hydride characterized by its insulating electronic structure and wide band gap. Its classification as a near-hull material suggests that it is thermodynamically accessible, making it a subject of interest for researchers exploring high-density hydrogen storage media.

This compound plays a specific role in the broader landscape of boranes and complex hydrides. By leveraging its unique structural properties, scientists investigate its potential to release hydrogen under controlled conditions, which is essential for developing next-generation energy storage technologies.

At a glance

Key Properties

Cross-validated computational properties for B3H5, aggregated across 2 databases.

Band Gap

3.74–3.87 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

29
2 databases, 13 space groups
Uses

Applications

Where B3H5 is used.

Hydrogen storage researchChemical energy storageBorane chemistry
Reference

Frequently Asked Questions

Common questions about B3H5, answered from cross-validated data.

What is B3H5?

B3H5 is a boron-hydrogen compound being investigated as a potential medium for chemical hydrogen storage.

More questions
What is B3H5 used for?
B3H5 is used in hydrogen storage research, chemical energy storage, and borane chemistry.
What is the band gap of B3H5?
B3H5 has a DFT-computed band gap of 3.74–3.87 eV across 29 reported structures.
Is B3H5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.87 eV it is an insulator / wide-band-gap material.
Is B3H5 thermodynamically stable?
B3H5 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
How many polymorphs of B3H5 are known?
29 structures of B3H5 are reported across 2 databases, spanning 13 distinct space groups.
What elements does B3H5 contain?
B3H5 contains B and H (2 elements).
Where does the data for B3H5 come from?
B3H5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Unlike the more conventional, ionic metal hydrides such as LiH or CaH2, B3H5 belongs to the covalent borane family. While simple hydrides like MgH2 are often studied for their bulk storage capacity, B3H5 offers a different structural complexity that distinguishes it from the simpler BH3 units, positioning it as a specialized candidate for targeted hydrogen delivery applications.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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