Ternary Boride Hydrogen Storage Materials

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Solution Overview

Problem

Conventional hydrogen storage systems based on boron compounds face challenges such as slow hydrogen exchange rates, phase segregation, and energy barriers due to directional chemical bonds and high boron valency, limiting their practical application.

Innovation Solution

The development of mixed-metal ternary boride/borohydride hydrogen storage materials, comprising metals like Li, Na, K, Mg, and transition metals like Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, which form isomorphic crystalline structures that suppress phase segregation and facilitate faster hydrogen cycling by tuning thermodynamic properties and maintaining single-phase materials.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Quantity of substance

If conventional boron-based hydrogen storage materials are used, then high hydrogen storage density can be achieved, but slow hydrogen exchange rates occur due to extensive boron-boron atom rearrangements and high energy barriers

Engineering Contradiction:
Improvehydrogen storage densityVSAvoidhydrogen exchange rate
Core Design Contradiction:
Quantity of substanceVSProductivity

Solution Approach 1:

The patent changes the chemical composition parameters by introducing transition metal elements (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) to replace部分boron atoms, thereby modifying the bonding characteristics and reducing the activation energy for hydrogen exchange while maintaining high hydrogen storage density

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates composite materials by combining boron with transition metal elements to form ternary compounds (e.g., Li-Ti-B, Na-V-B, K-Cr-B systems), where the synergistic effects of different elements improve both hydrogen storage capacity and exchange kinetics

Inventive Principle:
Principle #40Composite materials

2Quantity of substance

If high valence boron compounds are used to increase hydrogen density, then more hydrogen can be stored, but directional covalent bonds create high energy barriers that slow down hydrogen reaction rates

Engineering Contradiction:
Improvehydrogen storage capacityVSAvoidhydrogen reaction rate
Core Design Contradiction:
Quantity of substanceVSProductivity

Solution Approach 1:

The patent changes the bonding parameter by introducing transition metal elements with different electronegativities and d-orbitals that can form more flexible bonding configurations, reducing the directionality constraint and lowering activation barriers for hydrogen exchange reactions

Inventive Principle:
Principle #35Parameter changes

3Quantity of substance

If bulk metal amides are used for hydrogen storage, then high hydrogen content is achieved, but limited cycle-life and contamination with ammonia gas occur

Engineering Contradiction:
Improvehydrogen contentVSAvoidcycle-life
Core Design Contradiction:
Quantity of substanceVSReliability

Solution Approach 1:

The patent replaces bulk metal amides with ternary boride/borohydride composite materials that combine the advantages of high hydrogen content with improved structural stability and reversibility, eliminating ammonia release and extending cycle life

Inventive Principle:
Principle #40Composite materials

Solution Approach 2:

The patent creates a more chemically stable environment by forming ternary boride/borohydride structures that prevent unwanted side reactions and ammonia evolution, effectively creating an inert chemical environment that enhances cycling stability

Inventive Principle:
Principle #39Inert atmosphere (Inert environment)

4Quantity of substance

If multiple solid phases are formed during hydrogen cycling, then hydrogen storage capacity is maintained, but phase boundaries create energy barriers that slow down hydrogen exchange kinetics

Engineering Contradiction:
Improvehydrogen storage capacityVSAvoidhydrogen exchange kinetics
Core Design Contradiction:
Quantity of substanceVSProductivity

Solution Approach 1:

The patent changes the thermodynamic parameters by introducing transition metal elements that stabilize single-phase structures during hydrogen cycling, eliminating phase boundaries and the associated energy barriers while maintaining high hydrogen storage capacity

Inventive Principle:
Principle #35Parameter changes

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

These materials achieve high hydrogen storage densities (>11 wt%) with improved kinetics, allowing for efficient hydrogen release and recharge at moderate temperatures and pressures, suitable for transportation and stationary applications.

Implementation Method 1

charging hydrogen to a mixed-metal ternary boride material to form a mixed-metal borohydride structure

Methodology Applied
Scientific EffectHydrogenation: Hydrogenation

Implementation Method 2

discharging hydrogen from the mixed-metal borohydride structure to form the mixed-metal ternary boride

Methodology Applied
Scientific EffectDehydrogenation: Desorption

Implementation Method 3

form isomorphic crystalline structures that suppress phase segregation and facilitate faster hydrogen cycling by tuning thermodynamic properties and maintaining single-phase materials

Methodology Applied
Scientific EffectSolid solution:

Implementation Method 4

removing excess solvent and liquid by-products by drying and applying a vacuum

Methodology Applied
Scientific EffectEvaporation: Evaporation

Implementation Method 5

removing excess solvent and liquid by-products by drying and applying a vacuum

Methodology Applied
Scientific EffectVacuum: Vacuum

Data Source

PatentUS11192783B1Ternary borides and borohydrides for hydrogen storage and method of synthesis
Publication Date: 2021.12.07 NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA LLC
  • US11192783B1 patent drawing
  • US11192783B1 patent drawing
  • US11192783B1 patent drawing

AI summary

A method and a system is provided for obtaining solid-state hydrogen storage and release in materials with at least theoretical loaded hydrogen densities of 11 wt % or greater that can deliver hydrogen and be recharged at moderate temperatures enabling incorporation into hydrogen storage systems suitable for transportation applications. These materials comprise ternary boride materials comprising certain light transition metals and alkaline or alkaline earth metals, and ideally have no or very little phase separation. A process of making these materials is also provided.