Picocrystalline Borane Compositions for Silicon-Compatible Artificial Atoms

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Solution Overview

Problem

Current boron-rich solids have limitations due to broken icosahedral symmetry, making them unsuitable for integration with monocrystalline silicon, and they lack the electronic properties comparable to graphene, which hinders practical applications.

Innovation Solution

A novel class of self-assembled boron-rich compositions, specifically picocrystalline oxysilaboranes, are formed using boron, silicon, hydrogen, and optionally oxygen, with a formula (B12H4)xSiyyOz, that exhibit preserved icosahedral symmetry and unique electrical properties, allowing integration with monocrystalline silicon through self-assembly and vapor deposition.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Adaptability or versatility

If conventional boron-rich solids are used, then boron chemistry can be explored, but icosahedral symmetry is broken and they cannot be integrated with monocrystalline silicon

Engineering Contradiction:
Improveintegration compatibility with monocrystalline siliconVSAvoidicosahedral symmetry preservation
Core Design Contradiction:
Adaptability or versatilityVSStability of the object's composition

Solution Approach 1:

The patent creates a composite material system combining boron icosahedra with silicon atoms in a specific stoichiometric ratio (B12Si5H4)3. This composite structure allows the boron icosahedra to maintain their symmetric configuration while integrating with silicon, resolving the contradiction between symmetry preservation and integration compatibility.

Inventive Principle:
Principle #40Composite materials

Solution Approach 2:

The invention introduces hydrogen atoms at specific local positions around the boron icosahedra and silicon atoms, creating localized bonding regions that stabilize the icosahedral symmetry while enabling integration with monocrystalline silicon. The hydrogen atoms act as local mediators that satisfy bonding requirements without disrupting the global icosahedral symmetry.

Inventive Principle:
Principle #3Local quality

2Reliability

If known boron-rich solids are used, then boron compounds can be formed, but they lack electronic properties comparable to graphene

Engineering Contradiction:
Improveelectronic properties comparable to grapheneVSAvoidstructural complexity of boron compounds
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent changes key structural parameters by forming boron icosahedra with exactly 12 boron atoms in a regular icosahedral configuration, coordinated with specific numbers of silicon and hydrogen atoms. This parameter optimization creates electronic properties similar to graphene while maintaining manageable structural complexity through well-defined stoichiometry.

Inventive Principle:
Principle #35Parameter changes

3Reliability

If boron icosahedra are formed with high symmetry, then electronic properties improve, but conventional two-center bonds cannot exist along icosahedral edges

Engineering Contradiction:
Improveelectronic propertiesVSAvoidbonding capability
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

The patent introduces hydrogen atoms as intermediary elements that form two-center bonds with boron atoms at the vertices of the icosahedron. These hydrogen mediators enable conventional two-center bonding while preserving the high symmetry of the boron icosahedral core, thus resolving the contradiction between symmetry and bonding capability.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The invention extracts the bonding function from the icosahedral edges themselves and relocates it to hydrogen atoms positioned at the vertices. This separation allows the boron icosahedron to maintain its high-symmetry electronic structure while hydrogen atoms provide the necessary two-center bonding connections.

Inventive Principle:
Principle #2Taking out (Extraction)

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 demonstrate short-range and long-range order, forming artificial atoms that are compatible with monocrystalline silicon, enabling the creation of advanced semiconductor structures with improved electrical properties and compatibility with standard manufacturing techniques.

Implementation Method 1

boron atoms tend to form three-center chemical bonds such that two valence electrons bond three boron atoms, with the peak electron density being in the center of the triangle comprised by three boron atoms

Methodology Applied
Scientific EffectThree-center bonding: Chemical Bonding

Implementation Method 2

The compositions can be formed by vapor deposition on a substrate

Methodology Applied
Scientific EffectVapor deposition: Physical Vapour Deposition

Data Source

PatentEP3548433B1Composition of picocrystalline artificial borane atoms
Publication Date: 2024.06.12 SEMINUCLEAR INC
  • EP3548433B1 patent drawingFigure 1
  • EP3548433B1 patent drawingFigure 2
  • EP3548433B1 patent drawingFigure 3

AI summary

Materials containing picocrystalline quantum dots that form artificial atoms are disclosed. The picocrystalline quantum dots (in the form of boron icosahedra with a nearly- symmetrical nuclear configuration) can replace corner silicon atoms in a structure that demonstrates both short range and long-range order as determined by x-ray diffraction of actual samples. A novel class of boron-rich compositions that self-assemble from boron, silicon, hydrogen and, optionally, oxygen is also disclosed. The preferred stoichiometric range for the compositions is (B12Hw)x Siy Oz with 3 ≤ w ≤ 5, 2 ≤ x ≤ 4, 2 ≤ y ≤ 5 and 0 ≤ z ≤ 3. By varying oxygen content and the presence or absence of a significant impurity such as gold, unique electrical devices can be constructed that improve upon and are compatible with current semiconductor technology.