Lithium-Rich Cathode Material with Non-Rocksalt Layered Structure

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Solution Overview

Problem

Existing lithium-rich composite oxides based on the rocksalt-type structure suffer from unstable anion reactions and limited electrochemical reversibility, leading to structural instability and reduced energy capacity in lithium secondary batteries.

Innovation Solution

A positive electrode active material with a non-rocksalt-type structure is developed, featuring excess lithium present in both tetrahedral and octahedral sites to achieve charge balance while allowing for inappropriate site balance, forming a new stable un-hybridized oxygen state and suppressing irreversible structural changes.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Quantity of substance

If lithium-rich composite oxide with rocksalt-type structure is used to achieve high capacity energy, then energy capacity is improved, but structural stability deteriorates leading to phase collapse and limited electrochemical reversibility

Engineering Contradiction:
Improveenergy capacityVSAvoidstructural stability
Core Design Contradiction:
Quantity of substanceVSStability of the object's composition

Solution Approach 1:

The patent changes the fundamental structural parameter from rocksalt-type to non-rocksalt-type layered structure, while maintaining lithium-rich composition (Li1+xM1−xO2 where x>0). This parameter change in crystal structure prevents the phase collapse that occurs in rocksalt-type materials when lithium is deintercalated, thereby maintaining structural stability while achieving high energy capacity through both transition metal and oxygen redox reactions.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent uses composite oxide materials with multiple transition metals (e.g., Li1.2Ni0.13Mn0.54Co0.13O2) combining different metal elements to achieve synergistic effects. The composite structure provides both high capacity through multi-metal redox and enhanced structural stability, while the non-rocksalt layered configuration prevents phase transformation and maintains electrochemical reversibility.

Inventive Principle:
Principle #40Composite materials

2Quantity of substance

If excess lithium is added to achieve charge balance and high capacity, then energy capacity is improved, but site balance becomes inappropriate leading to unstable anion reactions

Engineering Contradiction:
Improveenergy capacityVSAvoidanion reaction stability
Core Design Contradiction:
Quantity of substanceVSReliability

Solution Approach 1:

The patent changes the structural parameter from rocksalt-type to non-rocksalt layered structure, which fundamentally alters the oxygen environment. In the non-rocksalt layered structure, oxygen ions are stabilized in a different coordination environment that prevents unstable anion reactions even when excess lithium (x>0) is present for charge balance, thereby maintaining both high capacity and anion reaction stability.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates a specific local structure around oxygen ions in the non-rocksalt layered configuration, where oxygen is coordinated in a stable environment distinct from the rocksalt structure. This local structural quality around oxygen prevents anion reaction instability while allowing excess lithium to be incorporated for charge balance and high capacity energy storage.

Inventive Principle:
Principle #3Local quality

3Quantity of substance

If lithium is deintercalated to increase energy capacity, then capacity is improved, but irreversible structural change occurs reducing electrochemical reversibility

Engineering Contradiction:
Improveenergy capacityVSAvoidelectrochemical reversibility
Core Design Contradiction:
Quantity of substanceVSStability of the object's composition

Solution Approach 1:

The patent changes the crystal structure parameter from rocksalt-type to non-rocksalt layered structure, which fundamentally prevents the phase collapse that occurs during lithium deintercalation. The non-rocksalt layered structure maintains structural integrity even when lithium is removed, enabling reversible lithium insertion/extraction and maintaining high electrochemical reversibility while achieving increased energy capacity.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The non-rocksalt layered structure acts as a pre-established stable framework that cushions against structural collapse during lithium deintercalation. This prior structural configuration prevents irreversible phase changes before they can occur, allowing repeated lithium insertion and extraction cycles while maintaining capacity and structural stability.

Inventive Principle:
Principle #11Beforehand cushioning (Prior cushioning)

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

The non-rocksalt-type structure enhances electrochemical performance and energy capacity by stabilizing anion reactions, reducing voltage and capacity loss, and improving cycle stability compared to traditional rocksalt-type structures.

Implementation Method 1

forming a new stable un-hybridized oxygen state and suppressing irreversible structural changes

Methodology Applied
Scientific EffectStructural stabilization:

Implementation Method 2

Materials having such a structure mainly undergo a transition metal-based oxidation/reduction reaction, in which electrons are supplied by a 3d transition metal when lithium is intercalated/deintercalated

Methodology Applied
Scientific EffectOxidation/reduction reaction: Redox Reactions

Implementation Method 3

preparing a mixture by mixing a plurality of metal precursors; primarily sintering the mixture by heating at a first temperature range

Methodology Applied
Scientific EffectSintering: Sintering

Data Source

PatentUS12573622B2Positive electrode active material for lithium secondary battery and manufacturing method therefor
Publication Date: 2026.03.10 POSTECH ACADEMY INDUSTRY FOUNDATION
  • US12573622B2 patent drawing
  • US12573622B2 patent drawing
  • US12573622B2 patent drawing

AI summary

A positive electrode active material for a lithium secondary battery and a method for manufacturing the same. The positive electrode material, wherein excess lithium is present to be inappropriate for a site balance, has a composition of Li1+x+yM1−yO2 where x is an amount in which the excess lithium enters an tetrahedral site between a lithium layer and a transition metal layer, y is an amount in which the excess lithium enters an octahedral site of the transition metal layer, x and y are values that satisfy the charge balance, 0<x, y<1, and M is at least one selected from Al, Mg, Mn, Ni, Co, Cr, V, Fe, Nb, Mo, Ru, Zr, and Ir, and 3d, 4d, and 5d transition metals except for the listed metals, and a layered non-rocksalt-type structure.