# US 2025/0096263 A1 · Method of preparing graphene-based zinc single atom catalyst for electrocatalysis in lithum oxygen batteries

> Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt

- Number: US 2025/0096263 A1
- Document ID: US20250096263A1
- Status: Published application
- Kind: A1
- Application number: 18/466,836
- Filed: 2023-09-14
- Published: 2025-03-20
- Earliest claimed: 2023-09-14
- Assignees: The Hong Kong University of Science and Technology
- Applicants: The Hong Kong University of Science and Technology
- Inventors: ZHENGTANG LUO; HOI LUN WONG
- Web page: https://patentgrep.com/patent/US20250096263A1

## CPC

- H01M 4/583: Carbonaceous material, e.g. graphite-intercalation compounds or CFx
- H01M 4/0404: {by coating on electrode collectors}
- H01M 10/052: Li-accumulators
- H01M 10/0568: characterised by the solutes
- H01M 10/0569: characterised by the solvents
- H01M 12/06: with one metallic and one gaseous electrode
- H01M 12/08: composed of a half-cell of a fuel-cell type and a half-cell of the secondary-cell type
- H01M 2300/0028: characterised by the solvent
- H01M: PROCESSES OR MEANS, e.g. BATTERIES, FOR THE DIRECT CONVERSION OF CHEMICAL ENERGY INTO ELECTRICAL ENERGY

## Abstract

Single atom catalysts (SACs) are efficient electrocatalysts for catalyzing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in lithium-oxygen batteries (LOBs). Our method is to study the origin of reactivity for a series of 17 transition metals supported on nitrogen-doped graphene, denoted SACs using Quantum Mechanics methods. Based on Gibbs free energy calculations, Zn-SAC performs the highest electrochemical activity among 17 SACs investigated. Machine learning (ML) is developed an intrinsic descriptor Φ, that correlates the catalytic activity with electronic and chemical properties of the catalytic centers at the M-N4 active site on graphene surface. A linear relationship between Φ and the catalytic activity that provides guidance for designing efficient SACs for electrocatalysis in LOBs. Zn-SAC is synthesized through chemical vapor deposition (CVD) process, which shows more stable cyclability and exhibits smaller reaction overpotentials, verifying the simulation results.

## Claims

### Claim 1

A method of preparing a graphene-based zinc single atom catalyst, comprising:
preparing graphene oxide (GO) by a modified Hummers method and dispersing the 2 mL of 5 mg mL−1 GO in 30 ml of deionized (DI) water to obtain GO solution; then sonicate the GO solution for 2 hours. 20 μL of 0.05 M Zn2+ solution from ZnCl2·6H2O and 100 μL of acrylamides, as nitrogen precursors, were added into the diluted GO suspension and stirred for 24 h. The solution mixture was then frozen rapidly, followed by freeze drying to obtain a brownish dried sample; annealing the dried sample at 750° C. for 1 hour under 200 sccm Ar gas to produce Zn-SAC. Acid treatment was performed to leach out the extra metal loading from Zn-SAC at 80° C. for 24 hours, followed by DI water washing, freeze drying and heating at 750° C. for 1 hour.

### Claim 2

A lithium oxygen battery, comprising:
a lithium anode;
a Zn-SAC coated on a carbon paper cathode;
a glass fiber as a separator; and
the organic electrolyte of 1 M LiTFSI/TEGDME;
wherein the battery is kept in the container purged with ultra-pure O2.

### Claim 3 (depends on 2)

The lithium oxygen battery of claim 2, wherein the cathode of Zn-SAC on carbon paper is constructed with zinc single atom catalyst with graphene support coated on a carbon paper; 90% catalytic Zn-SAC layer with graphene support is a powder and then mixed with 10% binder, then alcohol solvent is added and stirred together to obtain a uniform slurry to coat on a carbon paper.

### Claim 4 (depends on 2)

The lithium oxygen battery of claim 2, wherein the separator is glass fiber with a thickness of 420 μm, a diameter of the separator is about 19 mm.

### Claim 5 (depends on 2)

The lithium oxygen battery of claim 2, the electrolyte is composed of 1 M LiTFSI/TEGDME.