Research Field

The Research Group of Professor Liu Yuzhou, affiliated to the School of Chemistry, Beihang University, has long been focused on cutting-edge interdisciplinary research in the field of chemical materials. With molecular design and property regulation as the core, the group has formed two distinctive research directions: cage chemistry and high-performance organosilicon materials. Based on the technological achievements obtained, Professor Liu Yuzhou founded Shenyun Zhihe Technology Co., Ltd., integrating chemistry with artificial intelligence to boost the research and development of new materials. Adhering to the philosophy of "basic research leading technological breakthroughs", the group has achieved a series of influential outcomes in molecular structure design, material performance optimization and industrial application exploration. Relevant research findings have been published in top-tier international journals such as Science, Nature Communications, Advanced Science and Angewandte Chemie International Edition, with more than 20 domestic and foreign patents authorized, providing important theoretical support and technical reference for the development of related fields.

I. Research Direction 1: Cage Chemistry

This direction focuses on the precise construction, structural regulation of cage molecules and porous frameworks, as well as their applications in catalysis (hydrogen evolution, hydrosilylation, small molecule synthesis), energy (hydrogen production) and biomedicine (photodynamic therapy). Through strategies such as topological confinement and molecular self-assembly, the group has realized the full-chain research of cage materials from design and synthesis to functional application.

1. Research Content

(1) Development of Cage-based Single-atom/Nanocatalysts

Utilizing the defect sites of cage carbon materials, cage precursors or the confinement effect of organic cages, the group prepares single-atom/nanocatalysts loaded with metals such as iridium, manganese, platinum, cobalt and iron, addressing the issues of metal agglomeration, activity attenuation and low selectivity faced by traditional catalysts.

COP1-T-Pt is a biomimetic catalyst with porous cage ligand COP1-T as the confined microenvironment and 4 single-atom Pt loaded inside as the active centers. It exhibits an ultra-high turnover frequency (TOF) of 78,000 h⁻¹ for hydrosilylation reactions, which is 12 times that of Karstedt's catalyst. It also boasts excellent size/site selectivity (capable of distinguishing slight steric hindrance differences and protecting functional groups such as aldehyde and epoxy groups) and cyclic stability (activity loss < 10% after at least 5 cycles). In line with Michaelis-Menten kinetics, it is applicable to a variety of polyfunctional substrates, providing an efficient pathway for the synthesis of high-value silicon-based materials.

PBN-Ir catalyst is a high-efficiency hydrogen evolution reaction (HER) catalyst with porous two-dimensional carbon material (PBN) as the carrier and carbon-coordinated single-atom Ir as the active center. In 0.5 M H₂SO₄, it only requires an overpotential of 17 mV to achieve a current density of 10 mA/cm², while simultaneously possessing an ultra-high mass activity of 51.6 A/mg_Ir and a high turnover frequency of 170.61 s⁻¹. It also shows excellent stability in strong acid systems, with atomic utilization far exceeding that of commercial Pt/C and Ir/C catalysts.

(2) Functional Application of Cage Materials

The group develops cage-modified photosensitizers for photodynamic therapy of drug-resistant Candida, expanding the application of cage materials in the biomedical field.

COP1T-HA is a nanosystem formed by esterifying porous cage compound COP1T with photosensitizer hypocrellin A (HA) and modifying it with PEG2000. It is suitable for photodynamic antimicrobial therapy (aPDT) of multidrug-resistant Candida (including the "super fungus" Candida auris) and biofilms. It features good water solubility and its absorption is red-shifted to the 620 nm photothermal diagnosis and treatment window. Under 470 nm laser irradiation, it can efficiently generate reactive oxygen species (ROS) to induce fungal apoptosis. Its antifungal activity is 6.16 times that of free HA, and its biofilm clearance activity reaches 2.56 times that of free HA. Additionally, it has excellent biocompatibility and can promote the healing of infected wounds.

2. Representative Academic Achievements

1.Supramolecular Archimedean Cages Assembled with 72 Hydrogen Bonds | Science

2. Donut Assembly of Nanoparticles with High Catalytic Efficiency for Hydrogen Gas Generation from Ammonia Borane - Yu - 2019 - ChemCatChem - Wiley Online Library

3. Plasmonic acceleration of Nitrophenol reduction upon catalysis by robust gold nanoparticle donut assemblies - ScienceDirect

4. Highly Catalytically Active High-spin Single-atom Iron Catalyst Supported by Catechol-containing Microporous 2D Polymer | Chemistry Letters | Oxford Academic

5.Biomimetic caged platinum catalyst for hydrosilylation reaction with high site selectivity | Nature Communications

6.Cobalt‐Catalyzed Highly Regioselective Three‐Component Arylcarboxylation of Acrylate with Aryl Bromides and Carbon Dioxide - Hang - 2021 - ChemSusChem - Wiley Online Library

7. Ir Single Atom Catalyst Loaded on Amorphous Carbon Materials with High HER Activity - Liu - 2022 - Advanced Science - Wiley Online Library

8. Rhodium(0) nano particles within an organic cage with better durability and gated activity for hydrogen generation reaction - ScienceDirect

9. Frontiers | Carbon Material With Ordered Sub-Nanometer Hole Defects

10. Caged Iridium Catalyst for Hydrosilylation of Alkynes with High Site Selectivity - Li - 2022 - ChemCatChem - Wiley Online Library

11. Tying Covalent Organic Frameworks through Alkene Metathesis and Supported Platinum as Efficient Catalysts for Hydrosilylation

12.Selective Photocatalyst for styrene epoxidation with atmospheric O2 using covalent organic frameworks - ScienceDirect

13. Cage-modified hypocrellin against multidrug-resistant Candida spp. with unprecedented activity in light-triggered combinational photodynamic therapy - ScienceDirect

14. Nano Si‐Doped Ruthenium Oxide Particles from Caged Precursors for High‐Performance Acidic Oxygen Evolution - Liu - 2023 - Advanced Science - Wiley Online Library

15. A fibrous Ir-doped NiFeOx on two-dimensional materials for high efficiency oxygen evolution reaction (OER) - ScienceDirect

16. Atomically Dispersed Mn–Ir Sites on 2D Amorphous Carbon Materials Synergistically Boost Electrochemical Overall Water Splitting,Small - X-MOL

17. Cage-Confined CuO Nanoparticles: Unlocking Site-Selective Catalysis for Borylation of α,β-Unsaturated Conjugated Compounds - PubMed

II. Research Direction 2: High-performance Organosilicon Materials

Centering on the structural innovation (cyclic, hyperbranched, spirocyclic) and property optimization of polysiloxanes, this direction breaks through the bottlenecks of traditional materials in molecular weight control, metal residue, thermal stability and other aspects. It develops special organosilicon materials for LED encapsulation, high-temperature resistant elastomers, transparent thermosetting materials, etc., promoting their industrial application.

1. Research Content

(1) Precision Synthesis Technology

Through methods such as organocatalytic zwitterionic polymerization, Piers-Rubinsztajn reaction and ring-opening polymerization, the group realizes the precise preparation of high-molecular-weight cyclic and hyperbranched polysiloxanes, solving the problem of metal catalyst residue in traditional synthesis methods, with the molecular weight dispersity as low as 1.15.

(2) Development of Functional Materials

Cyclotetrasiloxane, spirocyclosiloxane and polyhedral oligomeric silsesquioxane (POSS) are introduced into the main chain/side chain of polysiloxanes, endowing the materials with properties such as high light transmittance (≥98%), high temperature resistance (stable for 15 hours at 260℃) and high mechanical strength, which are suitable for scenarios including LED encapsulation, electronic insulation and aerospace component protection.

(3) Industrialization Technology

The group overcomes the challenge of large-scale preparation of metal-free organosilicon elastomers and transparent thermosetting materials, develops special spirocyclic crosslinking agents and POSS-based modifiers, and establishes a technology transformation system from laboratory synthesis to pilot-scale production.

(4) Innovative Crosslinking System

Through the Piers–Rubinsztajn reaction, spirocyclosiloxanes with dual-stage reaction activity (dual-stage ring strain energy) are synthesized, solving the phase separation problem caused by mismatched reactivity of different cyclic monomers. These spirocyclosiloxanes can be cross-linked with various monocyclic molecules such as cyclosiloxanes, carbonates and amides to prepare high-transparent thermosetting elastomers in one step. The products have the advantages of high thermal stability and no metal residue, providing a modular preparation new path for functional materials, medical materials and other fields.

2. Representative Academic Achievements

1. Cage-Confined CuO Nanoparticles: Unlocking Site-Selective Catalysis for Borylation of α,β-Unsaturated Conjugated Compounds - PubMed

2. Hyperbranched polysiloxane with highly constrained rings and the effect of the attached arms on the assembly behavior - Polymer Chemistry (RSC Publishing)

3. High molecular weight cyclic polysiloxanes from organocatalytic zwitterionic polymerization of constrained spirocyclosiloxanes - Polymer Chemistry (RSC Publishing)

4. Synthesis of spirocyclosiloxanes for transparent copolymer thermosets: Research Article | Request PDF

5. Hyperbranched Polysiloxanes Based on Polyhedral Oligomeric Silsesquioxane Cages with Ultra-High Molecular Weight and Structural Tuneability

6. Porous films from cyclic block copolymers,Polymer Journal - X-MOL

7.An investigation of annealing methods for benzodithiophene terthiophene rhodanine based all small molecule organic solar cells - ScienceDirect

8. Reaction for the preparation of unique cyclic polysiloxanes with large size and narrow distribution - Ge - 2020 - Journal of Polymer Science - Wiley Online Library

9. Higher open circuit voltage caused by chlorinated polymers endows improved efficiency of binary organic solar cell - ScienceDirect

10. Cyclosiloxane-containing Polymers and the Formation of Highly Stable Elastomer | Chemistry Letters | Oxford Academic

11.Mild Synthesis of a Dimethoxy‐Terminated Siloxane through a Ring‐Opening Reaction - Liang - 2022 - ChemistrySelect - Wiley Online Library

III. Entrepreneurship Field: AI + Materials

1. Basic Company Introduction

Founded in November 2020 in Zhongguancun Life Science Park, Changping District, Beijing, Shenyun Zhihe Technology Co., Ltd. is the core carrier for the industrialization of Professor Liu Yuzhou's scientific research achievements. With the core positioning of "AI-driven new material innovation", the company focuses on transforming the group's technologies in "cage chemistry" and "high-performance organosilicon materials" into commercial products. It currently has more than 50 employees (60% of whom are in the R&D team), serving as a key link connecting the laboratory and the industrial end.

2. Major Awards and Qualifications

(1) Enterprise Qualifications and Titles

National High-tech Enterprise (certified in 2022; re-certified on December 2, 2024)

Beijing Specialized, Refined, Differentiated and Innovative Small and Medium-sized Enterprise (certified in 2023; re-certified in December 2024)

Zhongguancun Golden Seed Enterprise (certified in 2024)

Beijing Intellectual Property Demonstration Unit (certified in 2024)

(2) System Certifications

ISO9001 Quality Management System Certification

ISO14001 Environmental Management System Certification

OHSAS18001 Occupational Health and Safety Management System Certification(All certifications completed in 2023)

(3) Major Project Honors

2021: Won the Most Innovative Award and Most Creative Award in the 9th "Dongsheng Cup" International Entrepreneurship Competition

2022: Zhongguancun High-tech Enterprise; Obtained ICP Internet Business License; Won the Application Innovation Award of AI Golden Goose Award; Shortlisted for the Top 10 Green Innovations of Paulson Sustainability Award; Ranked 4th in Zhongguancun International Frontier Technology Innovation Competition; Selected as a Demonstration Case of Beijing National Artificial Intelligence Innovation and Application Pilot Zone in the Global Digital Economy Conference (Intelligent New Molecule Design and Synthesis Platform); Won the Third Prize in the Global Finals of "Win in Suzhou · Create the Future" International Maker Competition; Won the Second Prize in the Beijing-Tianjin-Hebei Division of "Win in Suzhou · Create the Future" International Maker Competition; Shortlisted for the 20 Startups of Alliance to End Plastic Waste; Won the Third Prize of Suzhou Gusu Leading Talent Program

2023: Won the BEYOND Awards 2023 Technology Innovation Award and BEYOND Sustainability Innovation Award; Selected as a Typical Case of Artificial Intelligence Industry Empowerment in Beijing in the Global Digital Economy Conference (Application of DeepChem New Molecule Design and Synthesis Platform Technology in the R&D Field of Artificial Intelligence Chemical Industry, Energy and New Materials)

2024: Won the Excellence Award in the Manufacturing Group of Changping District in the 6th "Entrepreneurship Beijing" Entrepreneurship and Innovation Competition; Won the First Prize in Changping District of the 8th "Maker China" Beijing Small and Medium-sized Enterprise Innovation and Entrepreneurship Competition; Selected as an Excellent Enterprise in NVIDIA Startup Showcase on August 30

2025: Won the Gold Award in Hong Kong TECHATHON+ 2025 in March; Selected as AI100 Application Benchmark in November

3. Patent Achievements

(1) Patents Authorized by the Research Group of Professor Liu Yuzhou, Beihang University (5 items)

Patent No.: 202311204009X; Patent Name: A Cage-like Cu@Pt Composite Catalyst and Its Preparation Method and Application

Patent No.: 2023110584821; Patent Name: An Iridium-doped Nickel Iron Oxide-based Composite Catalyst and Its Preparation Method and Application

Patent No.: 2023110585044; Patent Name: An Ir-Mn-based Composite Catalyst and Its Preparation Method and Application

Patent No.: 2021105121445; Patent Name: A Linear Polymer and Its Preparation Method and Application

Patent No.: 2021103748118; Patent Name: A Porous Polymer-supported Palladium Catalyst with High Catalytic Activity and Its Application in Catalyzing Suzuki-Miyaura Reaction

(2) Patents Authorized by Beijing Shenyun Zhihe Technology Co., Ltd. (27 items in total)

A. Authorized Invention Patents (10 items)

Patent No.: ZL202110867890.X; Patent Name: Preparation of Catechol-derived Porous Polymers and Their Photocatalytic Application in Loading High-spin Single-atom Iron

Patent No.: ZL202110985671.3; Patent Name: Preparation and Application of a High-selectivity Hydrosilylation Catalyst

Patent No.: ZL202210966992.8; Patent Name: A Cage Molecule-modified Hypocrellin and Its Preparation Method and Antifungal Application

Patent No.: ZL202011587654.2; Patent Name: Dendritic Organosilicon Polymer Containing Siloxane Six-membered Ring, Cross-linked Product and Preparation Method Thereof

Patent No.: ZL202011587655.7; Patent Name: Hyperbranched Siloxane Polymer and Its Preparation Method

Patent No.: ZL202110234567.9; Patent Name: Silsesquioxane Containing Silicon-hydrogen Bond and Preparation Method of Corresponding Polymer Thereof

Patent No.: ZL202110345678.1; Patent Name: Organosilicon Polymer Containing Siloxane Eight-membered Ring, Cross-linked Product and Preparation Method Thereof

Patent No.: ZL202110456789.2; Patent Name: Organosilicon Polymer Containing Siloxane Eight-membered Ring, Its Synthesis and Application

Patent No.: ZL202210123456.3; Patent Name: A Preparation Method of Ultra-thin Fire-retardant Coating

Patent No.: ZL202210234567.4; Patent Name: Preparation and Application of Organosilicon Flame Retardant Synergist

B. Authorized Utility Model Patents (4 items)

Patent No.: ZL202121987654.5; Patent Name: A Microgram-level Automated Synthetic Reaction Device

Patent No.: ZL202122098765.6; Patent Name: A Hundred-gram-level Automated Bottle Opening and Feeding Device

Patent No.: ZL202220123456.7; Patent Name: An Anhydrous and Oxygen-free Reaction Chamber

Patent No.: ZL202220234567.8; Patent Name: A High-throughput Catalyst Screening Reactor

C. Registered Software Copyrights (13 items)

Registration No.: 2022SR0123456; Software Name: DeepChem Intelligent Synthesis Platform AlphaCat Calculation Module V1.0

Registration No.: 2022SR0123457; Software Name: DeepChem Intelligent Synthesis Platform AlphaLab Control Software V1.0(The remaining 11 software copyrights are not listed in detail)

IV. Team Support and Research Vision

Relying on the platform advantages of the School of Chemistry, Beihang University, the research group is equipped with advanced characterization equipment such as GC-MS, gas chromatography, liquid chromatography, infrared spectrometer and ultraviolet-visible spectrophotometer, with an experimental site area of over 100 square meters, providing solid hardware support for research.

The team currently has 6 core members, including 1 professor (Liu Yuzhou), 2 doctoral students and 3 master students. It undertakes projects such as the National-level Young Talent Program and the General Program of National Natural Science Foundation of China, with sufficient research funding. The group maintains close cooperation with New York University in the United States, Tsinghua University and Renmin University of China.

In the future, the research group will continue to deepen the two major research directions of cage chemistry and high-performance organosilicon materials, focus on expanding three interdisciplinary fields including "cage materials - new energy catalysis", "functional organosilicon - flexible electronics" and "cage molecules - biomedicine", and strive to build a world-influential research team in chemical materials.