Researchers List Laboratories & Researchers

Hao LiPrincipal Investigator, Ph.D.

Research Interests

• Catalysis and materials theory
• Data science for materials design
• Computational methodology development based upon artificial intelligence
• "e-Refinery” for sustainable production

Related Information

• 07/14/2025 Press Releases New Insights into Pd and Pt Catalyst Surface Reconstruction and Reaction Selectivity
• 07/04/2025 Press Releases Machine Learning Potential-Driven Insights into pH-Dependent CO2 Reduction
• 07/02/2025 Press Releases Data-Driven Strategies to Advance Methane Pyrolysis Catalysts
• 06/05/2025 Press Releases A Fresh New Way to Produce Freshwater: Sonicated Carbon Nanotube Catalysts
• 06/02/2025 Press Releases New Hydrogenation Reaction Mechanism for Superhydride Revealed by Machine Learning
• 05/30/2025 Press Releases Single-Atom Catalysts Change Spin State When Boosted by a Magnetic Field
• 05/29/2025 Press Releases Digital Discovery Unlocks Durable Catalyst for Acidic Water Splitting
• 05/21/2025 Press Releases Data-Driven Approach Identifies Promising CO2 Conversion Catalysts
• 05/15/2025 Press Releases New Dual-Atom Catalyst Boosts Performance of Zinc-Air Batteries for Real-World Applications
• 05/08/2025 Press Releases Advancing Electrocatalyst Discovery Through the Lens of Data Science
• 04/30/2025 Press Releases How Can We Optimize Solid-State Batteries? Try Asking AI
• 04/28/2025 Research Highlights Carbon Nanomaterials: Machine learning unveils carbon growth mechanism
• 04/25/2025 Press Releases Affordable Hydrogen Fuel Production Using Surface Reconstruction Strategy
• 04/23/2025 Press Releases New Porous Crystal Catalyst Offers Durable, Efficient Solution for Clean Hydrogen Production
• 04/17/2025 Press Releases A New Take on the Abilities of Hydrogen Binding Energy for Use in Single Atom Catalysts
• 04/08/2025 Press Releases Turning Pollution into Fuel with Record-Breaking CO2-to-CO Conversion Rates
• 03/11/2025 Press Releases Gd-Induced Oxygen Vacancy Activates Lattice Oxygen Oxidation for Water Electrolysis
• 03/10/2025 Press Releases Rational Design of Precatalysts for Efficient Hydrogen Production
• 02/26/2025 Press Releases Researchers Uncover Key Insights into CO2 Reduction Using SnO-Based Electrocatalysts
• 02/19/2025 Press Releases A Breakthrough in Hydrogen Catalysis: Electronic Fine-Tuning Unlocks Superior Performance
• 02/18/2025 Press Releases Why Weak-Binding M–N–C Catalysts Defy Expectations in Oxygen Reduction Reactions
• 02/17/2025 Press Releases Using a Data-Driven Approach to Synthesize Single-Atom Catalysts That Can Purify Water
• 02/14/2025 Press Releases Breakthrough Catalyst Boosts Green Hydrogen Production with Enhanced OER Efficiency and Stability
• 01/15/2025 Press Releases Researchers Unlock New Insights into Tin-Based Catalysts for Electrochemical CO2 Reduction
• 11/20/2024 Press Releases Analyzing the Structure-Performance Relationships of Electrocatalysts
• 11/15/2024 Press Releases Novel Magnetic Field Integration Enhances Green Hydrogen Peroxide Production
• 11/13/2024 Press Releases New Platinum-Nickel Core-Shell Catalyst Shows Stability for Oxygen Reduction Reactions
• 09/13/2024 Press Releases Erbium Doping Enhances the Oxygen Evolution Performance of Cobalt Oxide in Acidic Medium
• 09/11/2024 Press Releases Chromium Doping Enhances Catalyst Performance for Faster Oxygen Evolution
• 09/11/2024 Press Releases The Mechanisms Behind Cobalt X-ide Electrocatalysts
• 09/02/2024 Press Releases Innovative Copper-Based Catalyst Paves the Way for Sustainable Ammonia Production
• 08/28/2024 Press Releases Rare Earth Single Atoms Enhance Manganese Oxide’s Electrochemical Oxygen Evolution
• 08/27/2024 Press Releases Insights into Spinel Cobalt Oxides May Lead to Efficient Ammonia Synthesis
• 05/22/2024 Press Releases Machine Learning Accelerates Discovery of High-Performance Metal Oxide Catalysts
• 05/16/2024 Press Releases New Data-Driven Model Rapidly Predicts Dehydrogenation Barriers in Solid-State Materials
• 05/15/2024 Press Releases Researchers Unlock Vital Insights into Metal–Nitrogen–Carbon Catalysts’ Reaction Mechanism
• 03/28/2024 Press Releases Benchmarking Theory with Experiments for Oxygen Reduction Catalysts
• 03/25/2024 Press Releases Rectifying AI’s Usage in the Quest for Thermoelectric Materials
• 03/22/2024 Press Releases Electrocatalytic Ammonia Synthesis: Towards an Environmentally Means of Producing Ammonia
• 03/07/2024 Press Releases Deciphering Catalysts: Unveiling Structure-Activity Correlations
• 02/22/2024 Seminars & Symposium [3/5] Online Workshop “2024 DTU-AIMR Catalyst Workshop: Catalyst Design for a Greener Tomorrow”
• 02/21/2024 Press Releases Unraveling the pH-Dependent Oxygen Reduction Performance on Single-Atom Catalysts
• 02/01/2024 Press Releases Machine Learning Guides Carbon Nanotechnology
• 01/31/2024 Press Releases Machine Learning Accelerates the Chase for Safer, Better Batteries
• 12/21/2023 Press Releases An Integrated Approach to Discovering Stable and Low Cost Electrocatalysts
• 12/15/2023 Press Releases New Strategy Improves Perovskites’ Oxygen Reduction Performance in Hydrogen Fuel Cell
• 11/27/2023 Research Highlights Electrochemical catalysis: Adapting a thermochemical process to the electrochemical realm
• 09/21/2023 Press Releases Researchers Reveal the Origins of Zirconium Nitride’s Superior Performance
• 08/24/2023 Press Releases Researchers Develop Framework to Guide Electrolyte Design for Advanced Batteries
• 07/26/2023 Press Releases Researchers Identify the Bottleneck of Dual-Atom Catalysts for CO2 Reduction
• 06/19/2023 Press Releases Theory’s Predictive Power: Creating Effective and Low-Cost Rare-earth Element based Catalysts
• 06/12/2023 Research Highlights Single-atom catalysis: Scouting the paths of Hg⁰ oxidation
• 02/02/2023 Press Releases The Power of Theory: Finding an Efficient Electrocatalyst for Hydrogen Peroxide Synthesis
• 01/13/2023 Press Releases Theoretical Computations Identify a Solid-State Hydrogen Storage Material’s Key Bottleneck