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Nano Materials Simulation & Fabrication Lab
Research
Advanced Electrochemical Energy Storage and Conversion
Electrochemical systems are evolving toward achieving both high energy density and rapid charge–discharge capability to support applications ranging from portable electronics to grid-scale storage. Recent studies explore dual-carbon and hybrid electrode architectures, combining porous graphitic carbons with metal sulfides or oxides to improve reaction kinetics and cycling stability.
We aim to design next-generation electrode materials that bridge the gap between high energy and high power performance in practical energy storage systems. Among various storage platforms, metal–air batteries such as Zn–air systems attract increasing interest for their high theoretical energy density and safety. Our research focuses on the rational design of bifunctional electrocatalysts and engineered interfaces to enhance oxygen reaction kinetics and durability in metal–air batteries.
Computational and Data-Driven Materials Design
Emerging computational strategies are transforming the way materials for energy and catalysis are discovered and optimized. By integrating density functional theory (DFT), machine learning, and high-throughput screening with experimental validation, researchers are addressing challenges such as reaction mechanism elucidation, overpotential mapping, and multicomponent alloy optimization. This trend represents a shift toward predictive, data-efficient frameworks capable of accelerating materials innovation across energy-related fields.
Our group leverages AI-guided simulations to accelerate the rational discovery of high-performance materials in complex chemical spaces.
Catalysis for Green Chemical Production and Fuel Generation
Sustainable pathways for producing key chemicals such as ammonia, hydrogen, and hydrogen peroxide are drawing increasing interest as alternatives to fossil-fuel-based processes. Recent research focuses on electrocatalytic nitrate reduction and photocatalytic oxygen reduction, utilizing earth-abundant materials and phase-engineered catalysts to enhance selectivity, energy efficiency, and reaction site specificity. This area reflects the global demand for decentralized, safe, and eco-friendly production of energy carriers and industrial chemicals. Our research explores novel catalytic platforms for enabling scalable and environmentally responsible chemical synthesis.
Hierarchical Carbon Architectures for High-Rate Electrodes
Three-dimensional porous carbons with tailored micro-/mesoporosity and controlled doping have emerged as effective materials for enhancing ion/electron transport in energy devices. Advances involve metal–organic framework (MOF)-derived carbon networks and compositional tuning with nitrogen, oxygen, or sulfur functionalities to improve surface accessibility and electrical conductivity. These architectures are particularly relevant for hybrid capacitors and sodium-ion systems, where high power density and long cycle life are required. We develop carbon-based nanostructures that synergistically integrate high conductivity, fast ion transport, and robust electrochemical stability.
Artificial Photosynthesis for Solar-to-Fuel Conversion
Artificial photosynthesis aims to utilize solar energy to convert carbon dioxide and water into value-added fuels such as methane, methanol, and hydrogen. This approach offers a sustainable path for carbon-neutral fuel generation while simultaneously addressing global carbon emissions. Recent efforts focus on developing photocatalysts with visible-light activity and reaction-site selectivity to enhance solar-to-chemical energy conversion. Our work in this area contributes to the realization of a sustainable carbon cycle through the design of semiconductor-based photocatalysts for water oxidation, CO₂ reduction, and pollutant degradation.
