Designing Matter, Controlling Molecules, Driving Chemistry

At the Materials Discovery Laboratory (MaD Lab), we design crystalline porous materials and uncover how atomic structure and molecular interactions control function. Our research integrates synthesis, crystallography, spectroscopy, adsorption science, photochemistry, and data-driven discovery across three interconnected thrusts.

01 | MOF Discovery & Structural Transformations

Can we move from serendipitous discovery to predictable materials synthesis?

We discover MOFs with unusual topologies, pore architectures, and chemical functionality and investigate how reaction conditions govern their formation. By studying phase competition, reproducibility, and structural transformations, we seek to understand why a particular crystalline structure forms and how to access or transform it. Increasingly, we combine chemical intuition with high-throughput synthesis, automation, and machine learning to accelerate discovery:

PREDICT → MAKE → MEASURE → LEARN → REDESIGN

Our goal is to establish chemical principles that make MOF discovery predictable, reproducible, and ultimately programmable.

02 | CO2 Capture & Molecular Recognition

Can we engineer pores that selectively recognize CO2 even in the presence of water?

We design ultramicroporous MOFs for CO2 capture from flue gas and ambient air. Rather than focusing simply on surface area, we engineer pore dimensions, functionality, and host–guest interactions to control CO2 binding at the molecular level. A major focus is understanding CO2/H2O competition under realistic humid conditions. We investigate adsorption, molecular diffusion, water-induced degradation, regeneration, and cycling to establish how pore chemistry and transport determine performance. We also integrate MOFs into polymers, surfaces, and composite architectures, translating molecular-level adsorption into durable and processable capture platforms.

PORE STRUCTURE → MOLECULAR RECOGNITION → TRANSPORT → CAPTURE

03 | MOF Photochemistry

Can crystalline frameworks control the fate of photogenerated energy and use it to make and break chemical bonds?

We design photoactive MOFs as programmable reaction environments in which metal nodes, organic linkers, and confined substrates cooperate to direct photochemical transformations. Our research spans photocatalytic H2 evolution, where we investigate charge separation, radical intermediates, and cocatalyst-free proton reduction, and late-stage H/D isotope exchange, where MOFs can function simultaneously as photocatalysts, confined reaction environments, and isotope reservoirs. Using spectroscopy, isotope labeling, radical trapping, and mechanistic experiments, we seek to understand the complete pathway:

LIGHT → CHARGE SEPARATION → REACTIVE INTERMEDIATES → BOND ACTIVATION → PRODUCT

Our goal is to move beyond photocatalytic activity toward molecular design rules for controlling photochemical reactivity and selectivity in crystalline materials.

Together, these thrusts define the MaD Lab philosophy: Discover the structure. Understand the interactions. Control the chemistry.