Chemistry of Energy/Advanced Materials for New Opportunities Dallas, TX Spring 2014

1. Chemistry of Energy/Advanced Materials for New OpportunitiesDallas, TXSpring 2014 Michelle Buchanan Nitash P Balsara

2. Catalysis for fuel refinement, synthesis and utilization • Currently, catalysis touches many aspects of our economy and will continue to play an important role in the development of our future energy portfolio. • Need new materials and chemistries for these energy reaction schemes • Some challenges: • Cost • Scalability • Selectivity • Energy efficiency Theme Committee Contact: Daniel Lutterman (luttermanda@ornl.gov)

3. Harnessing Solar Energy p-type • Challenges: • Cost • Scalability • Delivery upon demand • Technological advances required in: • Photovoltaics • Bioconversion • Catalysis • Overall system and process design n-type Electricity Sunlight Fluid Heat Sunlight CO2 Fuel Sunlight H2O CO2 Biofuel Sunlight H2O Theme Committee Contacts: TanjaCuk and Danielle Tullman-Ercek

4. Materials and Chemistry at Extremes • Effects of chemical extremes on materials performance and lifetimes limit efficiency and environmental benefits of advanced energy schemes (turbines, geothermal, fuel cells, batteries, advanced steam, heat exchangers and transfer systems, etc.) • Extreme chemical reactivity provides possible new pathways for materials synthesis and discovery • Reactivity extremes challenge our scientific understanding of materials behavior • How do reaction pathways/mechanisms change when materials are subjected to extremes, including being farfrom equilibrium? • How do bulk and interfacial structures evolve under extreme reactant conditions? • What new phenomena emerge under extremes in reactants? • State-of-the-art theory, modeling, spectroscopies, microscopy, and scattering techniques needed to further our mechanistic understanding of materials and interfacial behavior in extreme environments Theme Committee Contact: Peter F. Tortorelli (tortorellipf@ornl.gov)

5. Materials in Nuclear Systems • Nuclear power currently provides a significant fraction of the United States’ non-carbon emitting power generation. • Modern materials science plays a pivotal role in both the extension of the life of the existing fleet and in the deployment of new modern light water reactors, advanced reactors with non-water coolants, small modular reactors, and fusion energy. • Materials degradation in a nuclear power plant is extremely complex due to the various materials and environmental conditions • Research involving mechanistic understanding of degradation, use of modeling and simulation tools, modern microscopy, and innovative ideas will be required to solve these issues and advance nuclear materials science. Theme Committee Contact: Jeremy Busby (busbyjt@ornl.gov)

6. Electrical Energy Storage Dreamliner 787 Li battery • New materials, chemistries, architectures, and separators for improving energy and power densities, charging rate, lifetime and safety of batteries and capacitors for transportation and stationary storage. • New computational tools for developing new materials and chemistries and for predicting device performance and lifetimes. • Development of analytical tools for studying underpinnings of redox reactions and charge transport under both thermodynamic and kinetic conditions. Nissan Leaf battery Theme Committee Contact: Jordi Cabana (jcabana@lbl.gov)

7. New Materials and Systems for the Grid 1.5 MW wind turbine • Generation • Wind (Improved performance and reliabiltiy of components) • Solar (Next generation photovoltaics (low cost, efficient, reliable)) • Storage • Flow batteries (low-cost membranes, flow fields, high voltage electrolytes and couples, air electrodes) • Container batteries, capacitors (Low-cycling strain materials capable of 10,000 cycles to 80 % DOD) • Transmission and Distribution - High Temperature Superconductors (HTS) • Low-cost 2nd generation wire of long lengths • Low-cost, superconducting fault current limiters (sFCL) • Power Electronics - Wide Bandgap Semiconductors (WBG) • Low cost processing of GaN, SiC, and Diamond • New materials that can operate at > 20 kV and 50 A 7-hour, 250 kWh Na/S battery A spool of HTS tape GaN on Si wafer Theme Committee Contact: Vince Battaglia (vsbattaglia@lbl.gov)

8. Materials for Energy Efficiency Materials and chemical processes designed to reduce energy consumption are an important aspect of realizing a sustainable energy future. • Building materials, including “smart” materials that change with environmental conditions • Recovery of waste heat via conversion to electricity or storage for later use • Improved solid state lighting and electronic displays • Efficient production of chemicals and materials used in agriculture, pharmaceuticals, bulk chemicals, consumer products and other applications. • Low energy separation process for use in water purification, carbon capture, or other industrial processes. • Computational and analytical tools, including sensors Theme Committee Contact: Phill Britt brittpf@ornl.gov

9. Enhanced Oil Recovery and Unconventional Oil and Gas Oil and gas deposits. • New methods to improve oil extraction efficiency from existing deposits such as chemical flooding, or combining enhanced oil recovery with CO2 capture and storage. • New techniques to economically extract oil and gas from unconventional deposits and reduce the environmental impact of production. • Finding tracers to gauge the effects/impact of production and developing new sensors to detect subsurface conditions. Theme Committee Contact: Andrew G. Stack (stackag@ornl.gov) Large volumes of oil are not recovered.

10. CO2 Capture, Utilization, and Storage BSE-SEM image of minerals and pores in sandstone from a CO2 sequestration pilot site (6 × 2.4 mm region) • New materials and chemistries for carbon capture from flue gases or from air • New experimental and computational tools for understanding meso-scale feedbacks between CO2-brine geochemistry and multiphase flow • Characterization of CO2-brine-rock interactions at high T, P, salinity for improving the efficiency of CO2 sequestration and CO2 utilization (enhanced hydrocarbon recovery, hydrothermal energy) Zeolite structure for CO2 capture Theme Committee Contact: Ian Bourg (icbourg@lbl.gov)

11. Division Matrix of Possible Interests