A. Novel Materials
1. Multifunctional materials and structures
Description: Designing and achieving multi-functionalities in a system by materials engineering or by integrating materials with different properties and structures.
a) Hydrogen separation/sensing
Description: Discover materials that could provide both hydrogen gas separation and sensing.
b) Hydrogen production/conversion
Description: Design materials and structures that could produce hydrogen and generate electrical power simultaneously.
c) Hydrogen production/storage/conversion
Description: Combine the functionalities of hydrogen production, storage and conversion in a system or a single device to reduce mass and to increase efficiency by mimicking nature.
2. Catalytic Materials
Description: Develop non-platinum / non-noble-metal-based catalysts with potential applications in hydrogen production, storage, and conversion, including electrolysis, photoelectrochemical and photochemical production techniques, fuel cell electrodes and reformers. Areas of focus include more efficient, carbon-resistant reforming catalysts; more active, low-temperature-shift catalysts; better electrolysis catalysts; better photocatalysts; more efficient removal of contaminants, including sulfur and carbon monoxide; more CO-resistant anode materials for PEMFCs; better cathode materials with lower overpotentials for PEMFCs; development of hydrogen activation catalysts that depend less on noble metals; and multifunctional catalysts.
a) Catalytic mechanisms
Goals: Understand the following fundamental issues: catalytic activity from one system to the next; selectivity and trends in selectivity; deactivation mechanisms; the chemical and structural state of the active site during catalysis; metal-support interactions; size effects in catalysts; metal-metal interactions in bi- and multi-metallic catalysis; and methods for designing novel micro- and mesoporous solids.
i. Theory and modeling of catalytic properties
ii. Nano- to atomic-scale characterization methodologies
iii. High-throughput combinatorial synthesis and screening techniques
b) Nanoscale structures
Description: Controlled synthesis of nanomaterials with tailored structures can produce novel categories of catalysts with high surface area and a large, controllable concentration of catalytic active sites.
c) Fabrication techniques Description: Including nanofabrication technology.
3. Hydrogen Storage Materials
Description: Chemical stability, storage capacity, reversibility, thermodynamics of uptake and discharge, regeneration of irreversible materials, nanoscale effects, reproducibility of synthesis and performance, understanding of structure/function relationships
a) Carbon-based materials
b) Complex metal hydrides
c) Novel Materials and processes
d) Chemical hydrogen storage
4. Membrane Materials
Description: Potential applications in hydrogen production, storage, and conversion, including electrolyzers, gas separation systems, hydrogen purification, sensors, and fuel cell electrolytes.
a) Selectively permeable membranes
Description: Could yield efficient, inexpensive solar-to-hydrogen energy conversion devices as well as efficient electrode interfaces for fuel cells.
b) High-temperature membranes
Description: An ability to conduct efficient separations at high temperatures and in corrosive environments could enable high-efficiency solar or nuclear thermochemical water splitting. High-temperature, high-conductivity membranes could enable more efficient, low-cost, and durable fuel cells.
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