# Presentation: 107997

## DOE-BES Sponsored Workshop on Basic Research for Hydrogen Production, Storage and Use

- Institute Professor
- Massachusetts Institute of Technology

- Workshop: May 13-15, 2003
- A follow-on workshop to BESAC-sponsored workshop on “Basic Research Needs to Assure a Secure Energy Future”

- BESAC Presentation
- May 28, 2003

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Context

- President Bush announced a $1.2 billion hydrogen initiative to lessen America’s dependence on foreign oil and to reduce greenhouse gas emissions.
- U.S. Representative Sherwood Boehlert: “The ‘Freedom Fuel’ plan is exactly the kind of investment we need to make in our energy future.”
- Secretary of Energy Abraham: “A hydrogen economy will mean a world where our pollution problems are solved and where our need for abundant and affordable energy is secure... and where concerns about dwindling resources are a thing of the past.”

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Workshop Charter

- To identify fundamental research needs and opportunities in hydrogen production, storage, and use, with a focus on new, emerging and scientifically challenging areas that have the potential to have significant impact in science and technologies.
- Highlighted areas will include improved and new materials and processes for hydrogen generation and storage, and for future generations of fuel cells for effective energy conversion.

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Workshop Organizers

**Workshop Chair:****	**Millie Dresselhaus 	(MIT)
**Associate Chairs:****	**George Crabtree	(ANL)
- 		Michelle Buchanan	(ORNL)
**Pre-Workshop Briefing Presenters:**
- 		JoAnn Milliken 	(EERE)
- 		Nancy Garland 	(EERE)
- 		Mark Paster 	(EERE)
- EERE:  DOE Office of Energy Efficiency and Renewable Energy

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Workshop Panel Chairs

**Basic Research Challenges in Hydrogen Production**
- Session Chairs:	Tom Mallouk (Penn State University)
- 		Laurie Mets (University of Chicago)
**Hydrogen Storage and Distribution****  **
- Session Chairs: 	Kathy Taylor (General Motors, Retired)
- 		Puru Jena (Virginia Commonwealth University)
**Fuel Cells and Novel Fuel Cell Materials**
- Session Chairs: 	Frank DiSalvo (Cornell University)
- 		Tom Zawodzinski (Case Western Reserve Univ.)

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Four Questions 

- What do we already know?
- Where do we want to be?
- What do we need to do to get there?

- Four Questions

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Recognize the Great Challenge of Implementing the Hydrogen Economy
Solicit Participation of Stakeholders
Recognize Roles of Various DOE Programs: Their Technology Goals, Objectives, and Milestones
Understand Time Scale of the Objectives 
Coordinate Basic Research with Technology Development

- Solicit Participation of Stakeholders
- Recognize Roles of Various DOE Programs: Their Technology Goals, Objectives, and Milestones
- Understand Time Scale of the Objectives
- Coordinate Basic Research with Technology Development

- Workshop Approaches

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Research needs and opportunities to address long term “Grand Challenges” and to overcome “show-stoppers.” 
Prioritized research directions with greatest promise for impact on reaching long-term goals for hydrogen production, storage and use.  
Issues cutting across the different research topics/panels that will need multi-directional approaches to ensure that they are properly addressed.  
Research needs that bridge basic science and applied technology:
So challenging that long term sustained effort is required
Opportunity driven by advances in science and technology
Technology needs driven- basic research with highest potential for impact

- Prioritized research directions with greatest promise for impact on reaching long-term goals for hydrogen production, storage and use.
- Issues cutting across the different research topics/panels that will need multi-directional approaches to ensure that they are properly addressed.
- Research needs that bridge basic science and applied technology:
- So challenging that long term sustained effort is required
- Opportunity driven by advances in science and technology
- Technology needs driven- basic research with highest potential for impact

- Workshop Goals

- To identify:

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Plenary Session Presentations

**President’s Hydrogen Initiative**
**	****	**Steve Chalk (DOE EE/RE)
**Hydrogen Storage:  State of the Art**** **
**	****	**George Thomas (SNL-CA, Retired)
**Onboard Hydrogen Storage, Who’s Driving and Where Are We Going?**
**	****	**Scott Jorgensen (General Motors)
**Hydrogen and Climate Change**
**	****	**Jae Edmonds (PNNL)
**Science of Hydrogen Safety**** **
**	****	**Jay Keller (SNL-CA)

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Hydrogen Production

**Current Status, Challenges and Opportunities**

**Status:** Steam-reforming of Natural Gas produces 9M tons H2/yr; Expansion by 40M tons/yr for transportation requires better catalysts. Requires CO2 sequestration to meet fundamental goals of H2 economy.
- Solar electrolysis - 15% efficient (would require 0.03% land area to meet all transportation needs).  Too expensive to compete at present.
**Major Challenge:**
- Develop carbon-neutral, sustainable, cost-effective production of hydrogen presents **urgent** and **diverse** basic scientific challenges
**Intermediate goals: ****better CATALYSTS and better materials for fossil and biomass conversion processes.**
**Long term goals: ****more efficient, cheaper, more durable solar conversion processes; Development of nuclear resources; reduce dependence on noble metal catalysis.**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Panelists
Michael WW Adams (University of Georgia)
Les Dutton (University of Pennsylvania)
Charles Forsberg (ORNL) 
Heinz Frei (LBL)
Tom Moore (Arizona State University)
Jens Nørskov (Technical University of Denmark)
Arthur J. Nozik (NREL)
K. Lee Peddicord (Texas A&M University)
Tom Rauchfuss (University of Illinois)
John A. Turner (NREL)
Luping Yu (University of Chicago)

- Michael WW Adams (University of Georgia)
- Les Dutton (University of Pennsylvania)
- Charles Forsberg (ORNL)
- Heinz Frei (LBL)
- Tom Moore (Arizona State University)
- Jens Nørskov (Technical University of Denmark)
- Arthur J. Nozik (NREL)
- K. Lee Peddicord (Texas A&M University)
- Tom Rauchfuss (University of Illinois)
- John A. Turner (NREL)
- Luping Yu (University of Chicago)

_**Speakers**_
- Allen Bard (UT, Austin)**Solar Production**
- Charles Dismukes (Princeton)**Biological and Biomimetic**
- Jennifer Holmgren (UOP)**Fossil production**
- Ken Schultz (General Atomics)**Nuclear Production**
- Lenny Tender (NRL)**Bio/Inorganic interfaces**

**Hydrogen Production Session Team**
**Co-Chairs:** **Tom Mallouk (Penn State), Laurens Mets (U of Chicago)**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Findings:  Scientific Challenges and Opportunities 
Improved catalysts (e.g. lower T water-gas shift reaction; desulfurization catalysts) - more active, more specific, more stable, less susceptible to poisoning/fouling
Improved gas separations (e.g. membranes – more robust and selective)
Findings:  Priority Research Areas 
Combinatorial synthesis and analysis of catalysts
Integrated experimental and computational approaches to understand and control 
active sites at the atomic level
catalytic mechanisms
catalyst design on the nano-scale

_**Findings:  Scientific Challenges and Opportunities**_
- Improved **catalysts** (e.g. lower T water-gas shift reaction; desulfurization catalysts) - more **active**, more **specific**, more **stable**, less susceptible to poisoning/fouling
- Improved **gas** **separations** (e.g. membranes – more robust and selective)
_**Findings:  Priority Research Areas**_
**Combinatorial synthesis and analysis of catalysts**
**Integrated experimental and computational approaches to understand and control**** **
- active sites at the atomic level
- catalytic mechanisms
- catalyst design on the nano-scale

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
I condensed slide 15 and 16 and deleted what was previously 16.

## Findings:  Scientific Challenges and Opportunities
Integrate light harvesting, charge separation and transport, charge transfer (fuel formation) and stability into working systems
Design and assembly of 2-D and 3-D systems for very low cost solar cells (solar “paint”)
Priority Research Areas
Light harvesting - absorption of full solar spectrum, efficiency
Charge transport - effect of structure, energy loss mechanisms, charge separation
 Composite assemblies 
	- Organic/inorganic/polymer hybrid chemical systems
	- Understand effects of nanostructure and surface area

_**Findings:  Scientific Challenges and Opportunities**_
- Integrate** **light harvesting, charge separation and transport, charge transfer (fuel formation) and stability into **working systems**
- Design and assembly of 2-D and 3-D systems for **very low cost solar cells** (solar “paint”)
_**Priority Research Areas**_
**Light harvesting** - absorption of full solar spectrum, efficiency
**Charge transport** - effect of structure, energy loss mechanisms, charge separation
-  **Composite assemblies**
- 	- Organic/inorganic/polymer hybrid chemical systems
- 	- Understand effects of nanostructure and surface area

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Hydrogen Production Bio- and bio-inspired H2 production

_**Findings:  Scientific Challenges and Opportunities**_
- Living organisms efficiently produce H2 without noble metals using solar or fixed carbon energy
- Exploration of the diversity of their processes is just beginning
- Tools for engineering biological systems are improving rapidly
- Advances in understanding biological design invite integration of biomimetic catalysts into complex engineered systems
_**Priority Research Areas**_
- Identify microbes & component redox enzymes, cofactors for producing/metabolizing H2 and other fuels (CO, CH4,...)
- Develop and interface biological and biomimetic redox catalysts into nanostructured 2D & 3D complexes for hydrogen/oxygen catalysis, sensing, and energy transduction
- Engineer robust biological H2 production systems

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Hydrogen Production Nuclear and solar thermal hydrogen

_**Findings:  Scientific Challenges and Opportunities**_
**Cost/efficiency** (duty cycle) for** solar thermochemical **(TC)
**Separations **and** materials **performance
- H2 from direct thermolysis (>2500oC) and radiolysis are interesting but speculative
_**Priority Research Areas**_
**Thermodynamic data **and** modeling **for TC
**High temperature materials **in oxidizing environments at ~900oC
**	**** ****- Solid oxide materials **and** membranes**
**	**** ****- **TC heat exchanger** materials**
- High temperature **gas separation **
- Improved** catalysts**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Target Applications**
- Transportation– on board vehicles and non-transportation applications for hydrogen production/delivery
**System Requirements**
- Demand compact, light-weight, affordable storage.
- System requirements set for FreedomCAR: 4.5 wt% for 2005, 9 wt% for 2015.
- No current storage system or material meets all targets. (Currently: Solid Storage  3%; Liquid and Gas Storage  4%)
**Current Technology **
- Focus mainly on tanks for gaseous or liquid hydrogen storage.
- Progress demonstrated in solid state storage materials: metallic hydrides, light metal hydrides, complex (chemical) hydrides, novel nanostructured materials.
**Future Technology Needs**
- Basic research to identify new materials and to improve the properties of existing materials before they can be considered viable candidates.
-  Theory and computation to understand the mechanisms, electronic structure, dynamics and energetics of hydrogen in materials.

- Hydrogen Storage and Distribution Panel

**Current Status, Technology Goals and Scientific Challenges**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Panelists
Mike Baskes (Los Alamos National Laboratory) 
Seiji Suda (Kogakun University, Japan) 
John Wolan (University of South Florida) 
James Ritter, University of South Carolina 
Hannes Jonsson (University of Washington) 
BjÖrgvin HjÖrvarsson (Uppsala University, Sweden) 
George Thomas (Sandia National Laboratories (Retired)) 
Vitalij Pecharsky (Ames Laboratory) 

- Mike Baskes (Los Alamos National Laboratory)
- Seiji Suda (Kogakun University, Japan)
- John Wolan (University of South Florida)
- James Ritter, University of South Carolina
- Hannes Jonsson (University of Washington)
- BjÖrgvin HjÖrvarsson (Uppsala University, Sweden)
- George Thomas (Sandia National Laboratories (Retired))
- Vitalij Pecharsky (Ames Laboratory)

_**Speakers**_
- Scott Jorgensen (GM)
**Key Issues**
- Robert Bowman (Jet Propulsion Laboratory)
**Metal and Compound Hydrides**
- Karl Johnson (University of Pittsburgh)
**Theory and Computation**
- Thomas Klassen (GKSS-Research Center, Germany)
**Nanostuctured Hydrides**
- Peter Eklund (Penn State University)
**Carbon related materials**

**Hydrogen Storage and Distribution Team**
**Co-Chairs:** **Kathy Taylor (GM, Retired) and Puru Jena (VCU)**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Key Issues

- Statement of Issues:
- Hydrogen storage may be a “show stopper” for vehicle utilization. No materials are close to meeting long term targets (FreedomCAR)
- Safety issues must be addressed
- Objective:
- Develop new concepts for hydrogen storage
- Approach:
- BES can provide the cohesive force to enable the development of new storage concepts

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Development of New Concepts

- Develop improved materials
- Storage media
- Containment and transport
- Multidisciplinary efforts – involve Materials Science, Chemistry, Physics, and Engineering
- Identify molecular level mechanisms
- Advance materials synthesis and processing
- Develop predictive models
- Develop advanced analytical and characterization tools

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
I like the statement on multidisciplinary efforts—but this might be rolled up and talked about at the end since this is true for all three areas.  

Also last four bullets are definitely cross-cutting issues—don’t know if you need to state it here.  Perhaps this entire slide could be deleted?

## How BES Can Help

- Develop coordinated plan of research
- Provide close coupling between theory and experiment
- Encourage and support new, untested concepts
- Implement “round robin” exchange of materials and techniques
- Enhance BES/EERE communication
- Align BES strategy better with EERE needs
- Coordinate and balance long range vs. short range research efforts

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
I like this slide, but I would move it towards the end.  This is also true of all three areas.  This is where I would add the multi-disciplinary approach statement

## Hydrogen Storage:Priority Research Areas

- Initiate a broadly based research program to explore and further the potential of complex hydrides for hydrogen storage
- Exploit computational methods to predict trends, guide experiments, and to identify new promising materials for hydrogen storage & catalysis
- Utilize fundamentally different physical and chemical properties at the nanoscale in the design of new storage materials

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Fuel Cells and Novel Fuel Cell Materials Panel

**Current Status, Technology Goals and Scientific Challenges**

**Status:** Engineering investments have been a success. Limits to
-  performance are materials, which have not changed much in 15 years.
**Cathodes**
- Materials with lower overpotential and resistance to impurities.
- Low temp operation needs cheaper (non- Pt) materials.
**Membranes**
- Operation in lower humidity, strength and durability.
- Higher ionic conductivity.
**Anodes**
-  Tolerance to impurities: CO, S, hydrocarbons.
-  low T operation needs cheaper (less Pt, or non- Pt) materials.
**Reformers**
-  If H2 storage is not solved, and perhaps in transition period, 	the H will be derived from hydrocarbons by reforming.
- Need low temperature and inexpensive reformer catalysts.

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
I really like this slide; I bulletized it to make it less wordy

## Panelists  
Fernando  Garzon, LANL			John Lannutti, OSU
Sossina Haile, Cal Tech				Zachary Fisk, FSU

Speakers
Shimshon Gottesfeld, MTI Micro FCs		Adam Heller, U/Texas
Jim McGrath, Virginia Tech			Hubert Gasteiger, GM
Levi Thompson, U/Michigan			Ray Gorte, Penn
Joel Christian, Osram/Sylvania 			Woods Halley,UMN

Additional Contributors
Andrew Gewirth, UI				David Ginley, NREL
Radoslav Adzic, BNL				Giselle Sandi, ANL
Marvin Singer, DOE

- Fernando  Garzon, LANL			John Lannutti, OSU
- Sossina Haile, Cal Tech				Zachary Fisk, FSU
_**Speakers**_
- Shimshon Gottesfeld, MTI Micro FCs		Adam Heller, U/Texas
- Jim McGrath, Virginia Tech			Hubert Gasteiger, GM
- Levi Thompson, U/Michigan			Ray Gorte, Penn
- Joel Christian, Osram/Sylvania 			Woods Halley,UMN
- _Additional Contributors_
- Andrew Gewirth, UI				David Ginley, NREL
- Radoslav Adzic, BNL				Giselle Sandi, ANL
- Marvin Singer, DOE

**Fuel Cells and Novel Fuel Cell Materials Team**
**Co-Chairs:** **Frank DiSalvo (Cornell) and Tom Zawodzinski (CWSU)**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
On the other slides, topic areas of talks were given.

## Fuel Cells and Novel Fuel Cell Materials Panel

**Significant performance challenges demand cheaper, more durable materials that have better operating characteristics, especially in the case of electrocatalysts, membranes (ionic conductors), and reformer catalysts.**
**The major challenges (durability, efficiency, insensitivity to impurities, lower cost, etc.) can only be addressed by developing new and better materials and processes. **
**These challenges represent significant opportunities for broad collaborative R&D efforts in materials synthesis and processing, characterization, and theory/modeling.**

**Fuel Cells and Novel Fuel Cell Materials Panel**
**Breakout Session Summary**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
This slide is too wordy and just summarizes the next few slides.  I recommend deleting it.

## 
Findings:  Scientific Challenges and Opportunities
New Materials
Many classes of materials, previously ignored, have recently shown promise.  
Need rapid synthesis, analysis and evaluation.

Priority Research Areas
Improved cathodes (low overpotential, durable, impurity tolerant )
Materials that minimize rare metal usage in cathodes and anodes
Synthesis and processing of designed triple percolation electrodes

_**Findings:  Scientific Challenges and Opportunities**_
- New Materials
- Many classes of materials, previously ignored, have recently shown promise.
- Need rapid synthesis, analysis and evaluation.
_**Priority Research Areas**_
- Improved cathodes (low overpotential, durable, impurity tolerant )
- Materials that minimize rare metal usage in cathodes and anodes
- Synthesis and processing of designed triple percolation electrodes

**Fuel Cells and Novel Fuel Cell Materials** **Electrocatalysts**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Findings:  Scientific Challenges and Opportunities
Basic understanding of materials/structure/transport relationships
Proton conduction in low- or zero-water environment at elevated temperature
Understanding factors controlling durability
New methodologies for materials discovery 
Complementary experimental and  theoretical approaches

Priority Research Areas
‘Higher’ temperature proton conductors
Fundamental understanding of degradation mechanisms
Functionalizing Materials with Tailored Nano-structures
Interfaces and Adhesion

**Basic understanding of materials/structure/transport relationships**
**Proton conduction in low- or zero-water environment at elevated temperature**
**Understanding factors controlling durability**
**New methodologies for materials discovery **
**Complementary experimental and  theoretical approaches**
_**Priority Research Areas**_
**‘****Higher’ temperature proton conductors**
**Fundamental understanding of degradation mechanisms**
**Functionalizing Materials with Tailored Nano-structures**
**Interfaces and Adhesion**

**Fuel Cells and Novel Fuel Cell Materials** **Low Temperature Materials**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
Minor word-smithing

## Findings:  Scientific Challenges and Opportunities
New materials and synthetic approaches
Electrolytes, anodes, cathodes
Higher conductivity, chemical stability, improved mechanical properties, exploratory materials synthesis
Ceramic proton conductors
Improved electrokinetics, nanostructured architecture, functionally graded interfaces
Interconnects with ‘metallic conductivity, ceramic stability’ 
High strength, thermally shock resistant, chemically compatible materials for seals
Modeling ionic and electronic transport processes in bulk, at surfaces and across interfaces
New techniques for characterization of electrochemical processes
Innovative fuel cell architectures

- New materials and synthetic approaches
- Electrolytes, anodes, cathodes
- Higher conductivity, chemical stability, improved mechanical properties, exploratory materials synthesis
- Ceramic proton conductors
- Improved electrokinetics, nanostructured architecture, functionally graded interfaces
- Interconnects with ‘metallic conductivity, ceramic stability’
- High strength, thermally shock resistant, chemically compatible materials for seals
- Modeling ionic and electronic transport processes in bulk, at surfaces and across interfaces
- New techniques for characterization of electrochemical processes
- Innovative fuel cell architectures

**Fuel Cells and Novel Fuel Cell Materials** **Solid Oxide Fuel Cells **

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

**Notes:**
Minor cosmetic changes here in biullet on interconnects

## Priority Research Areas
Theory, modeling and simulation, validated by experiment, for electrochemical materials and processes
New materials – all components!
Novel synthesis routes for optimized architectures
Advanced in-situ analytical tools

- Theory, modeling and simulation, validated by experiment, for electrochemical materials and processes
- New materials – all components!
- Novel synthesis routes for optimized architectures
- Advanced in-situ analytical tools

**Fuel Cells****Solid Oxide Fuel Cells**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Crosscut Issue:  Compatibility between production, storage, fuel cell requirements

***Improved performance in all aspects of hydrogen utilization***
- Advanced materials
- Gas purity requirements (from fuel cells to production)
- Temperature/pressure of operation (from fuel cells to storage)
***Challenges***
- Reduce purity requirements for fuel cells
- Increase operating temperature of fuel cells
- Increase impurity tolerance of storage materials
- Increase purity of hydrogen produced

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Crosscut Issues

**Membranes and Separations**
**Nanostructured / Novel Materials**
**Sensors, Characterization and Measurement Techniques**
**Theory, Modeling, and Simulation (TMS)**
**Safety**

**Crosscut Issues**

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Framework of Panel Report 

- What do we already know?
- Where do we want to be?
- What do we need to do to get there?
-   Major Findings
-   Prioritized Research Directions
-   Cross-cutting Issues

- Framework of Panel Report

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use

## Proposed Workshop Report Outline

- Executive Summary
- I. 	Introduction and Overview
- II.	Panel Reports (three reports)
- III.	Integration of Major Findings, Cross-Cutting Issues, and Research Directions
- IV. 	Conclusions
- Appendices
- 	Research Direction Write-Ups

- BES Workshop on Basic Research for Hydrogen Production, Storage, and Use