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Next Generation Photon Sources for Grand Challenges in Science And

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On the Cover: Laser pulses can be shaped or tailored in order to control the pathway of a photochemical reaction. For example, different dissociation products can be produced from a given molecule, depending on the temporal and spectral shape of the laser pulse. Fourth generation X-ray light sources can reveal the structure and electronic energies of the intermediate and final states during the course of the photochemical reaction by interrogation with an X-ray pulse, correlated in time with the laser pulse driving the reaction. Next-Generation Photon Sources for Grand Challenges in Science and Energy Report of the Workshop on Solving Science and Energy Grand Challenges with Next-Generation Photon Sources October 27-28, 2008 Rockville, Maryland Co-Chairs Wolfgang Eberhardt Helmholtz Center, Berlin and Franz Himpsel University of Wisconsin - Madison Discussion Leaders Scientific Editors Nora Berrah (Western Michigan) Simon Bare (UOP LLC) Gordon Brown (Stanford) Michelle Buchanan (Oak Ridge) Hermann Dürr (Berlin) George Crabtree (Argonne) Russell Hemley (Carnegie Institution, D.C.) Wolfgang Eberhardt (Berlin) John C. Hemminger (Irvine) Franz Himpsel (Wisconsin) Janos Kirz (Berkeley) Marc Kastner (MIT) Rick Osgood (Columbia) Michael Norman (Argonne) Julia Phillips (Sandia) John Sarrao (Los Alamos) Robert Schlögl (Berlin) Z.X. Shen (Stanford) A Report of the Basic Energy Sciences Advisory Committee Chair: John C. Hemminger University of California - Irvine Prepared by the BESAC Subcommittee on Facing Our Energy Challenges in a New Era of Science Co-chairs: George Crabtree Argonne National Laboratory and Marc Kastner Massachusetts Institute of Technology U.S. Department of Energy May 2009 Basic Energy Sciences Advisory Committee Chair: John C. Hemminger (University of California-Irvine) Simon Bare (UOP LLC) Nora Berrah (Western Michigan University) Sylvia Ceyer (Massachusetts Institute of Technology) Sue Clark (Washington State University) Peter Cummings (Vanderbilt University) Frank DiSalvo (Cornell University) Mostafa El-Sayed (Georgia Institute of Technology) George Flynn (Columbia University) Bruce Gates (University of California-Davis) Laura Greene (University of Illinois at Urbana-Champaign) Sharon Hammes-Schiffer (Pennsylvania State University) Michael Hochella (Virginia Polytechnic Institute) Bruce Kay (Pacific Northwest National Laboratory) Kate Kirby (Smithsonian Center for Astrophysics) William McCurdy, Jr. (University of California-Davis) Daniel Morse (University of California-Santa Barbara) Martin Moskovits (University of California-Santa Barbara) Kathryn Nagy (University of Illinois at Chicago) John Richards (California Institute of Technology) John Spence (Arizona State University) Kathleen Taylor (General Motors, retired) Douglas Tobias (University of California-Irvine) John Tranquada (Brookhaven National Laboratory) Designated Federal Officer: Harriet Kung Associate Director of Science for Basic Energy Sciences Subcommittee on Facing our Energy Challenges in a New Era of Science Co-chairs: George Crabtree (Argonne National Laboratory) Marc Kastner (Massachusetts Institute of Technology) Simon Bare (UOP LLC)* Michelle Buchanan (Oak Ridge National Laboratory) Andrea Cavalleri (Oxford University, UK) Yet-Ming Chiang (Massachusetts Institute of Technology) Sue Clark (Washington State University)* Don DePaolo (Lawrence Berkeley National Laboratory) Frank DiSalvo (Cornell University)* Wolfgang Eberhardt (BESSY-Berlin) John C. Hemminger (ex officio, University of California-Irvine)** Wayne Hendrickson (Columbia University) Franz Himpsel (University of Wisconsin-Madison) Michael Klein (University of Pennsylvania) Carl Lineberger (University of Colorado) Patrick Looney (Brookhaven National Laboratory) Thomas Mallouk (Pennsylvania State University) Michael Norman (Argonne National Laboratory) Arthur Nozik (National Renewable Energy Laboratory) Julia Phillips (Sandia National Laboratories) John Sarrao (Los Alamos National Laboratory) Technical Support: Michael Casassa (Basic Energy Sciences) Jim Horwitz (Basic Energy Sciences) Roger Klaffky (Basic Energy Sciences) * BESAC Member ** BESAC Chair TABLE OF CONTENTS Notations............................................................................................................................................... iii 1. Executive Summary.......................................................................................................................... 1 2. Introduction....................................................................................................................................... 3 3. Photon Science Drivers .................................................................................................................... 13 4. Cross-Cutting Challenges ................................................................................................................ 31 5. Conclusion ........................................................................................................................................ 45 Appendix 1: Photon Sources................................................................................................................. 47 Appendix 2: New Scientific Opportunities........................................................................................... 67 Appendix 3: Related Studies................................................................................................................. 109 Appendix 4: Photon Workshop Charge ................................................................................................ 111 Appendix 5: Photon Workshop Agenda ............................................................................................... 113 Appendix 6: Photon Workshop Participants......................................................................................... 117 i ii NOTATION ARPES angle-resolved photoemission spectroscopy ASISI Argonne Scattering, Imaging and Spectroscopy Institute BES Basic Energy Sciences BESAC Basic Energy Sciences Advisory Committee BNL Brookhaven National Laboratory BRN Basic Research Needs CGH computer-generated hologram CW continuous wave (also cw) DNA deoxyribonucleic acid DOE U.S. Department of Energy EOS equation of state ERL energy recovery LINAC ESFRI European Strategy Forum on Research Infrastructures EUV extreme ultraviolet EXAFS extended X-ray absorption fine structure FEL free electron laser GIXD grazing-incidence x-ray diffraction HGHG high gain harmonic generation HHG high harmonic generation ICF inertial confinement fusion ID insertion device IR infrared IXS inelastic X-ray scattering LCLS LINAC Coherent Light Source LINAC linear accelerator MAD multiwavelength anomalous dispersion MCD magnetic circular dichroism MEG multiple exciton generation NEXAFS near-edge X-ray absorption fine structure NSLS National Synchroton Light Source NSRC Nanoscale Science Research Center PCM phase-change memory PDF pair distribution function PEEM photoemission electron microscopy PES photoemission P-T pressure-temperature iii QD quantum dot R&D research and development RF radion frequency RIXS resonant inelastic X-ray scattering SASE self-amplified spontaneous emission SAXS small-angle X-ray scattering SCSS SPring-8 Compact SASE Source SEM scanning electron microscopy SPES scanning photoelectron spectromicroscopy SPP surface plasmon polariton STFC Science and Technology Facilities Council STXM scanning transmission X-ray microscopy TIPS Theory Institute for Photon Sciences UCLA University of California at Los Angeles UV ultraviolet VUV vacuum ultraviolet WAXS wide-angle X-ray scattering WDM warm dense matter XANES X-ray absorption near edge structure XAS X-ray absorption spectroscopy XES X-ray emission spectroscopy XPCS X-ray photon correlation spectroscopy XPS X-ray photoemission spectroscopy XRD X-ray diffraction 2-D two-dimensional 3-D three-dimensional Units of Measurement as attosecond eV electron volt fs femtosecond Gbar gigabar K Kelvin keV kiloelectron volt Mbar megabar meV millielectron volt nm nanometer ps picosecond s second THz terahertz iv 1. EXECUTIVE SUMMARY The next generation of sustainable energy technologies will revolve around transformational new materials and chemical processes that convert energy efficiently among photons, electrons, and chemical bonds. New materials that tap sunlight, store electricity, or make fuel from splitting water or recycling carbon dioxide will need to be much smarter and more functional than today’s commodity-based energy materials. To control and catalyze chemical reactions or to convert a solar photon to an electron requires coordination of multiple steps, each carried out by customized materials and interfaces with designed nanoscale structures. Such advanced materials are not found in nature the way we find fossil fuels; they must be designed and fabricated to exacting standards, using principles revealed by basic science. Success in this endeavor requires probing, and ultimately controlling, the interactions among photons, electrons, and chemical bonds on their natural length and time scales. Control science—the application of knowledge at the frontier of science to control phenomena and create new functionality—realized through the next generation of ultraviolet and X-ray photon sources, has the potential to be transformational for the life sciences and information technology, as well as for sustainable energy. Current synchrotron-based light sources have revolutionized macromolecular crystallography. The
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