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PNNL Highlights for the Office of Basic Energy Sciences (July 2013 – July 2014)

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PNNL Highlights for the Office of Basic Energy Sciences (July 2013 – July 2014) PNNL-23552 About the Cover: Long thought to be unresponsive to ultraviolet light, oxygen adatoms actually respond to light. PNNL researchers made this discovery by coating the surface of the catalyst titanium dioxide with krypton reporters. When light strikes the catalyst, the oxygen adatoms become electronically excited and knock the krypton off the surface. PNNL Highlights for the Office of Basic Energy Sciences (July 2013 – July 2014) August 2014 Prepared for the U.S. Department of Energy under Contract DE-AC05-76RL01830 Pacific Northwest National Laboratory Richland, Washington 99352 Summary Pacific Northwest National Laboratory Highlights for the Office of Basic Energy Sciences showcases our fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels to provide the foundations for new energy technologies and to support the U.S. Department of Energy’s missions. The highlights are from July 2013 to July 2014. In addition to reading about outstanding fundamental research that appeared in key scientific publications, you’ll also see invited review articles, where our staff were asked to provide the definitive examination of a topic. The BES leadership highlights showcase our experts’ contributions to the chemical sciences, geosciences, biosciences, and materials sciences. You’ll see new fellows in the Materials Research Society, Royal Society of Chemistry, and other organizations along with awards from professional societies in the United States and abroad. As you leaf through these pages, you will see that Pacific Northwest National Laboratory’s contributions to BES programs are making significant impacts in the basic energy sciences. PNNL is poised to deliver even more important science to the nation in the future. We are pleased to share this limited edition compilation with you. iii Contents Research Highlights ............................................................................................................................ 1 Catalysis ..................................................................................................................................... 3 Navigating the Nitrogen Passage ....................................................................................... 5 Getting into the Fast Lane Means Minor Adjustments Far from the Catalyst’s Core ........ 7 State of the Science: Making Plastics from Biomass, Not Fossil Fuels ............................. 9 The Science of Creating Catalysts for Energy Storage .................................................... 11 Building Complexity Through Collaboration .................................................................. 13 The Complexity of Catalytically “Cracking” Cellulose ................................................... 15 A Crystal of a Different Color .......................................................................................... 18 Analyzing the Status of Oxide Surface Photochemical Reactivity .................................. 20 Energy Frontier Research Center.............................................................................................. 23 Building the Ideal Rest Stop for Protons .......................................................................... 25 Researchers Propose a Common Yardstick to the Efficiency of Molecular Electrocatalysts ...................................................................................................... 27 Predicting Potholes on the Road to Renewable Energy ................................................... 29 Halving Hydrogen ............................................................................................................ 31 Uncovering the Details of Proton Relays Vital to Creating New Catalysts for Energy Storage ................................................................................................................... 34 Revving Up Catalysts by Building in Proton-Only Offramp ........................................... 36 When Less Is More: Fewer Proton Relays Improve Catalytic Rates ............................... 38 A Better Bit of Binding .................................................................................................... 40 New Catalyst Dives into Water to Produce Hydrogen ..................................................... 42 Condensed Phase and Interfacial Molecular Science ............................................................... 45 Satisfying Metals’ Thirst Vital for High-Capacity Batteries ............................................ 47 Krypton Reporter Uncovers Oxygen’s Antics ................................................................. 50 Hot Radicals Change Material, Giving It an Affinity for Electrons ................................. 52 Strong Forces at Work in Simple Table Salt .................................................................... 54 Chemical Analysis .................................................................................................................... 57 The Stability of Gold Clusters: Every Ligand Counts...................................................... 59 Strong Influence of a Minor Substitution in Gold Clusters .............................................. 62 The Changing Face of Aerosols ....................................................................................... 65 Geosciences .............................................................................................................................. 67 Just in Time ...................................................................................................................... 69 v Computer Simulations Indicate Calcium Carbonate Has a Dense Liquid Phase ............. 71 Joint Center for Energy Storage Research ................................................................................ 73 Degradation Mechanisms Uncovered in Li-Ion Battery Electrolytes .............................. 75 Batteries as They Are Meant To Be Seen ........................................................................ 77 Synthesis and Processing Science ............................................................................................ 81 Battery Development May Extend Range of Electric Cars .............................................. 83 The Character of a Cathode .............................................................................................. 86 Electron and Scanning Probe Microscopies ............................................................................. 89 Watching Nanoparticles Grow ......................................................................................... 91 Leadership Highlights ....................................................................................................................... 93 Window into Liquid Analysis Earns PNNL an R&D 100 Award.................................... 95 Five PNNL Researchers Named Most Cited .................................................................... 97 Jay Grate Elected Electrochemical Society Fellow .......................................................... 98 DOE to Renew Energy Frontier Research Center at PNNL ............................................. 99 Heat Treatment of Copper-Based Zeolite Catalysts Is a Hot Topic ............................... 101 Jim Amonette Revises Model to Provide Detailed Data for Philanthropy Report ......... 102 Aaron Appel’s Invited Article on Catalysts for Renewable Fuels Appears in Nature ... 103 Tiffany Kaspar Honored by American Physical Society for Outstanding Reviews....... 104 Jim De Yoreo Elected Materials Research Society Fellow ............................................ 105 Ilke Arslan Joins Microscopy & Microanalysis Editorial Board ................................... 106 PNNL’s Condensed Phase Research Proves Popular with Scientists ............................ 107 Sebastien Kerisit Appointed Associate Editor for Geochemical Transactions .............. 109 Fast Nickel Catalyst Breaks into College Textbook ...................................................... 110 Scientists’ Advances in Measuring Water’s Surface Potential Referenced in Electrochemical Book ......................................................................................... 111 Scott Chambers Assembles Oxide Interfaces Collection for Physics Journal................ 112 Morris Bullock’s Perspective on Cheap Metals and Precious Performance Appears in Science ................................................................................................................. 113 Ilke Arslan Presents at National Academy of Sciences’ Kavli Symposium .................. 114 International Scientific Conference Dedicates Session to Honor Jean Futrell ............... 115 Patricia Abellan Earns International Award for Doctoral Thesis ................................... 116 Scientists Discuss How Catalysts Transform Waste into Fuels ..................................... 117 Scientists Write Invited Review to Commemorate 60th Anniversary of Scientific Journal ................................................................................................................. 119 Scientists Write Book on Answering the Challenges of Clean Energy with Molecular Modeling ............................................................................................................. 120 vi Morris Bullock Named Fellow of the Royal Society of Chemistry ............................... 121 Johannes Lercher Receives Francois Gault Lectureship
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