Basic Research Needs for Next Generation Electrical Energy Storage Report of the Basic Research Needs Workshop on Next Generation Electrical Energy Storage March 27 – 29, 2017 The cover image is a schematic representation of a lithium metal anode (bottom) and solid electrolyte (top) at the atomic scale. Scanning transmission electron microscopy revealed both the structure and chemistry of the interface region (Li7−3xAlxLa3Zr2O12) between the anode and electrolyte—a key discovery if this promising next generation battery electrolyte (Ma, C.; Cheng, Y.; Yin, K.; Luo, J.; Sharafi, A.; Sakamoto, J.; Chi, M., Nano Letters, 2016, 16, 7030-7036, DOI: 10.1021/acs.nanolett.6b03223) is ever to become a commercial reality. Image courtesy of Oak Ridge National Laboratory. NEXT GENERATION ELECTRICAL ENERGY STORAGE Basic Research Needs for Next Generation Electrical Energy Storage REPORT OF THE OFFICE OF BASIC ENERGY SCIENCES WORKSHOP ON ENERGY STORAGE CHAIR: CO-CHAIRS: George Crabtree, University of Illinois-Chicago/ Gary Rubloff, University of Maryland Argonne National Laboratory Esther Takeuchi, Stony Brook University/ Brookhaven National Laboratory PANEL LEADS (WITH PRD LEAD): Pathways to Simultaneous High Energy Discovery, Synthesis, and Design Strategies and Power for Materials, Structures, and Architectures Paul Braun (1), University of Illinois at Urbana- Perla Balbuena (1), Texas A&M University Champaign Amy Prieto (1), Colorado State University Jun Liu (4), Pacific Northwest National Laboratory Solid-State and Semi-Solid Electrochemical Structure, Interphases, and Charge Transfer Energy Storage at Electrochemical Interfaces Nancy Dudney (5), Oak Ridge National Laboratory Lynden Archer (3), Cornell University Jeff Sakamoto (3), University of Michigan David Prendergast (3), Lawrence Berkeley National Laboratory Cross-cutting Themes Yue Qi (2), Michigan State University In Pursuit of Long Lifetime and Reliability: Eric Stach (5), Brookhaven National Laboratory Time-Dependent Phenomena at Electrodes Mike Toney (2), SLAC National Accelerator Laboratory and Electrolytes Shirley Meng (5), University of California, San Diego Jay Whitacre (4), Carnegie Mellon University PRIORITY RESEARCH DIRECTION (PRD): PRD 1 – Tune Functionality of Materials and Chemistries to Enable Holistic Design for Energy Storage PRD 2 – Link Complex Electronic, Electrochemical, and Physical Phenomena across Time and Space PRD 3 – Control and Exploit the Complex Interphase Region Formed at Dynamic Interfaces PRD 4 – Revolutionize Energy Storage Performance through Innovative Assemblies of Matter PRD 5 – Promote Self Healing and Eliminate Detrimental Chemistries to Extend Lifetime and Improve Safety BASIC ENERGY SCIENCES TEAM: SPECIAL ASSISTANCE: Linda Horton Craig Henderson Science Writer: Gregory Fiechtner Thomas Russell Joseph Harmon, Argonne National Laboratory Bruce Garrett Andrew Schwartz George Maracas Michael Sennett Administrative: Natalia Melcer John Vetrano Katie Runkles, Basic Energy Sciences Charles Peden http://science.energy.gov/bes/community-resources/reports/ i REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP This page intentionally left blank. ii NEXT GENERATION ELECTRICAL ENERGY STORAGE Table of Contents Executive Summary ...................................................................................................................................................................1 1 Introduction ...................................................................................................................................................................... 3 2 Priority Research Directions in Next Generation Electrical Energy Storage ........................................................ 7 2.1 PRD 1 — Tune Functionality of Materials and Chemistries to Enable Holistic Design for Energy Storage .................................................................................................................................................9 2.1.1 Scientific Challenges ..................................................................................................................................................9 2.1.2 Research Thrusts ........................................................................................................................................................14 2.1.3 References..................................................................................................................................................................20 2.2 PRD 2 — Link Complex Electronic, Electrochemical, and Physical Phenomena Across Time and Space ..................................................................................................................................... 23 2.2.1 Scientific Challenges ............................................................................................................................................... 24 2.2.2 Research Thrusts .......................................................................................................................................................27 2.2.3 References.................................................................................................................................................................. 35 2.3 PRD 3 — Control and Exploit the Complex Interphase Region Formed at Dynamic Interfaces ...........37 2.3.1 Scientific Challenges ............................................................................................................................................... 38 2.3.2 Research Thrusts .......................................................................................................................................................47 2.3.3 References................................................................................................................................................................... 51 2.4 PRD 4 — Revolutionize Energy Storage Performance through Innovative Assemblies of Matter ...... 55 2.4.1 Scientific Challenges ............................................................................................................................................... 55 2.4.2 Research Thrusts ...................................................................................................................................................... 56 2.4.3 References.................................................................................................................................................................. 62 2.5 PRD 5 — Promote Self-healing and Eliminate Detrimental Chemistries to Extend Lifetime and Improve Safety ............................................................................................................................................. 65 2.5.1 Scientific Challenges .............................................................................................................................................. 68 2.5.2 Research Thrusts ...................................................................................................................................................... 69 2.5.4 References...................................................................................................................................................................75 3 Panel Reports for Next Generation Electrical Energy Storage ............................................................................. 77 3.1 Panel 1 Report — Pathways to Simultaneous High Energy and Power ......................................................79 3.1.1 Current Status and Recent Advances .................................................................................................................79 3.1.2 Scientific Challenges and Opportunities .......................................................................................................... 82 3.1.3 Impact ...........................................................................................................................................................................90 3.1.4 References..................................................................................................................................................................90 iii REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP 3.2 Panel 2 Report — Structure, Interphases, and Charge Transfer at Electrochemical Interfaces ........... 93 3.2.1 Current Status and Recent Advances ................................................................................................................ 95 3.2.2 Scientific Challenges and Opportunities .........................................................................................................100 3.2.3 Impact ..........................................................................................................................................................................103 3.2.4 References.................................................................................................................................................................104 3.3 Panel 3 Report — In Pursuit of Long Lifetime and Reliability: Time-Dependent Phenomena at Electrodes and Electrolytes .........................................................................................................................109 3.3.1 Current Status and Recent Advances ...............................................................................................................109 3.3.2 Scientific Challenges and Opportunities ..........................................................................................................