Robert Bartynski, Rutgers University

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Jordi Cabana, Lawrence Berkeley National Laboratory

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Peter Chupas, Argonne National Laboratory

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Research interests and expertise includes battery materials; nanoparticles; pair distribution function analysis; high-energy X-ray scattering; in-situ studies under non-ambient conditions; X-ray and neutron powder diffraction; single-crystal diffuse scattering.

Frederic Cosandey, Rutgers University

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Nanoscale structural and chemical characterization of electrode materials by high resolution electron microscopy and diffraction. Chemical and valence state mapping by combined scanning transmission electron microscopy (STEM) imaging and electron energy loss spectroscopy (EELS).

Stephen Garofalini, Rutgers University

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We will perform molecular dynamics simulations of Li ion transport and diffusion and transformation reactions in the Fe-containing systems relevant to the conversion materials being studied in the Center. We will develop and implement variable charge potentials for this work, using input from techniques developed by others in the Center, enabling us to provide larger scale behavior of these complex systems and reactions.

Peter Khalifah, Stony Brook University

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Materials discovery and synthesis, crystal growth, magnetic and electronic characterization, x-ray and neutron scattering

Shirley Meng, University of California, San Diego

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Research focuses on the field of energy storage and conversion materials: nano structured electrodes for advanced rechargeable batteries, and combining first principles computation with high-skilled experiments for rational materials design and optimization for energy applications.

Katsuyo Thornton, University of Michigan

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Investigate the effects of phase transformation and microstructures on electrochemistry in battery materials by applying computational and theoretical approaches. These investigations facilitate the understanding of the underlying physics of materials, guide experiments, and ultimately aid us in designing high performance battery materials.

Anton Van der Ven, University of Michigan

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Combines first principles electronic structure methods with statistical mechanical techniques to predict thermodynamic and kinetic properties of Li-insertion compounds. A particular focus is on the prediction of non-dilute diffusion coefficients in intercalation compounds as well as compounds that undergo conversion and displacement reactions. A second focus is on linking electronic structure to phase transformation mechanisms in insertion compounds.

Xiao-Qing Yang, Brookhaven National Laboratory

Structural characterization of electrode materials for lithium batteries by using synchrotron based in situ and ex situ x-ray absorption (XAS) and diffraction (XRD) techniques. Development of new electrolyte materials and electrolyte systems for lithium batteries and supercapacitors.