Materials for Electrochemical Energy Storage II
FOCUS · Y4 ·
Presentations
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First-principles molecular dynamics simulations of electrochemical reaction s using the ESM method
COFFEE_KLATCH · Invited
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Authors
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Minoru Otani
- National Institute of Advanced Industrial Science and Technology
- Nanosystem Research Institute, AIST
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Ab-Initio Molecular Dynamics Study of the Concentration Dependent Diffusivity of Lithium Ions in Acetonitrile Electrolyte using the van der Waals Density Functional
ORAL
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Authors
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Keith Ray
- Lawrence Livermore National Laboratory
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Zhenxing Wang
- University of Kansas
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Isaak Daniels
- University of Kansas
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David Olmsted
- University of California, Berkeley
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Brian Laird
- University of Kansas
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Mark Asta
- University of California, Berkeley
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A joint \emph{first principles} and ATR-IR study of the vibrational properties of interfacial water at Si(100):H-H$_2$O solid-liquid interfaces
ORAL
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Authors
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Lei Yang
- Max-Planck-Institute for Iron Research
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Stefanie Tecklenburg
- Max-Planck-Institute for Iron Research
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Andreas Erbe
- Max-Planck-Institute for Iron Research
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Stefan Wippermann
- Max-Planck-Institute for Iron Research
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Francois Gygi
- University of California, Davis
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Giulia Galli
- University of Chicago
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High ionic conductivity NASICON based materials for Na-ion batteries: a density functional approach
ORAL
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Authors
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K. M. Bui
- NIMS
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V. A. Dinh
- Osaka Univ.
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S. Okada
- Tsukuba Univ.
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T. Ohno
- NIMS
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Quasielastic neutron backscattering studies of Li-ion dynamics in Li$_{2}$SO$_{4}$ substituted lithium modified phosphate glasses
ORAL
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Authors
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Thomas Heitmann
- University of Missouri
- MURR
- University of Missouri Research Reactor, Columbia
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Gavin Hester
- Missouri State University
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Madhu Tyagi
- National Institute of Standards and Technology
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Munesh Rathore
- Birla Institute of Technology and Science, Pilani
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Anshuman Dalvi
- Birla Institute of Technology and Science, Pilani
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Saibal Mitra
- Missouri State University
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X-ray Scattering Studies of Ionic Liquid Structure and Dynamics at Charged Graphene Interface
ORAL
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Authors
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Ahmet Uysal
- Argonne National Laboratory
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Sang Soo Lee
- Argonne National Laboratory
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Hua Zhou
- Argonne National Laboratory
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Paul Fenter
- Argonne National Laboratory
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Pengfei Zhang
- Oak Ridge National Laboratory
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Sheng Dai
- Oak Ridge National Laboratory
- Chemical Sciences Division, ORNL
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The Electronic Structures and Diffusion Kinetics of Li, Na, and Mg Intercalated TiO$_{2}$ Anatase and TiO$_{2}$ (B)
ORAL
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Authors
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Handan Yildirim
- Purdue University School of Chemical Engineering
- Purdue University
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Jeff Greeley
- Purdue University
- Purdue University School of Chemical Engineering
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Joint Density-Functional Theory for Atomically Detailed Structure of the Electrode/Electrolyte Interface
ORAL
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Authors
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Kendra Letchworth-Weaver
- Department of Physics, Cornell University, Ithaca, NY 14853
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Christine Umbright
- Department of Physics, Cornell University, Ithaca, NY 14853
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Ravishankar Sundararaman
- Department of Physics, Cornell University, Ithaca, NY 14853
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Tomas Arias
- Department of Physics, Cornell University, Ithaca, NY 14853
- Cornell Univ
- Cornell University
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Ab Initio Electrochemical Capacitance Studies of Supercapacitor Materials in Aqueous and Non-Aqueous Electrolytes
ORAL
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Authors
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Christine Umbright
- Department of Physics, Cornell University, Ithaca, NY 14853
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Kendra Letchworth-Weaver
- Department of Physics, Cornell University, Ithaca, NY 14853
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Tomas Arias
- Department of Physics, Cornell University, Ithaca, NY 14853
- Cornell Univ
- Cornell University
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Thermodynamics of alloyed nanoparticles for hydrogen evolution reaction including configurational and adsorbate effects
ORAL
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Authors
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Lin-Lin Wang
- Ames Laboratory, U.S. Department of Energy, Ames, IA 50011
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Teck L. Tan
- Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore 138632, Singapore
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Duane D. Johnson
- Ames Laboratory, U.S. Department of Energy, Ames, IA 50011; Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011
- Ames Laboratory, U.S. Department of Energy at Iowa State University, Ames, Iowa 50011-3020
- Ames Laboratory, Ames, Iowa 500011, USA
- Ames Lab and Iowa State University
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Self-consistent continuum solvation (SCCS): Towards the accurate modeling of electrochemical systems in plane-wave DFT
ORAL
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Authors
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Stephen Weitzner
- The Pennsylvania State University
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Ismaila Dabo
- The Pennsylvania State University
- Pennsylvania State University
- Materials Science Department, Pennsylvania State University
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Fast motif-network scheme for extensive exploration of complex crystal structures in silicate cathodes
ORAL
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Authors
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Kai-Ming Ho
- Iowa State University
- Ames Laboratory
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Xin Zhao
- Iowa State University
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Shunqing Wu
- Xiamen University
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Xiaobao Lv
- University of Science and Technology of China
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Manh Cuong Nguyen
- Iowa State University
- Ames Lab, U.S. DOE and Department of Physics and Astronomy, Iowa State University
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Cai-Zhuang Wang
- Iowa State University
- Ames Laboratory
- Ames Laboratory-USDOE, Iowa State University, Ames, Iowa 50011, USA
- Ames Laboratory and Iowa State University
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Zijing Lin
- University of Science and Technology of China
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Zi-Zhong Zhu
- Xiamen University
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Comparison of electrochemical activity in nanoporous and bulk $\beta $-MnO$_{2}$
ORAL
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Authors
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Phuti Ngoepe
- University of Limpopo, Sovenga, 0727, South Africa
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Thi Sayle
- University of KentCanterbury, CT2 7NZ, UK,
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Dean Sayle
- University of Kent, Canterbury, CT2 7NZ, UK
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