Thursday, March 17, 2016
8:00AM - 8:36AM
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R54.00001: Azobenzene-based Polymers for Solar Thermal Batteries .
Invited Speaker:
Dhandapani Venkataraman
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Thursday, March 17, 2016
8:36AM - 8:48AM
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R54.00002: Lithiation of Ag$_x$MnO$_2$: Insights from first principles
Merzuk Kaltak, Marivi Fernandez-Serra, Mark Hybertsen
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Thursday, March 17, 2016
8:48AM - 9:00AM
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R54.00003: First Principles Investigation of the Geometrical and Electrochemical Properties of Na$_4$P$_2$S$_6$ and Li$_4$P$_2$S$_6$.
Larry E. Rush Jr., N.A.W. Holzwarth
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Thursday, March 17, 2016
9:00AM - 9:12AM
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R54.00004: Quinone Derivatives for Lithium-Ion Batteries: First-Principles Density Functional Theory Modeling
Seung Soon Jang, Ki Chul Kim, Tianyuan Liu, Seung Woo Lee
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Thursday, March 17, 2016
9:12AM - 9:24AM
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R54.00005: Lithiation of $Li_{2}SnO_{3}$ and $Li_{2}SnS_{3}$ in context of Li-ion battery materials
Jason Howard, N. A. W. Holzwarth
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Thursday, March 17, 2016
9:24AM - 9:36AM
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R54.00006: Accelerated materials design of fast oxygen ionic conductors based on first principles calculations
Xingfeng He, Yifei Mo
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Thursday, March 17, 2016
9:36AM - 9:48AM
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R54.00007: TiC2: A New Two-Dimensional Sheet beyond MXenes
Tianshan Zhao, Shunhong Zhang, Yaguang Guo, Qian Wang
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Thursday, March 17, 2016
9:48AM - 10:00AM
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R54.00008: Diffusion of lithium in titanium oxide
Patrick Shea, Jianchao Ye, Brandon Wood, Stanimir Bonev
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Thursday, March 17, 2016
10:00AM - 10:12AM
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R54.00009: Computational modeling of the structure and the ionic conductivity of the solid electrolyte materials Li$_3$AsS$_4$ and its Ge substitutions
Ahmad Al-Qawasmeh, N. A. W. Holzwarth
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Thursday, March 17, 2016
10:12AM - 10:24AM
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R54.00010: Kinetics and Mechanism of Proton Transfer in Molten Lithium Carbonate: Insights from Static and Dynamic DFT Studies
Xueling Lei, Kevin Huang, Changyong Qin
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Thursday, March 17, 2016
10:24AM - 10:36AM
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R54.00011: A formalism for modeling solid electrolyte/electrode interfaces using first principles methods
Nicholas Lepley, Natalie Holzwarth
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Thursday, March 17, 2016
10:36AM - 10:48AM
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R54.00012: Hexagonal BC${_3}$ as a Robust Electrode Material for Li, Na, and K Ion Batteries
Rajendra Joshi, Burak Ozdemir, Juan Peralta, Veronica Barone
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Thursday, March 17, 2016
10:48AM - 11:00AM
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R54.00013: Computational Investigation of Chevrel Phase Cathodes for Ca$^{\mathrm{2+}}$ Ion Batteries
Manuel Smeu
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Thursday, March 17, 2016
11:00AM - 11:12AM
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R54.00014: Investigation of ionic transport in sodium scandium phosphate (NSP) and related compounds
Kaustubh Bhat, Stefan Bl\"ugel, Hans Lustfeld
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Thursday, March 17, 2016
11:12AM - 11:24AM
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R54.00015: Effects on the optical properties of titanium dioxide by doping with sulfur
Jorge Hernandez Zeledon, James Lewis
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