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Title: Computation-Guided Synthetic Strategies for Nanocomposite Electrode Structures Designed to Probe Critical Size Effects on Charge Storage and Transport

Technical Report ·
OSTI ID:1345521
 [1]
  1. Univ. of Minnesota, Minneapolis, MN (United States)
+ Show Author Affiliations

In this project, we developed the materials platform for a new class of cathode materials suitable for lithium deintercalation/reintercalation, based on Li8ZrO6 (LZO), with or without dopant metals.

Research Organization:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0008662
OSTI ID:
1345521
Report Number(s):
Final Report
Country of Publication:
United States
Language:
English

References (8)

Graphene-Supported Nitrogen and Boron Rich Carbon Layer for Improved Performance of Lithium-Sulfur Batteries Due to Enhanced Chemisorption of Lithium Polysulfides journal December 2015
Conduction and Surface Effects in Cathode Materials: Li 8 ZrO 6 and Doped Li 8 ZrO 6 journal May 2016
Mechanism of electrochemical lithiation of a metal-organic framework without redox-active nodes journal May 2016
Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model journal December 2012
Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes journal November 2014
Control of TiO 2 Grain Size and Positioning in Three-Dimensionally Ordered Macroporous TiO 2 /C Composite Anodes for Lithium Ion Batteries journal December 2013
Transition-Metal-Doped M-Li 8 ZrO 6 (M = Mn, Fe, Co, Ni, Cu, Ce) as High-Specific-Capacity Li-Ion Battery Cathode Materials: Synthesis, Electrochemistry, and Quantum Mechanical Characterization journal January 2016
Y-doped Li 8 ZrO 6 : A Li-Ion Battery Cathode Material with High Capacity journal August 2015

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Related Subjects

25 ENERGY STORAGE
36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Lithium ion batteries
electrodes
ortholithium zirconate
titania
metal-organic framework