Journal
CHEMISTRY OF MATERIALS
Volume 24, Issue 11, Pages 2009-2016Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cm203243x
Keywords
carbonophosphate; lithium battery; cathode; hydrothermal; ion-exchange; ab initio; high-throughput
Funding
- Robert Bosch Company
- Umicore
- U.S. Department of Energy [DE-FG02-97ER25308]
- Harvard University though National Science Foundation
- U.S. Department of Energy BATT [DE-AC02-05CH11231]
- National Science Foundation [TG-DMR970008S]
- Department of Energy, Basic Energy Sciences [DE-FG02-96ER45571]
- U.S. Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886]
- National Synchrotron Light Source
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The tremendous growth of Li-ion batteries into a wide variety of applications is setting new requirements in terms of cost, energy density, safety, and power density. One route toward meeting these objectives consists in finding alternative chemistries to current cathode materials. In this Article, we describe a new class of materials discovered through a novel high-throughput ab initio computational approach and which can intercalate lithium reversibly. We report on the synthesis, characterization, and electrochemical testing of this novel lithium-carbonophosphate chemistry. This work demonstrates how the novel high-throughput computing approach can identify promising chemistries for next-generation cathode materials.
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