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 Theoretical Calculation of an IntermediateTemperature H+/Li+ Conducting Electrolyte: Li14Zn(GeO4)4(PDF)

MATERIALS CHINA[ISSN:1674-3962/CN:61-1473/TG]

Issue:
2017年第9期
Page:
31-35
Research Field:
前沿综述
Publishing date:

Info

Title:
 Theoretical Calculation of an IntermediateTemperature H+/Li+ Conducting Electrolyte: Li14Zn(GeO4)4
Author(s):
LI Yining WEI Tao
School of Material Science and Engineering, University of Jinan
Keywords:
SOFCs low and intermediate temperature lithium ion conduct proton conduct mechanism of Li+/H+ exchange
CLC:

PACS:
-
DOI:
10.7502/j.issn.1674-3962.2017.09.07
DocumentCode:

Abstract:
SOFCs can convert chemical energy directly to electric energy efficiently with minimum emissions. Unfortunately, the existing SOFC technologies are still too expensive for commercial use due to the high operating temperature. A critical step toward low-cost SOFC technologies is to develop materials with high conductivity of oxygen ions or protons (O2- or H+) at lower temperatures. Li+ in some lithium ion conductors can be replaced by H+ through a reversible ion-exchange (even just in water solution), implying that it is possible to turn a lithium-ion conductor to a proton conductor by H+/Li+ exchange. Here we demonstrate that Li14Zn(GeO4)4 (LZG) exhibits not only lithium ion (for LIBs) but also protons (for SOFCs). In order to elucidate the mechanism of Li+ and H+ conduction in LSZG electrolyte, abinitio molecular dynamics computation was used to investigate Li+ and H+ transport trajectories,the diffusivity and the electronic density of states (e-DOS) for each type of ions in Li14Zn(GeO4)4. And in turn, the obtained calculating data can guide future design for 200~600 ℃ based proton conductor.

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Last Update: 2017-10-16