Transparent Conducting Oxides as Cathodes in Li-O2 Batteries: A First Principles Computational Investigation

Radhakrishnan, Balachandran ; Lawson, John W

关键词: CARBONATES;    CONDUCTORS;    ELECTRIC BATTERIES;    ELECTROCHEMISTRY;    ELECTROLYTES;    ENERGY GAPS (SOLID STATE);    LITHIUM BATTERIES;    OXIDES;    PHASE DIAGRAMS;    STABILITY;    THERMODYNAMICS;    THIN FILMS;    TITANIUM OXIDES;    TRANSPARENCE;   

RP-ID  :  ARC-E-DAA-TN69086

学科分类：工程和技术（综合）

美国|英语

来源: NASA Technical Reports Server

【 摘 要 】

Li-O2 batteries have traditionally used carbon based electrodes (graphite, buckypaper) as the cathode of choice due toits good electrical conductivity, stability against non-aqueous electrolytes like dimethoxyethane (DME) and ease ofhandling. But, the carbon cathode also leads to formation of carbonate by-products that increase overpotentials duringcharging leading to degradation of the cathode and reduction of cyclability. Recent investigations have focused on using metal-oxides like SnO2, TiO2 as viable cathodes-alternatives in Li-O2 systems. In this paper, we investigate transparent conducting oxides (TCOs) as cathodes with focus on the interface between the TCO surfaces and the discharge product, Li2O2, in the Li-O2 battery using first principles computations.