Effect of oxygen vacancies on Li-storage of anatase $$\hbox {TiO}2$$ TiO 2 (001) facets: a first principles study
Source abstract
Abstract
Effect of oxygen vacancies on Li-storage of anatase (hbox {TiO}2) (001) facets was stimulated by density functional theory (DFT). The lattice parameters, adsorbed energy and energy barriers of (hbox {TiO}2) with oxygen vacancies were calculated. High adsorption energy of 5.91 eV for Li atoms indicates that oxygen vacancies have a positive effect on the Li storage of nanostructured anatase (hbox {TiO}2). The theoretical capacity was enhanced by an extra Li atom storaged at the oxygen vacancies.
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Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Photocatalysis Techniques · TiO2 Photocatalysis and Solar Cells
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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