INFIQC   05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Computer modeling of materials for li-ion batteries anode
Autor/es:
LEIVA EZEQUIEL; OTERO MANUEL; ROBLEDO CARLA; REINAUDI LUIS; LUQUE GUILLERMINA; BARRACO DANIEL; CÁMARA OSVALDO; ROJAS MARIANA
Lugar:
Lausanne
Reunión:
Congreso; 65 reunión anual de la Sociedad Internacional de Electroquímica; 2014
Institución organizadora:
Sociedad Internacional de Electroquímica
Resumen:
First-principles study of the lithiation of graphite oxides with low oxygen content, which resemble reduced graphite oxide materials. The chemical nature of the Li structure formed is analysed, leading to the conclusion that the nature of lithium binding in these materials is completely different from that observed in pristine graphite. The stability of the lithium structures formed under different loadings is studied, with the finding that the lithiation potentials predicted are within the ranges of the values observed experimentally.