Simulations for new battery materials
Using first-principles density functional calculations, LiNiO2-related cathode materials are studied. It is found that in contrast to previous studies, the hole state in Li doped NiO shows predominately Ni character and is accompanied by a local Jahn-Teller distortion. We show that this is consisten...
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University of Sheffield
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.566323 |