Advanced Energy Materials · 2018 · 491 citations · 37 references
Natural SciencesMaterials EngineeringMaterials ScienceElectrochemistryEnergy MaterialsMaterials ChemistryBattery MaterialsBattery TechnologyCathode MaterialsDopingElectrode MaterialsEnergy Storage MaterialsChemical Surface ModificationCycling StabilityDischarge CapacityLithium-ion Battery Cathode MaterialsLithium-ion Battery Electrodes Based On Metal OxidesMicrostructureSurface Energy ModificationTextured Materials
Abstract Boron‐doped Li[Ni 0.90 Co 0.05 Mn 0.05 ]O 2 cathodes are synthesized by adding B 2 O 3 during the lithiation of the hydroxide precursor. Density functional theory confirms that boron doping at a level as low as 1 mol% alters the surface energies to produce a highly textured microstructure that can partially relieve the intrinsic internal strain generated during the deep charging of Li[Ni 0.90 Co 0.05 Mn 0.05 ]O 2 . The 1 mol% B‐Li[Ni 0.90 Co 0.05 Mn 0.05 ]O 2 cathode thus delivers a discharge capacity of 237 mAh g −1 at 4.3 V, with an outstanding capacity retention of 91% after 100 cycles at 55 °C, which is 15% higher than that of the undoped Li[Ni 0.90 Co 0.05 Mn 0.05 ]O 2 cathode. This proposed synthesis strategy demonstrates that an optimal microstructure exists for extending the cycle life of Ni‐rich Li[Ni 1‐ x ‐ y Co x Mn y ]O 2 cathodes that have an inadequate cycling stability in electric vehicle applications and indicates that an optimal microstructure can be achieved through surface energy modification.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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