title: Accelerated Removal of Fe-Antisite Defects while Nanosizing Hydrothermal LiFePO4 with Ca(2).
abstract: Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon-coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.
authors.affiliation: IREQ-Institute Recherche d'Hydro-Québec , 1800 Boulevard Lionel Boulet, Varennes, QC J3X 1S1, Canada.
authors.forename: Andrea
authors.initials: A
authors.lastname: Paolella
authors.affiliation: EMAT, University of Antwerp , Groenenborgerlaan 171, BE 2020, Antwerp, Belgium.
authors.forename: Stuart
authors.initials: S
authors.lastname: Turner
authors.affiliation: IMEM-CNR , Parco Area delle Scienze 37/A, 43124 Parma, Italy.
authors.forename: Giovanni
authors.initials: G
authors.lastname: Bertoni
authors.affiliation: IREQ-Institute Recherche d'Hydro-Québec , 1800 Boulevard Lionel Boulet, Varennes, QC J3X 1S1, Canada.
authors.forename: Pierre
authors.initials: P
authors.lastname: Hovington
authors.affiliation: National Research Council of Canada, Chalk River Laboratories , Chalk River, Ontario K0J 1J0, Canada.
authors.forename: Roxana
authors.initials: R
authors.lastname: Flacau
authors.affiliation: National Research Council of Canada, Chalk River Laboratories , Chalk River, Ontario K0J 1J0, Canada.
authors.forename: Chad
authors.initials: C
authors.lastname: Boyer
authors.affiliation: IREQ-Institute Recherche d'Hydro-Québec , 1800 Boulevard Lionel Boulet, Varennes, QC J3X 1S1, Canada.
authors.forename: Zimin
authors.initials: Z
authors.lastname: Feng
authors.affiliation: Istituto Italiano di Tecnologia , via Morego 30, 16130 Genova, Italy.
authors.forename: Massimo
authors.initials: M
authors.lastname: Colombo
authors.affiliation: Istituto Italiano di Tecnologia , via Morego 30, 16130 Genova, Italy.
authors.forename: Sergio
authors.initials: S
authors.lastname: Marras
authors.affiliation: Istituto Italiano di Tecnologia , via Morego 30, 16130 Genova, Italy.
authors.forename: Mirko
authors.initials: M
authors.lastname: Prato
authors.affiliation: Istituto Italiano di Tecnologia , via Morego 30, 16130 Genova, Italy.
authors.forename: Liberato
authors.initials: L
authors.lastname: Manna
authors.affiliation: IREQ-Institute Recherche d'Hydro-Québec , 1800 Boulevard Lionel Boulet, Varennes, QC J3X 1S1, Canada.
authors.forename: Abdelbast
authors.initials: A
authors.lastname: Guerfi
authors.affiliation: Mining and Materials Engineering Department, McGill University , Wong Building, 3610 University Street, Montreal. QC H3A 0C5, Canada.
authors.forename: George P
authors.initials: GP
authors.lastname: Demopoulos
authors.affiliation: CIC energigune-Parque Tecnólogico , C/Albert Einstein 48, CP 01510 Miñano, Alava, Spain.
authors.forename: Michel
authors.initials: M
authors.lastname: Armand
authors.affiliation: IREQ-Institute Recherche d'Hydro-Québec , 1800 Boulevard Lionel Boulet, Varennes, QC J3X 1S1, Canada.
authors.forename: Karim
authors.initials: K
authors.lastname: Zaghib
mesh_terms: D002118:Calcium / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D018020:Lithium Compounds / Q000737:chemistry*; D053758:Nanoparticles / Q000737:chemistry* / Q000648:ultrastructure; D010710:Phosphates / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D018020:Lithium Compounds; D010710:Phosphates; D007501:Iron; D002118:Calcium
keywords: Antisite; LiFePO4; calcium; defects; hydrothermal; surface