Kinetically Controlled Lithium-Staging in Delithiated LiFePO4 Driven by the Fe Center Mediated Interlayer Li–Li Interactions
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Xia Lu | Ruijuan Xiao | Xuejie Huang | Yang Sun | Hong Li | Xuejie Huang | Ruijuan Xiao | Xia Lu | Yang Sun | Hong Li
[1] Rahul Malik,et al. Kinetics of non-equilibrium lithium incorporation in LiFePO4. , 2011, Nature materials.
[2] Byoungwoo Kang,et al. Battery materials for ultrafast charging and discharging , 2009, Nature.
[3] Yuki Yamada,et al. Kinetics of Nucleation and Growth in Two-Phase Electrochemical Reaction of LixFePO4 , 2012 .
[4] Craig A. J. Fisher,et al. Lithium Battery Materials LiMPO4 (M = Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior , 2008 .
[5] Takashi Ida,et al. Isolation of Solid Solution Phases in Size‐Controlled LixFePO4 at Room Temperature , 2009 .
[6] J. Bai,et al. In Situ Hydrothermal Synthesis of LiFePO4 Studied by Synchrotron , 2011 .
[7] Chunsheng Wang,et al. Galvanostatic Intermittent Titration Technique for Phase-Transformation Electrodes , 2010 .
[8] Yong‐Sheng Hu,et al. Phase transformation and lithiation effect on electronic structure of Li(x)FePO4: an in-depth study by soft X-ray and simulations. , 2012, Journal of the American Chemical Society.
[9] Anton Van der Ven,et al. Nondilute diffusion from first principles: Li diffusion in Li x TiS 2 , 2008 .
[10] John O. Thomas,et al. The source of first-cycle capacity loss in LiFePO4 , 2001 .
[11] Krishna Garikipati,et al. The Role of Coherency Strains on Phase Stability in LixFePO4: Needle Crystallites Minimize Coherency Strain and Overpotential , 2009 .
[12] J. L. Dodd,et al. Phase Diagram of Li x FePO4 , 2006 .
[13] K. S. Nanjundaswamy,et al. Phospho‐olivines as Positive‐Electrode Materials for Rechargeable Lithium Batteries , 1997 .
[14] Hsiao-Ying Shadow Huang,et al. Strain Accommodation during Phase Transformations in Olivine‐Based Cathodes as a Materials Selection Criterion for High‐Power Rechargeable Batteries , 2007 .
[15] Damian Burch,et al. Size-dependent spinodal and miscibility gaps for intercalation in nanoparticles. , 2009, Nano letters.
[16] T. E. Thompson,et al. Graphite Intercalation Compounds , 1978 .
[17] Shyue Ping Ong,et al. Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds , 2010 .
[18] Charles Delacourt,et al. Study of the LiFePO4/FePO4 Two-Phase System by High-Resolution Electron Energy Loss Spectroscopy , 2006 .
[19] Martin Z. Bazant,et al. Intercalation dynamics in rechargeable battery materials : General theory and phase-transformation waves in LiFePO4 , 2008 .
[20] C. Delmas,et al. Lithium deintercalation in LiFePO4 nanoparticles via a domino-cascade model. , 2008, Nature materials.
[21] Gerbrand Ceder,et al. Ab initio study of the migration of small polarons in olivine Li x FePO 4 and their association with lithium ions and vacancies , 2006 .
[22] W. Craig Carter,et al. Size-Dependent Lithium Miscibility Gap in Nanoscale Li1 − x FePO4 , 2007 .
[23] Lin Gu,et al. Direct observation of lithium staging in partially delithiated LiFePO4 at atomic resolution. , 2011, Journal of the American Chemical Society.
[24] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[25] Liquan Chen,et al. First-principles study of Li ion diffusion in LiFePO4 , 2004 .
[26] Marnix Wagemaker,et al. Dynamic solubility limits in nanosized olivine LiFePO4. , 2011, Journal of the American Chemical Society.
[27] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[28] J. Bhattacharya,et al. Understanding Li diffusion in Li-intercalation compounds. , 2013, Accounts of Chemical Research.
[29] Tsutomu Ohzuku,et al. Formation of Lithium‐Graphite Intercalation Compounds in Nonaqueous Electrolytes and Their Application as a Negative Electrode for a Lithium Ion (Shuttlecock) Cell , 1993 .
[30] Karim Zaghib,et al. Electronic, Optical, and Magnetic Properties of LiFePO 4 : Small Magnetic Polaron Effects , 2007 .
[31] C. Ouyang,et al. Lithium ion diffusion in Li4+xTi5O12: From ab initio studies , 2011 .
[32] Chunsheng Wang,et al. Strain accommodation and potential hysteresis of LiFePO4 cathodes during lithium ion insertion/extraction , 2011 .
[33] Gerbrand Ceder,et al. The electronic structure and band gap of LiFePO4 and LiMnPO4 , 2004, cond-mat/0506125.
[34] M. Islam,et al. Anti-Site Defects and Ion Migration in the LiFe0.5Mn0.5PO4 Mixed-Metal Cathode Material† , 2010 .
[35] Linda F. Nazar,et al. Positive Electrode Materials for Li-Ion and Li-Batteries† , 2010 .
[36] Lin Gu,et al. Highly ordered staging structural interface between LiFePO4 and FePO4. , 2012, Physical chemistry chemical physics : PCCP.
[37] Lin Gu,et al. Lithium Storage in Li4Ti5O12 Spinel: The Full Static Picture from Electron Microscopy , 2012, Advanced materials.
[38] Montse Casas-Cabanas,et al. Room-temperature single-phase Li insertion/extraction in nanoscale Li(x)FePO4. , 2008, Nature materials.
[39] M. Armand,et al. Building better batteries , 2008, Nature.
[40] Matteo Cococcioni,et al. Towards more accurate First Principles prediction of redox potentials in transition-metal compounds with LDA+U , 2004, cond-mat/0406382.
[41] Daniel A. Cogswell,et al. Suppression of phase separation in LiFePO₄ nanoparticles during battery discharge. , 2011, Nano letters.
[42] Gerbrand Ceder,et al. First-principles theory of ionic diffusion with nondilute carriers , 2001 .
[43] Linda F Nazar,et al. Proof of intercrystallite ionic transport in LiMPO(4) electrodes (M = Fe, Mn). , 2009, Journal of the American Chemical Society.
[44] Wolfgang Dreyer,et al. The thermodynamic origin of hysteresis in insertion batteries. , 2010, Nature materials.
[45] B. Xu,et al. Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods , 2010 .
[46] Daniel A. Cogswell,et al. Coherency strain and the kinetics of phase separation in LiFePO4 nanoparticles. , 2011, ACS nano.
[47] Tomoyuki Hamada,et al. Formation and diffusion of vacancy-polaron complex in olivine-type LiMnPO 4 and LiFePO 4 , 2011 .
[48] J. Zaanen,et al. Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators. , 1995, Physical review. B, Condensed matter.
[49] Dane Morgan,et al. Li Conductivity in Li x MPO 4 ( M = Mn , Fe , Co , Ni ) Olivine Materials , 2004 .
[50] S. Pennycook,et al. Vacancy-driven anisotropic defect distribution in the battery-cathode material LiFePO4. , 2011, Physical review letters.
[51] L. Nazar,et al. Small polaron hopping in Li(x)FePO4 solid solutions: coupled lithium-ion and electron mobility. , 2006, Journal of the American Chemical Society.
[52] M. Alouani,et al. Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO , 2000 .
[53] M. Wagemaker,et al. A Kinetic Two‐Phase and Equilibrium Solid Solution in Spinel Li4+xTi5O12 , 2006 .
[54] Yoyo Hinuma,et al. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations , 2010 .
[55] Gerbrand Ceder,et al. THE LI INTERCALATION POTENTIAL OF LIMPO4 AND LIMSIO4 OLIVINES WITH M = FE, MN, CO, NI , 2004 .
[56] Ying Shirley Meng,et al. First principles computational materials design for energy storage materials in lithium ion batteries , 2009 .
[57] Thomas J. Richardson,et al. Electron Microscopy Study of the LiFePO4 to FePO4 Phase Transition , 2006 .
[58] A. Yamada,et al. Experimental visualization of lithium diffusion in LixFePO4. , 2008, Nature materials.
[59] Nathalie Ravet,et al. Electroactivity of natural and synthetic triphylite , 2001 .
[60] Peter R. Slater,et al. Atomic-Scale Investigation of Defects, Dopants, and Lithium Transport in the LiFePO4 Olivine-Type Battery Material , 2005 .
[61] John O. Thomas,et al. Lithium extraction/insertion in LiFePO4: an X-ray diffraction and Mossbauer spectroscopy study , 2000 .
[62] G. Henkelman,et al. A climbing image nudged elastic band method for finding saddle points and minimum energy paths , 2000 .
[63] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[64] G. Henkelman,et al. Calculations of Li-Ion Diffusion in Olivine Phosphates , 2011 .
[65] Masao Yonemura,et al. Room-temperature miscibility gap in LixFePO4 , 2006, Nature materials.
[66] L. Nazar,et al. Nano-network electronic conduction in iron and nickel olivine phosphates , 2004, Nature materials.
[67] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[68] Gerbrand Ceder,et al. Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxides: The Case of Li$_x$FePO$_4$ , 2006 .
[69] Venkat Srinivasan,et al. Discharge Model for the Lithium Iron-Phosphate Electrode , 2004 .