Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations

[1]  Guoying Chen Thermal Instability of Olivine-Type LiMnP04 Cathodes , 2010 .

[2]  Lei Wang,et al.  Li−Fe−P−O2 Phase Diagram from First Principles Calculations , 2008 .

[3]  A. Amir,et al.  印加電場の下での炭素ナノチューブ懸濁体における分極,エネルギー特性と電気レオロジー 厳密な数値法 , 2008 .

[4]  Jaephil Cho,et al.  Microstructure of LiCoO2 with and without “AlPO4” Nanoparticle Coating: Combined STEM and XPS Studies , 2007 .

[5]  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 .

[6]  Xiaoqun Wang,et al.  Field-induced midgap edge excitations in quantum spin chains , 2006 .

[7]  Jean-Marie Tarascon,et al.  The existence of a temperature-driven solid solution in LixFePO4 for 0 ≤ x ≤ 1 , 2005 .

[8]  Gerbrand Ceder,et al.  THE LI INTERCALATION POTENTIAL OF LIMPO4 AND LIMSIO4 OLIVINES WITH M = FE, MN, CO, NI , 2004 .

[9]  Jaephil Cho,et al.  Correlation between AlPO4 nanoparticle coating thickness on LiCoO2 cathode and thermal stability , 2003 .

[10]  Peter Y. Zavalij,et al.  Reactivity, stability and electrochemical behavior of lithium iron phosphates , 2002 .

[11]  M. W. Chase NIST-JANAF thermochemical tables , 1998 .

[12]  K. S. Nanjundaswamy,et al.  Phospho‐olivines as Positive‐Electrode Materials for Rechargeable Lithium Batteries , 1997 .

[13]  A. Lichtenstein,et al.  First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .

[14]  K. Burke,et al.  Rationale for mixing exact exchange with density functional approximations , 1996 .

[15]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[16]  J. Board,et al.  Ewald summation techniques in perspective: a survey , 1996 .

[17]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[18]  D. Ilten,et al.  Basic principles of ligand field theory , 1969 .