About: Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory

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About: Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory Goto Sponge NotDistinct Permalink

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scholarly article in Physical Review B, vol. 83 no. 7, February 2011

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rdf:type	Item
description	artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована в лютому 2011 (uk) im Februar 2011 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 83 no. 7, February 2011 (en)
publication date	wds:Q58480825-E77E6DB3-CFF6-4452-8833-00A4C4D1B21C
publication date	2011-02-16 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58480825-09F281A4-32E4-43E6-9373-508000D2F28E
language of work or name	English
cites work	wds:Q58480825-05EA2A4B-0E9A-4A38-832C-9C49341E5E56 wds:Q58480825-077A135B-5978-4095-98DC-F9948725D828 wds:Q58480825-078CE2A7-3E93-40A9-BF51-5F4802DB0162 wds:Q58480825-08ED0ED2-E61C-47CD-8D0E-31682FED3BE1 wds:Q58480825-0A5E8197-4CBC-4B81-B846-EB4115A79F62 wds:Q58480825-411E7439-3DEE-4D61-8B51-8BB69B6B2454 wds:Q58480825-47F6461C-607F-4D31-B501-5957D4A61CAA wds:Q58480825-785E2B98-C20A-4422-806F-F7729AF25DF4 wds:Q58480825-8E311DA6-76E6-4C02-AD60-52690871C996 wds:Q58480825-8E9E866D-C3C6-4B6C-8334-08A6D6FCCA04 wds:Q58480825-A091341A-F427-44DC-A848-FB1B5F037929 wds:Q58480825-B27FC9BE-8935-4210-A1FD-7BF0A168D7B3 wds:Q58480825-B48D5781-93F3-4911-A53D-9B3496D60F58 wds:Q58480825-B882155F-8B8F-438F-A3DA-6C8914267077 wds:Q58480825-C5B6BBD3-4FCC-47DF-A17F-33B9ACCF1003 wds:Q58480825-F547A326-3431-473C-8C17-B395A4192232 wds:Q58480825-F5A28D5E-B188-4F23-8C8F-57FE3422539F
cites work	Generalized Gradient Approximation Made Simple Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Electrons in lattice fields Li1.5La1.5MO6 (M = W 6+, Te 6+) as a new series of lithium-rich double perovskites for all-solid-state lithium-ion batteries The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M=Fe, Mn, Co, Ni Band theory and Mott insulators: Hubbard U instead of Stoner I Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries Neutron Diffraction Study of the Magnetic Properties of the Series of Perovskite-Type Compounds [ ( 1 − x ) La , x Ca ] Mn O 3 Screened hybrid density functionals applied to solids. Battery materials for ultrafast charging and discharging Li−Fe−P−O2 Phase Diagram from First Principles Calculations Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds Phase Stability Study of Li[sub 1−x]MnPO[sub 4] (0≤x≤1) Cathode for Li Rechargeable Battery Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations Electronic, Optical, and Magnetic Properties of LiFePO4: Small Magnetic Polaron Effects Small Polaron Hopping in LixFePO4Solid Solutions: Coupled Lithium-Ion and Electron Mobility The electronic structure and band gap of LiFePO4 and LiMnPO4
author name string	wds:Q58480825-61136244-846F-4023-A6FE-09455293E9B3
author name string	Vincent L. Chevrier
rdfs:label	Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (en) Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (nl)
skos:prefLabel	Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (en) Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (nl)
name	Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (en) Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (nl)
author	wds:Q58480825-DBA3F438-B794-4B85-848B-B2C1979A06AE wds:Q58480825-DC81E682-8A6D-4C74-963E-E9AA420055C0
author	Gerbrand Ceder Shyue Ping Ong
title	wds:Q58480825-C9D592E7-5D4A-49FC-A7CB-3BD59CD8CBA5
title	Comparison of small polaron migration and phase separation in olivine LiMnPO4and LiFePO4using hybrid density functional theory (en)
instance of	wds:Q58480825-B1904942-06AF-4B2F-9888-45C67260FC7C
instance of	scholarly article
main subject	wds:Q58480825-2CB41078-BFEE-4774-ABFA-9FA4FD1DCF56 wds:Q58480825-CD2481B1-418A-4E90-81D1-31DBC1539DE6
main subject	density functional theory olivine
published in	wds:Q58480825-179178A6-3686-4952-8CD0-C5CEE4CCA03A
published in	Physical Review B
issue	wds:Q58480825-2C180218-97A9-4BEB-9FD1-F962E00ECAD5
volume	wds:Q58480825-F54E449E-E792-443D-90E8-56C674561695
issue	7
volume	83
DOI	wds:Q58480825-D8346511-79CA-4AB8-87EC-C77EE40D91B9
DOI	http://dx.doi.org/10.1103/PHYSREVB.83.075112
DOI	10.1103/PHYSREVB.83.075112
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58480825
is cites work of	Formation enthalpies by mixing GGA and GGA+Ucalculations Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes. Low hole polaron migration barrier in lithium peroxide High-voltage positive electrode materials for lithium-ion batteries Understanding the stability of MnPO4 Rationalization of the Hubbard U parameter in CeO(x) from first principles: unveiling the role of local structure in screening. Oxygen vacancies enhance pseudocapacitive charge storage properties of MoO3-x. Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO4 over Multiple Lithium Intercalation Hybrid functional study of the NASICON-type Na3V2(PO4)3: crystal and electronic structures, and polaron-Na vacancy complex diffusion. Structural, Transport and Electrochemical Properties of LiFePO₄ Substituted in Lithium and Iron Sublattices (Al, Zr, W, Mn, Co and Ni). First-Principles Investigation of Phase Stability, Electronic Structure and Optical Properties of MgZnO Monolayer Magnetic pyroxenesLiCrGe2O6andLiCrSi2O6: Dimensionality crossover in a nonfrustratedS=32Heisenberg model Microscopic mechanism of biphasic interface relaxation in lithium iron phosphate after delithiation What Happens to LiMnPO4 upon Chemical Delithiation?
is cites work of	wds:Q53137801-C891C0BC-BEB4-4CA4-BBA2-3376D50EA748 wds:Q38624389-1DF572EA-2D7B-4905-837D-14CB2B826A54 wds:Q42224860-045C271B-374F-4CD3-B03D-6D6D11E27CDD wds:Q38329099-35C0151D-8EAC-460B-B940-228E273A072A wds:Q58480791-11340C0B-6C53-436E-B1AC-4A245DA0AEA3 wds:Q58480812-456540AF-786C-47F6-A311-9A563CD52DA8 wds:Q60338667-D27ACB57-C442-4989-97C0-3BCCA412682E wds:Q46051042-AA115A88-3986-4237-AD41-45A08D2A0EA9 wds:Q38691215-E6AF49F0-3F23-4E30-95CE-CAA4B30F2863 wds:Q57557529-DDFC5FD1-257A-4671-91E6-8A2DF9161614 wds:Q61135872-BD2F03BF-82BB-42F1-9DB8-8834E7D6FD9C wds:Q31073442-3F7CB4A0-232E-4115-B56E-47965AE793AF

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