Li-site and metal-site ion doping in phosphate-olivine liCoPO by first-principles calculation
Chinese Physics Letters, ISSN: 1741-3540, Vol: 26, Issue: 3
2009
- 11Citations
- 8Captures
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Article Description
We present a first-principles investigation of the crystal and electronic structure as well as the average insertion voltage of the Li-site (by Na and Cr) and metal-site (by isovalent Ni, Zn, Ca, Mg and Mn and aliovalent Cu, Al, In, Mo and Zr) doped LiCoPO. The results show that both the Li-site doping and metal-site doping may reduce the volume change of the material during Li extraction/reinsertion process. The metal doped at Li-site will block the path of Li ion diffusion. The doping by aliovalent transition metals will introduce defect levels in the energy band. It could influence the conductivity insertion voltage. © 2009 Chinese Physical Society and IOP Publishing Ltd.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=66149111811&origin=inward; http://dx.doi.org/10.1088/0256-307x/26/3/038202; https://iopscience.iop.org/article/10.1088/0256-307X/26/3/038202; https://iopscience.iop.org/article/10.1088/0256-307X/26/3/038202/pdf; https://dx.doi.org/10.1088/0256-307x/26/3/038202; https://validate.perfdrive.com/9730847aceed30627ebd520e46ee70b2/?ssa=e29a0758-c07d-4ffd-93f6-7c75037f587d&ssb=67559227137&ssc=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F0256-307X%2F26%2F3%2F038202&ssi=deec7c4c-cnvj-485e-adfa-f843f026a3d3&ssk=botmanager_support@radware.com&ssm=319707548822709255308450526346938028&ssn=0b2642fb723574c4efd7733ba5e3612d173b0900c3c4-8990-4f21-a0aa33&sso=33c3ef8c-bc564dd29dea9aae28ccbcbc62da854f3bee0cfec915dcdd&ssp=98041126211726542631172681724305074&ssq=84217213942542593418729239372731124316006&ssr=NTIuMy4yMTcuMjU0&sst=com.plumanalytics&ssu=&ssv=&ssw=&ssx=eyJ1em14IjoiN2Y5MDAwMGMxZDc2YmItMzk2MS00N2VjLTlkZGItNjdmYTVhZTY2ODdlNS0xNzI2NTI5MjM5NDUzMzEwMTg2MjYyLTZlZDk4MjdlZjliZTM3ZTQ1MzA2NjgiLCJfX3V6bWYiOiI3ZjYwMDBkNzYzNGE3Ni05ZTRkLTRjMmMtYjJhMC1mYzAzNGMyZjE1MjkxNzI2NTI5MjM5NDUzMzEwMTg2MjYyLTFhMjhmMDc3MjVjYzM5MzQ1MzA3MTYiLCJyZCI6ImlvcC5vcmcifQ==
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