@article{oai:tsukuba.repo.nii.ac.jp:00039771,
 author = {岡田, 晋 and Bui, Kieu My and Dinh, Van An and Okada, Susumu and Ohno, Takahisa},
 issue = {39},
 journal = {Physical chemistry, chemical physics : PCCP},
 month = {Oct},
 note = {Based on density functional theory, we have systematically studied the crystal and electronic structures, and the diffusion mechanism of the NASICON-type solid electrolyte Na3Zr2Si2PO12. Four possible elementary processes are addressed: three inner-chain and one inter-chain processes. In inner-chain processes, Na tends to move inside the Na diffusion chain, while Na moves across the Na diffusion chain in the inter-chain process. The activation energies for the inner-chain and inter-chain processes are 230 meV and 260 meV, respectively. By combining possible elementary processes, three preferable pathways along a, b, and c directions are found.},
 pages = {27226--27231},
 title = {Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study},
 volume = {18},
 year = {2016}
}