Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 10, Pages 5180-5187Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp412771f
Keywords
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Funding
- Ministry of Education, Culture, Sports, Science and Technology of Japan
- Ministry of Education, Culture, Sports, Science and Technology of Japan [24246107, 25630365]
- Takahashi Industrial and Economic Research Foundation
- KEK [2010G144]
- Grants-in-Aid for Scientific Research [23244068, 25630365, 24656004, 23224009] Funding Source: KAKEN
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Calcium hydroxyapatite (HAp, Ca-10(PO4)(6)(OH)(2)) is the principal inorganic component of bone and teeth, one of the most important bioceramics, and a proton (H+) conductor with potential for energy conversion devices. The proton diffusion pathway in the HAp lattice is a key to understand the proton conduction mechanism and chemical reaction. Previous neutron-diffraction studies of HAp visualized the short-range proton diffusion pathway. In this work, we report the successful visualization of the long-range proton diffusion pathway in stoichiometric HAp at 923, 673, and 298 K through a combined technique of high-temperature neutron diffraction and bond valence method. We have visualized (1) one-dimensional proton diffusional pathways along the c-axis in the hexagonal channel and (2) two-dimensional proton migration pathway network on the ab-planes at z = 0 and 1/2. The proton diffusion and reorientation of hydroxide ions (OH-) are a complex sinusoidal process in the hexagonal channel along the c-axis, which is consistent with the anisotropic nuclear-density distribution of proton obtained by the neutron diffraction and maximum-entropy method.
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