X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures
Abstract
High-pressure X-ray diffraction of PdHx and PdDx demonstrates that these materials remain in a face-centered cubic (fcc, $$Fm\bar{3m}$$) structure to megabar pressures at room temperature. The volumes indicate stoichiometric compositions under pressure with x = 1 for both materials. No indication of any phase transition was observed up to the highest pressures reached in the experiments. A third-order Birch–Murnaghan equation of state used to fit the pressure–volume data gives V0 = 10.73 (±0.03) cm3/mol, K0 = 147 (±11) GPa, and K0' = 4.7 (±0.5), whereas a Vinet fit gives V0 = 10.74 (±0.03) cm3/mol, K0 = 143 (±11) GPa, and K0' = 5.1 (±0.5), for the combined data for both PdHx and PdDx. Here, the results are used to obtain the pressure dependence of the effective volume of H and D atoms in PdHx and PdDx to megabar pressures for comparison with other simple hydrides with implications for superconductivity in this class of materials.
- Authors:
-
[3];
[4]
- Whitworth Univ., Spokane, WA (United States); Carnegie Inst. of Washington, Washington, D.C. (United States)
- Carnegie Inst. of Washington, Washington, D.C. (United States)
- Carnegie Inst. of Washington, Argonne, IL (United States)
- The George Washington Univ., Washington, D.C. (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1419041
- Grant/Contract Number:
- AC02-06CH11357; NA0002006; SC0001057
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 49; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; palladium; hydrogen; physical and chemical processes; anions; materials
Citation Formats
Brownsberger, Keenan, Ahart, Muhtar, Somayazulu, Maddury, Park, Changyong, Gramsch, Stephen A., and Hemley, Russell J.. X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures. United States: N. p., 2017.
Web. doi:10.1021/acs.jpcc.7b09290.
Brownsberger, Keenan, Ahart, Muhtar, Somayazulu, Maddury, Park, Changyong, Gramsch, Stephen A., & Hemley, Russell J.. X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures. United States. https://doi.org/10.1021/acs.jpcc.7b09290
Brownsberger, Keenan, Ahart, Muhtar, Somayazulu, Maddury, Park, Changyong, Gramsch, Stephen A., and Hemley, Russell J.. Wed .
"X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures". United States. https://doi.org/10.1021/acs.jpcc.7b09290. https://www.osti.gov/servlets/purl/1419041.
@article{osti_1419041,
title = {X-ray Diffraction, Lattice Structure, and Equation of State of PdHx and PdDx to Megabar Pressures},
author = {Brownsberger, Keenan and Ahart, Muhtar and Somayazulu, Maddury and Park, Changyong and Gramsch, Stephen A. and Hemley, Russell J.},
abstractNote = {High-pressure X-ray diffraction of PdHx and PdDx demonstrates that these materials remain in a face-centered cubic (fcc, $Fm\bar{3m}$) structure to megabar pressures at room temperature. The volumes indicate stoichiometric compositions under pressure with x = 1 for both materials. No indication of any phase transition was observed up to the highest pressures reached in the experiments. A third-order Birch–Murnaghan equation of state used to fit the pressure–volume data gives V0 = 10.73 (±0.03) cm3/mol, K0 = 147 (±11) GPa, and K0' = 4.7 (±0.5), whereas a Vinet fit gives V0 = 10.74 (±0.03) cm3/mol, K0 = 143 (±11) GPa, and K0' = 5.1 (±0.5), for the combined data for both PdHx and PdDx. Here, the results are used to obtain the pressure dependence of the effective volume of H and D atoms in PdHx and PdDx to megabar pressures for comparison with other simple hydrides with implications for superconductivity in this class of materials.},
doi = {10.1021/acs.jpcc.7b09290},
journal = {Journal of Physical Chemistry. C},
number = 49,
volume = 121,
place = {United States},
year = {2017},
month = {11}
}
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Works referencing / citing this record:
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