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Title: 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:
 [1];  [2];  [2]; ORCiD logo [3];  [4]; ORCiD logo [4]
  1. Whitworth Univ., Spokane, WA (United States); Carnegie Inst. of Washington, Washington, D.C. (United States)
  2. Carnegie Inst. of Washington, Washington, D.C. (United States)
  3. Carnegie Inst. of Washington, Argonne, IL (United States)
  4. 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. https://doi.org/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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