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Title: Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper

Using synchrotron-based ambient-pressure X-ray photoelectron spectroscopy, we report the tuning of the deoxygenation process of bulk dissolved oxygen in copper via a combination of H 2 gas flow and elevated temperature. Here, we show that a critical temperature of ~580 °C exists for driving segregation of bulk dissolved oxygen to form chemisorbed oxygen on the Cu surface, which subsequently reacts with hydrogen to form OH species and then H 2O molecules that desorb from the surface. This deoxygenation process is tunable by a progressive stepwise increase of temperature that results in surface segregation of oxygen from deeper regions of bulk Cu. Using atomistic simulations, we show that the bulk-dissolved oxygen occupies octahedral sites of the Cu lattice and the deoxygenation process involves oxygen migration between octahedral and tetrahedral sites with a diffusion barrier of ~0.5 eV.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ; ORCiD logo [1]
  1. State Univ. of New York at Binghamton, NY (United States)
  2. Univ. at Buffalo, NY (United States). Dept. of Physics
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
Publication Date:
Report Number(s):
BNL-207807-2018-JAAM
Journal ID: ISSN 1932-7447
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 122; Journal Issue: 15; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY
OSTI Identifier:
1459172

Li, Chaoran, Zhang, Peihong, Wang, Jianyu, Boscoboinik, Jorge Anibal, and Zhou, Guangwen. Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper. United States: N. p., Web. doi:10.1021/acs.jpcc.7b12030.
Li, Chaoran, Zhang, Peihong, Wang, Jianyu, Boscoboinik, Jorge Anibal, & Zhou, Guangwen. Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper. United States. doi:10.1021/acs.jpcc.7b12030.
Li, Chaoran, Zhang, Peihong, Wang, Jianyu, Boscoboinik, Jorge Anibal, and Zhou, Guangwen. 2018. "Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper". United States. doi:10.1021/acs.jpcc.7b12030.
@article{osti_1459172,
title = {Tuning the Deoxygenation of Bulk-Dissolved Oxygen in Copper},
author = {Li, Chaoran and Zhang, Peihong and Wang, Jianyu and Boscoboinik, Jorge Anibal and Zhou, Guangwen},
abstractNote = {Using synchrotron-based ambient-pressure X-ray photoelectron spectroscopy, we report the tuning of the deoxygenation process of bulk dissolved oxygen in copper via a combination of H2 gas flow and elevated temperature. Here, we show that a critical temperature of ~580 °C exists for driving segregation of bulk dissolved oxygen to form chemisorbed oxygen on the Cu surface, which subsequently reacts with hydrogen to form OH species and then H2O molecules that desorb from the surface. This deoxygenation process is tunable by a progressive stepwise increase of temperature that results in surface segregation of oxygen from deeper regions of bulk Cu. Using atomistic simulations, we show that the bulk-dissolved oxygen occupies octahedral sites of the Cu lattice and the deoxygenation process involves oxygen migration between octahedral and tetrahedral sites with a diffusion barrier of ~0.5 eV.},
doi = {10.1021/acs.jpcc.7b12030},
journal = {Journal of Physical Chemistry. C},
number = 15,
volume = 122,
place = {United States},
year = {2018},
month = {4}
}