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Title: Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation

Abstract

Environmentally persistent free radicals (EPFRs) have significant environmental and public health impacts. Here, we demonstrate that EPFRs formed on ZnO nanoparticles provide two significant surprises. First, EPR spectroscopy shows that phenoxy radicals form readily on ZnO nanoparticles at room temperature, yielding EPR signals similar to those previously measured after 250°C exposures. Vibrational spectroscopy supports the conclusion that phenoxy-derived species chemisorb to ZnO nanoparticles under both exposure temperatures. Second, DFT calculations indicate that electrons are transferred from ZnO to the adsorbed organic (oxidizing the Zn), the opposite direction proposed by previous descriptions of EPFR formation on metal oxides.

Authors:
 [1];  [2];  [3];  [2];  [3];  [1];  [2]
  1. Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Chemistry
  2. Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy
  3. Dominican Univ. of California, San Rafael, CA (United States). Dept. of Natural Sciences and Mathematics
Publication Date:
Research Org.:
Louisiana State Univ., Baton Rouge, LA (United States)
Sponsoring Org.:
USDOE Office of Science (SC); National Institutes of Health (NIH)
OSTI Identifier:
1463081
Alternate Identifier(s):
OSTI ID: 1397620
Grant/Contract Number:  
SC0012432; P42 ES013648-03; AC0500OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Chemical Physics Letters
Additional Journal Information:
Journal Volume: 670; Journal Issue: C; Journal ID: ISSN 0009-2614
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Patterson, Matthew C., DiTusa, Mark F., McFerrin, Cheri A., Kurtz, R. L., Hall, Randall W., Poliakoff, E. D., and Sprunger, P. T. Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation. United States: N. p., 2016. Web. doi:10.1016/j.cplett.2016.12.061.
Patterson, Matthew C., DiTusa, Mark F., McFerrin, Cheri A., Kurtz, R. L., Hall, Randall W., Poliakoff, E. D., & Sprunger, P. T. Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation. United States. doi:10.1016/j.cplett.2016.12.061.
Patterson, Matthew C., DiTusa, Mark F., McFerrin, Cheri A., Kurtz, R. L., Hall, Randall W., Poliakoff, E. D., and Sprunger, P. T. Sat . "Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation". United States. doi:10.1016/j.cplett.2016.12.061. https://www.osti.gov/servlets/purl/1463081.
@article{osti_1463081,
title = {Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation},
author = {Patterson, Matthew C. and DiTusa, Mark F. and McFerrin, Cheri A. and Kurtz, R. L. and Hall, Randall W. and Poliakoff, E. D. and Sprunger, P. T.},
abstractNote = {Environmentally persistent free radicals (EPFRs) have significant environmental and public health impacts. Here, we demonstrate that EPFRs formed on ZnO nanoparticles provide two significant surprises. First, EPR spectroscopy shows that phenoxy radicals form readily on ZnO nanoparticles at room temperature, yielding EPR signals similar to those previously measured after 250°C exposures. Vibrational spectroscopy supports the conclusion that phenoxy-derived species chemisorb to ZnO nanoparticles under both exposure temperatures. Second, DFT calculations indicate that electrons are transferred from ZnO to the adsorbed organic (oxidizing the Zn), the opposite direction proposed by previous descriptions of EPFR formation on metal oxides.},
doi = {10.1016/j.cplett.2016.12.061},
journal = {Chemical Physics Letters},
number = C,
volume = 670,
place = {United States},
year = {Sat Dec 31 00:00:00 EST 2016},
month = {Sat Dec 31 00:00:00 EST 2016}
}

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