Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate
The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y O improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phe...
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| Veröffentlicht in: | Journal of physical chemistry. C 2023-03, Vol.127 (8), p.4239-4250 |
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| container_title | Journal of physical chemistry. C |
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| creator | Sotelo Martin, Luis E O'Shea, Nicole M Mason, Jeremy K Castro, Ricardo H R |
| description | The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y
O
improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y
was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc
, In
, Y
, and Nd
. The segregation energies were generally proportional to ionic radii, with Y
showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m
for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10
cm
/s and 2.5 × 10
cm
/s, respectively, indicating the coarsening inhibition induced by Y
results from a combination of a reduced driving force (surface energy) and decreased atomic mobility. |
| doi_str_mv | 10.1021/acs.jpcc.2c07353 |
| format | Article |
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O
improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y
was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc
, In
, Y
, and Nd
. The segregation energies were generally proportional to ionic radii, with Y
showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m
for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10
cm
/s and 2.5 × 10
cm
/s, respectively, indicating the coarsening inhibition induced by Y
results from a combination of a reduced driving force (surface energy) and decreased atomic mobility.</description><identifier>ISSN: 1932-7447</identifier><identifier>EISSN: 1932-7455</identifier><identifier>DOI: 10.1021/acs.jpcc.2c07353</identifier><identifier>PMID: 36895659</identifier><language>eng</language><publisher>United States</publisher><ispartof>Journal of physical chemistry. C, 2023-03, Vol.127 (8), p.4239-4250</ispartof><rights>2023 The Authors. Published by American Chemical Society.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c1119-27f4e02898b413723b61303a3a01bb5db5cc9489251fcdae0dc32de7c7110f013</citedby><cites>FETCH-LOGICAL-c1119-27f4e02898b413723b61303a3a01bb5db5cc9489251fcdae0dc32de7c7110f013</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,2765,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/36895659$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Sotelo Martin, Luis E</creatorcontrib><creatorcontrib>O'Shea, Nicole M</creatorcontrib><creatorcontrib>Mason, Jeremy K</creatorcontrib><creatorcontrib>Castro, Ricardo H R</creatorcontrib><title>Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate</title><title>Journal of physical chemistry. C</title><addtitle>J Phys Chem C Nanomater Interfaces</addtitle><description>The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y
O
improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y
was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc
, In
, Y
, and Nd
. The segregation energies were generally proportional to ionic radii, with Y
showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m
for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10
cm
/s and 2.5 × 10
cm
/s, respectively, indicating the coarsening inhibition induced by Y
results from a combination of a reduced driving force (surface energy) and decreased atomic mobility.</description><issn>1932-7447</issn><issn>1932-7455</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNo90EFPwjAUwPHGaATRuyfTuxn2tSvbjgRRSYge0Bi9LN3bKykZHWnHgW8vBOT03uX_kvdj7B7EEISEJ4NxuNogDiWKTGl1wfpQKJlkqdaX5z3NeuwmxpUQWglQ16ynRnmhR7ros-9nim7pqeY_XD3yxTZYg8QXtAy0NJ1rPZ95DGQiRb7oTOUa1-14a_m78S2GXexM0zhP_Nd55ONmu3bedHTLrqxpIt2d5oB9vUw_J2_J_ON1NhnPEwSAIpGZTUnIvMirFFQmVTUCJZRRRkBV6brSiEWaF1KDxdqQqFHJmjLMAITdPzNg4ngXQxtjIFtuglubsCtBlAejcm9UHozKk9E-eTgmm221pvoc_KOoP_8jZCU</recordid><startdate>20230302</startdate><enddate>20230302</enddate><creator>Sotelo Martin, Luis E</creator><creator>O'Shea, Nicole M</creator><creator>Mason, Jeremy K</creator><creator>Castro, Ricardo H R</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230302</creationdate><title>Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate</title><author>Sotelo Martin, Luis E ; O'Shea, Nicole M ; Mason, Jeremy K ; Castro, Ricardo H R</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1119-27f4e02898b413723b61303a3a01bb5db5cc9489251fcdae0dc32de7c7110f013</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Sotelo Martin, Luis E</creatorcontrib><creatorcontrib>O'Shea, Nicole M</creatorcontrib><creatorcontrib>Mason, Jeremy K</creatorcontrib><creatorcontrib>Castro, Ricardo H R</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><jtitle>Journal of physical chemistry. C</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Sotelo Martin, Luis E</au><au>O'Shea, Nicole M</au><au>Mason, Jeremy K</au><au>Castro, Ricardo H R</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate</atitle><jtitle>Journal of physical chemistry. C</jtitle><addtitle>J Phys Chem C Nanomater Interfaces</addtitle><date>2023-03-02</date><risdate>2023</risdate><volume>127</volume><issue>8</issue><spage>4239</spage><epage>4250</epage><pages>4239-4250</pages><issn>1932-7447</issn><eissn>1932-7455</eissn><abstract>The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y
O
improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y
was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc
, In
, Y
, and Nd
. The segregation energies were generally proportional to ionic radii, with Y
showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m
for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10
cm
/s and 2.5 × 10
cm
/s, respectively, indicating the coarsening inhibition induced by Y
results from a combination of a reduced driving force (surface energy) and decreased atomic mobility.</abstract><cop>United States</cop><pmid>36895659</pmid><doi>10.1021/acs.jpcc.2c07353</doi><tpages>12</tpages></addata></record> |
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| title | Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate |
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