Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study
Oxygen vacancies in ZnO crystals have significant impacts on its properties and applications. On the basis of ab initio results, we describe the oxygen vacancy distribution and diffusion paths away from the ZnO( 1 1 ¯ 00 ) surface, aiming to elucidate thermodynamics and kinetic stability of the vaca...
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| Veröffentlicht in: | Journal of applied physics 2016-09, Vol.120 (12) |
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| container_title | Journal of applied physics |
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| creator | Korir, K. K. Catellani, A. Cicero, G. |
| description | Oxygen vacancies in ZnO crystals have significant impacts on its properties and applications. On the basis of ab initio results, we describe the oxygen vacancy distribution and diffusion paths away from the ZnO(
1
1
¯
00
) surface, aiming to elucidate thermodynamics and kinetic stability of the vacancies and a possible control mechanism. In view of defect engineering and sensor applications, we propose efficient routes to chemically control the equilibrium concentration of the oxygen vacancies at ZnO surfaces by exposure to specific reactive gases: we show that the oxygen vacancy concentration can be increased using sulfur oxide as post-growth treatment, while under exposure to ozone, no significant amount of oxygen vacancies can be sustained on the surface. |
| doi_str_mv | 10.1063/1.4962861 |
| format | Article |
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1
1
¯
00
) surface, aiming to elucidate thermodynamics and kinetic stability of the vacancies and a possible control mechanism. In view of defect engineering and sensor applications, we propose efficient routes to chemically control the equilibrium concentration of the oxygen vacancies at ZnO surfaces by exposure to specific reactive gases: we show that the oxygen vacancy concentration can be increased using sulfur oxide as post-growth treatment, while under exposure to ozone, no significant amount of oxygen vacancies can be sustained on the surface.</description><identifier>ISSN: 0021-8979</identifier><identifier>EISSN: 1089-7550</identifier><identifier>DOI: 10.1063/1.4962861</identifier><identifier>CODEN: JAPIAU</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Control stability ; Lattice vacancies ; Organic chemistry ; Oxygen ; Sulfur oxides ; Vacancies ; Zinc oxide</subject><ispartof>Journal of applied physics, 2016-09, Vol.120 (12)</ispartof><rights>Author(s)</rights><rights>2016 Author(s). Published by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c242t-3486e25e713bee8ebbe1dd86ea211e5775f48f837763ba7260eecf7636eb5dd83</citedby><cites>FETCH-LOGICAL-c242t-3486e25e713bee8ebbe1dd86ea211e5775f48f837763ba7260eecf7636eb5dd83</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jap/article-lookup/doi/10.1063/1.4962861$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,776,780,790,4498,27901,27902,76353</link.rule.ids></links><search><creatorcontrib>Korir, K. K.</creatorcontrib><creatorcontrib>Catellani, A.</creatorcontrib><creatorcontrib>Cicero, G.</creatorcontrib><title>Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study</title><title>Journal of applied physics</title><description>Oxygen vacancies in ZnO crystals have significant impacts on its properties and applications. On the basis of ab initio results, we describe the oxygen vacancy distribution and diffusion paths away from the ZnO(
1
1
¯
00
) surface, aiming to elucidate thermodynamics and kinetic stability of the vacancies and a possible control mechanism. In view of defect engineering and sensor applications, we propose efficient routes to chemically control the equilibrium concentration of the oxygen vacancies at ZnO surfaces by exposure to specific reactive gases: we show that the oxygen vacancy concentration can be increased using sulfur oxide as post-growth treatment, while under exposure to ozone, no significant amount of oxygen vacancies can be sustained on the surface.</description><subject>Applied physics</subject><subject>Control stability</subject><subject>Lattice vacancies</subject><subject>Organic chemistry</subject><subject>Oxygen</subject><subject>Sulfur oxides</subject><subject>Vacancies</subject><subject>Zinc oxide</subject><issn>0021-8979</issn><issn>1089-7550</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNqd0M1KAzEQAOAgCtbqwTcIeLHC1kyyu8l6K8VfCr3Ui5eQ3Z0tKTVbk91in8p38MmMtOBd5jDM8DHDDCGXwMbAcnEL47TIucrhiAyAqSKRWcaOyYAxDokqZHFKzkJYMQagRDEgLwtj1623bknbz90SHd2ayrjKYqCmo29ufk0hxvcXZYyOaOh9Yyq8oxNHTUmts51taej6endOThqzDnhxyEPy-nC_mD4ls_nj83QySyqe8i4RqcqRZyhBlIgKyxKhrmPPcADMpMyaVDVKSJmL0kieM8SqiUWOZRahGJKr_dyNbz96DJ1etb13caXmwCFPoZBZVKO9qnwbgsdGb7x9N36ngenfV2nQh1dFe7O3obKdiQe5_-Ft6_-g3tSN-AG3KXUD</recordid><startdate>20160928</startdate><enddate>20160928</enddate><creator>Korir, K. K.</creator><creator>Catellani, A.</creator><creator>Cicero, G.</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20160928</creationdate><title>Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study</title><author>Korir, K. K. ; Catellani, A. ; Cicero, G.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c242t-3486e25e713bee8ebbe1dd86ea211e5775f48f837763ba7260eecf7636eb5dd83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Applied physics</topic><topic>Control stability</topic><topic>Lattice vacancies</topic><topic>Organic chemistry</topic><topic>Oxygen</topic><topic>Sulfur oxides</topic><topic>Vacancies</topic><topic>Zinc oxide</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Korir, K. K.</creatorcontrib><creatorcontrib>Catellani, A.</creatorcontrib><creatorcontrib>Cicero, G.</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of applied physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Korir, K. K.</au><au>Catellani, A.</au><au>Cicero, G.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study</atitle><jtitle>Journal of applied physics</jtitle><date>2016-09-28</date><risdate>2016</risdate><volume>120</volume><issue>12</issue><issn>0021-8979</issn><eissn>1089-7550</eissn><coden>JAPIAU</coden><abstract>Oxygen vacancies in ZnO crystals have significant impacts on its properties and applications. On the basis of ab initio results, we describe the oxygen vacancy distribution and diffusion paths away from the ZnO(
1
1
¯
00
) surface, aiming to elucidate thermodynamics and kinetic stability of the vacancies and a possible control mechanism. In view of defect engineering and sensor applications, we propose efficient routes to chemically control the equilibrium concentration of the oxygen vacancies at ZnO surfaces by exposure to specific reactive gases: we show that the oxygen vacancy concentration can be increased using sulfur oxide as post-growth treatment, while under exposure to ozone, no significant amount of oxygen vacancies can be sustained on the surface.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4962861</doi><tpages>4</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0021-8979 |
| ispartof | Journal of applied physics, 2016-09, Vol.120 (12) |
| issn | 0021-8979 1089-7550 |
| language | eng |
| recordid | cdi_scitation_primary_10_1063_1_4962861 |
| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Applied physics Control stability Lattice vacancies Organic chemistry Oxygen Sulfur oxides Vacancies Zinc oxide |
| title | Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study |
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