Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study

Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study

The adsorption stability for H2O, CO2 and related molecules on surfaces of ceramic BaTiO3 solids and BaTiO3 nanoclusters was investigated by first-principles theoretical calculations. I found remarkable enhancement of stability for their adsorption on BaTiO3 nanocluster surfaces compared with that o...

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1. Verfasser: Higai Shin'ichi
Format: Tagungsbericht
Sprache:eng
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Adsorption
Barium titanates
Carbon dioxide
Dependence
First principles
Nanoclusters
Solid surfaces
Surface chemistry
Surface stability
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creator Higai Shin'ichi
description The adsorption stability for H2O, CO2 and related molecules on surfaces of ceramic BaTiO3 solids and BaTiO3 nanoclusters was investigated by first-principles theoretical calculations. I found remarkable enhancement of stability for their adsorption on BaTiO3 nanocluster surfaces compared with that on solid surfaces. Furthermore, the dependence of nanocluster sizes on adsorption stability was also clarified.
doi_str_mv 10.1063/1.4897907
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I found remarkable enhancement of stability for their adsorption on BaTiO3 nanocluster surfaces compared with that on solid surfaces. Furthermore, the dependence of nanocluster sizes on adsorption stability was also clarified.</description><subject>Adsorption</subject><subject>Barium titanates</subject><subject>Carbon dioxide</subject><subject>Dependence</subject><subject>First principles</subject><subject>Nanoclusters</subject><subject>Solid surfaces</subject><subject>Surface chemistry</subject><subject>Surface stability</subject><issn>0094-243X</issn><issn>1551-7616</issn><fulltext>true</fulltext><rsrctype>conference_proceeding</rsrctype><creationdate>2014</creationdate><recordtype>conference_proceeding</recordtype><recordid>eNotjU9LwzAcQIMoOKcHv0HAc2f-NE3jTYc6YVCQCd7Gr8mvrrNNZpIevPrJHejpXR7vEXLN2YKzSt7yRVkbbZg-ITOuFC90xatTMmPMlIUo5fs5uUhpz5gwWtcz8vOKI8RPaAek6HfgLY7oMw0dBZdCPOQ-eJoytP3Q52_ahUhXoqHgHV02go5hQDsNmOhRsxhh7C19gE3fSOrBBztMKWOkaYodWEx3dLPDEDH3FoZjd3Lfl-SsgyHh1T_n5O3pcbNcFevm-WV5vy4-hGC5aA1wxBqF4oxBWzowNQcJCkttlOaq5Fzatqp157BygknUSjEuZelcLaWck5u_7iGGrwlT3u7DFP1xuRVcVEqySkv5C6DrYRg</recordid><startdate>20141006</startdate><enddate>20141006</enddate><creator>Higai Shin'ichi</creator><general>American Institute of Physics</general><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20141006</creationdate><title>Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study</title><author>Higai Shin'ichi</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-g220t-b9a1ee8e25100ab4da981a3a5e47957154113cb687fde6d203e75501334dd8333</frbrgroupid><rsrctype>conference_proceedings</rsrctype><prefilter>conference_proceedings</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Adsorption</topic><topic>Barium titanates</topic><topic>Carbon dioxide</topic><topic>Dependence</topic><topic>First principles</topic><topic>Nanoclusters</topic><topic>Solid surfaces</topic><topic>Surface chemistry</topic><topic>Surface stability</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Higai Shin'ichi</creatorcontrib><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Higai Shin'ichi</au><format>book</format><genre>proceeding</genre><ristype>CONF</ristype><atitle>Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study</atitle><btitle>AIP conference proceedings</btitle><date>2014-10-06</date><risdate>2014</risdate><volume>1618</volume><issue>1</issue><epage>1020</epage><issn>0094-243X</issn><eissn>1551-7616</eissn><abstract>The adsorption stability for H2O, CO2 and related molecules on surfaces of ceramic BaTiO3 solids and BaTiO3 nanoclusters was investigated by first-principles theoretical calculations. 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ispartof AIP conference proceedings, 2014, Vol.1618 (1), p.1020
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1551-7616
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source AIP Journals Complete
subjects Adsorption
Barium titanates
Carbon dioxide
Dependence
First principles
Nanoclusters
Solid surfaces
Surface chemistry
Surface stability
title Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study
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