Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping
Experimental validation of complex microkinetic models derived from quantum chemistry is crucial for the advancement of bottom-up approaches to heterogeneous catalysis. State-of-the-art velocity-resolved kinetics experiments have made tremendous progress in this arena but integrate reactivity over c...
Gespeichert in:
Veröffentlicht in: | The Journal of chemical physics 2024-12, Vol.161 (22) |
---|---|
Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
container_end_page | |
---|---|
container_issue | 22 |
container_start_page | |
container_title | The Journal of chemical physics |
container_volume | 161 |
creator | Smoll, Eric J. Patterson, Brian D. Chandler, David W. Kliewer, Christopher J. |
description | Experimental validation of complex microkinetic models derived from quantum chemistry is crucial for the advancement of bottom-up approaches to heterogeneous catalysis. State-of-the-art velocity-resolved kinetics experiments have made tremendous progress in this arena but integrate reactivity over centimeter-scale single-crystal catalytic surfaces even when complex spatial phenomena may perturb the kinetic results. We report a new design, optimization, and analysis of an ion imaging microscope that can collect spatially resolved kinetic data from a catalytic surface. In its simplest configuration, gaseous reaction products are ionized by a laser line or sheet above a catalytic surface. The resulting ions are extracted and strongly lensed to an intermediate velocity-mapped plane where a pinhole of radius r only transmits ions produced from reaction products with desorption velocities within a narrow solid angle centered on the surface normal. Transmitted ions re-expand through an electrostatic zoom lens to form a spatial image of the initial reaction product distribution with reduced blur from desorption velocity components parallel to the surface. The ion hits that define the magnified and deblurred spatial image can be used to determine spatiotemporal flux and speed-distributions of gas leaving the catalyst surface. Electrostatic trajectory simulations are performed and verify that transmission is ∝r2/TSurface. However, calculated global point spread functions acting on the magnified image have a width that is ∝r and largely independent of TSurface. Thus, velocity-filtered ion imaging microscopy can deliver a consistent resolution as the TSurface is varied, which is a great advantage because many catalytic reactions require elevated temperatures. |
doi_str_mv | 10.1063/5.0239650 |
format | Article |
fullrecord | <record><control><sourceid>proquest_scita</sourceid><recordid>TN_cdi_scitation_primary_10_1063_5_0239650</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>3146627917</sourcerecordid><originalsourceid>FETCH-LOGICAL-p1551-7534c414bfdbb2f3d8a7f07b567f74301b97ab8f149f95264e8dd97a46175e353</originalsourceid><addsrcrecordid>eNpdkU1LxDAQhoMouq4e_AMS8CJC10nz1R5l8QsWPKjnkqbJkrVtatMK--9N3dWDp4F3nnmZeQehCwILAoLe8gWkNBccDtCMQJYnUuRwiGYAKUlyAeIEnYawAQAiU3aMTiIcVQEzZF87NThV494EX4-D8y32Fiv8ZWqv3bBNgqmNHkyFp5Zr1Nq1a9w43fugfWew9T0OY2-VNtFE6R-LD9eawemAG9V1ceAMHVlVB3O-r3P0_nD_tnxKVi-Pz8u7VdIRzkkiOWWaEVbaqixTS6tMSQuy5EJaySiQMpeqzCxhuc15KpjJqipKTBDJDeV0jq53vl3vP0cThqJxQZu6Vq3xYygoYUKkMicyolf_0I0f-zZuN1EUKKScROpyT41lY6qi62ME_bb4TTACNzsgxLTUdPwfQ6CY3lPwYv8e-g1Xjn6z</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>3143030251</pqid></control><display><type>article</type><title>Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping</title><source>AIP Journals Complete</source><creator>Smoll, Eric J. ; Patterson, Brian D. ; Chandler, David W. ; Kliewer, Christopher J.</creator><creatorcontrib>Smoll, Eric J. ; Patterson, Brian D. ; Chandler, David W. ; Kliewer, Christopher J.</creatorcontrib><description>Experimental validation of complex microkinetic models derived from quantum chemistry is crucial for the advancement of bottom-up approaches to heterogeneous catalysis. State-of-the-art velocity-resolved kinetics experiments have made tremendous progress in this arena but integrate reactivity over centimeter-scale single-crystal catalytic surfaces even when complex spatial phenomena may perturb the kinetic results. We report a new design, optimization, and analysis of an ion imaging microscope that can collect spatially resolved kinetic data from a catalytic surface. In its simplest configuration, gaseous reaction products are ionized by a laser line or sheet above a catalytic surface. The resulting ions are extracted and strongly lensed to an intermediate velocity-mapped plane where a pinhole of radius r only transmits ions produced from reaction products with desorption velocities within a narrow solid angle centered on the surface normal. Transmitted ions re-expand through an electrostatic zoom lens to form a spatial image of the initial reaction product distribution with reduced blur from desorption velocity components parallel to the surface. The ion hits that define the magnified and deblurred spatial image can be used to determine spatiotemporal flux and speed-distributions of gas leaving the catalyst surface. Electrostatic trajectory simulations are performed and verify that transmission is ∝r2/TSurface. However, calculated global point spread functions acting on the magnified image have a width that is ∝r and largely independent of TSurface. Thus, velocity-filtered ion imaging microscopy can deliver a consistent resolution as the TSurface is varied, which is a great advantage because many catalytic reactions require elevated temperatures.</description><identifier>ISSN: 0021-9606</identifier><identifier>ISSN: 1089-7690</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/5.0239650</identifier><identifier>PMID: 39660660</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Catalysis ; Configuration management ; Design optimization ; Desorption ; High temperature ; Image filters ; Image transmission ; Pinholes ; Point spread functions ; Quantum chemistry ; Reaction kinetics ; Reaction products ; Single crystals ; Spatial resolution ; Surface reactions ; Velocity ; Zoom lenses</subject><ispartof>The Journal of chemical physics, 2024-12, Vol.161 (22)</ispartof><rights>Author(s)</rights><rights>2024 Author(s). Published under an exclusive license by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0003-2076-2507 ; 0000-0002-2661-1753 ; 0000-0002-8910-2155 ; 0000-0003-1955-4671</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/5.0239650$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,780,784,794,4512,27924,27925,76384</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/39660660$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Smoll, Eric J.</creatorcontrib><creatorcontrib>Patterson, Brian D.</creatorcontrib><creatorcontrib>Chandler, David W.</creatorcontrib><creatorcontrib>Kliewer, Christopher J.</creatorcontrib><title>Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>Experimental validation of complex microkinetic models derived from quantum chemistry is crucial for the advancement of bottom-up approaches to heterogeneous catalysis. State-of-the-art velocity-resolved kinetics experiments have made tremendous progress in this arena but integrate reactivity over centimeter-scale single-crystal catalytic surfaces even when complex spatial phenomena may perturb the kinetic results. We report a new design, optimization, and analysis of an ion imaging microscope that can collect spatially resolved kinetic data from a catalytic surface. In its simplest configuration, gaseous reaction products are ionized by a laser line or sheet above a catalytic surface. The resulting ions are extracted and strongly lensed to an intermediate velocity-mapped plane where a pinhole of radius r only transmits ions produced from reaction products with desorption velocities within a narrow solid angle centered on the surface normal. Transmitted ions re-expand through an electrostatic zoom lens to form a spatial image of the initial reaction product distribution with reduced blur from desorption velocity components parallel to the surface. The ion hits that define the magnified and deblurred spatial image can be used to determine spatiotemporal flux and speed-distributions of gas leaving the catalyst surface. Electrostatic trajectory simulations are performed and verify that transmission is ∝r2/TSurface. However, calculated global point spread functions acting on the magnified image have a width that is ∝r and largely independent of TSurface. Thus, velocity-filtered ion imaging microscopy can deliver a consistent resolution as the TSurface is varied, which is a great advantage because many catalytic reactions require elevated temperatures.</description><subject>Catalysis</subject><subject>Configuration management</subject><subject>Design optimization</subject><subject>Desorption</subject><subject>High temperature</subject><subject>Image filters</subject><subject>Image transmission</subject><subject>Pinholes</subject><subject>Point spread functions</subject><subject>Quantum chemistry</subject><subject>Reaction kinetics</subject><subject>Reaction products</subject><subject>Single crystals</subject><subject>Spatial resolution</subject><subject>Surface reactions</subject><subject>Velocity</subject><subject>Zoom lenses</subject><issn>0021-9606</issn><issn>1089-7690</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNpdkU1LxDAQhoMouq4e_AMS8CJC10nz1R5l8QsWPKjnkqbJkrVtatMK--9N3dWDp4F3nnmZeQehCwILAoLe8gWkNBccDtCMQJYnUuRwiGYAKUlyAeIEnYawAQAiU3aMTiIcVQEzZF87NThV494EX4-D8y32Fiv8ZWqv3bBNgqmNHkyFp5Zr1Nq1a9w43fugfWew9T0OY2-VNtFE6R-LD9eawemAG9V1ceAMHVlVB3O-r3P0_nD_tnxKVi-Pz8u7VdIRzkkiOWWaEVbaqixTS6tMSQuy5EJaySiQMpeqzCxhuc15KpjJqipKTBDJDeV0jq53vl3vP0cThqJxQZu6Vq3xYygoYUKkMicyolf_0I0f-zZuN1EUKKScROpyT41lY6qi62ME_bb4TTACNzsgxLTUdPwfQ6CY3lPwYv8e-g1Xjn6z</recordid><startdate>20241214</startdate><enddate>20241214</enddate><creator>Smoll, Eric J.</creator><creator>Patterson, Brian D.</creator><creator>Chandler, David W.</creator><creator>Kliewer, Christopher J.</creator><general>American Institute of Physics</general><scope>NPM</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-2076-2507</orcidid><orcidid>https://orcid.org/0000-0002-2661-1753</orcidid><orcidid>https://orcid.org/0000-0002-8910-2155</orcidid><orcidid>https://orcid.org/0000-0003-1955-4671</orcidid></search><sort><creationdate>20241214</creationdate><title>Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping</title><author>Smoll, Eric J. ; Patterson, Brian D. ; Chandler, David W. ; Kliewer, Christopher J.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p1551-7534c414bfdbb2f3d8a7f07b567f74301b97ab8f149f95264e8dd97a46175e353</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Catalysis</topic><topic>Configuration management</topic><topic>Design optimization</topic><topic>Desorption</topic><topic>High temperature</topic><topic>Image filters</topic><topic>Image transmission</topic><topic>Pinholes</topic><topic>Point spread functions</topic><topic>Quantum chemistry</topic><topic>Reaction kinetics</topic><topic>Reaction products</topic><topic>Single crystals</topic><topic>Spatial resolution</topic><topic>Surface reactions</topic><topic>Velocity</topic><topic>Zoom lenses</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Smoll, Eric J.</creatorcontrib><creatorcontrib>Patterson, Brian D.</creatorcontrib><creatorcontrib>Chandler, David W.</creatorcontrib><creatorcontrib>Kliewer, Christopher J.</creatorcontrib><collection>PubMed</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Smoll, Eric J.</au><au>Patterson, Brian D.</au><au>Chandler, David W.</au><au>Kliewer, Christopher J.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2024-12-14</date><risdate>2024</risdate><volume>161</volume><issue>22</issue><issn>0021-9606</issn><issn>1089-7690</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>Experimental validation of complex microkinetic models derived from quantum chemistry is crucial for the advancement of bottom-up approaches to heterogeneous catalysis. State-of-the-art velocity-resolved kinetics experiments have made tremendous progress in this arena but integrate reactivity over centimeter-scale single-crystal catalytic surfaces even when complex spatial phenomena may perturb the kinetic results. We report a new design, optimization, and analysis of an ion imaging microscope that can collect spatially resolved kinetic data from a catalytic surface. In its simplest configuration, gaseous reaction products are ionized by a laser line or sheet above a catalytic surface. The resulting ions are extracted and strongly lensed to an intermediate velocity-mapped plane where a pinhole of radius r only transmits ions produced from reaction products with desorption velocities within a narrow solid angle centered on the surface normal. Transmitted ions re-expand through an electrostatic zoom lens to form a spatial image of the initial reaction product distribution with reduced blur from desorption velocity components parallel to the surface. The ion hits that define the magnified and deblurred spatial image can be used to determine spatiotemporal flux and speed-distributions of gas leaving the catalyst surface. Electrostatic trajectory simulations are performed and verify that transmission is ∝r2/TSurface. However, calculated global point spread functions acting on the magnified image have a width that is ∝r and largely independent of TSurface. Thus, velocity-filtered ion imaging microscopy can deliver a consistent resolution as the TSurface is varied, which is a great advantage because many catalytic reactions require elevated temperatures.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>39660660</pmid><doi>10.1063/5.0239650</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0003-2076-2507</orcidid><orcidid>https://orcid.org/0000-0002-2661-1753</orcidid><orcidid>https://orcid.org/0000-0002-8910-2155</orcidid><orcidid>https://orcid.org/0000-0003-1955-4671</orcidid></addata></record> |
fulltext | fulltext |
identifier | ISSN: 0021-9606 |
ispartof | The Journal of chemical physics, 2024-12, Vol.161 (22) |
issn | 0021-9606 1089-7690 1089-7690 |
language | eng |
recordid | cdi_scitation_primary_10_1063_5_0239650 |
source | AIP Journals Complete |
subjects | Catalysis Configuration management Design optimization Desorption High temperature Image filters Image transmission Pinholes Point spread functions Quantum chemistry Reaction kinetics Reaction products Single crystals Spatial resolution Surface reactions Velocity Zoom lenses |
title | Spatial resolution of a velocity-selected ion imaging microscope for surface reaction kinetics mapping |
url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-29T19%3A24%3A31IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_scita&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Spatial%20resolution%20of%20a%20velocity-selected%20ion%20imaging%20microscope%20for%20surface%20reaction%20kinetics%20mapping&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Smoll,%20Eric%20J.&rft.date=2024-12-14&rft.volume=161&rft.issue=22&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/5.0239650&rft_dat=%3Cproquest_scita%3E3146627917%3C/proquest_scita%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=3143030251&rft_id=info:pmid/39660660&rfr_iscdi=true |