Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?
A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic...
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| creator | Vavrek, František Butsyk, Olena Kolivoška, Viliam Nováková Lachmanová, Št pánka Sebechlebská, Tá a Šebera, Jakub Gasior, Jind ich Mészáros, Gábor Hromadová, Magdaléna |
| description | A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic switching between (thermo)electric current and thermoelectric voltage measurements. Two model systems, 4,4′-bipyridine (
1
) and 4,4′-diaminostilbene (
2
), have been scrutinized. Single-molecule conductance (
G
) and thermopower (
S
) values were obtained for the two most probable junction configurations of
1
and
2
, each having two different conductance values,
G
H
(high) and
G
L
(low), where
G
H
>
G
L
. Thermopower values of
S
(
G
H
) = −6.4 ± 1.5 μV K
−1
and
S
(
G
L
) = −7.0 ± 1.6 μV K
−1
were obtained for the molecular junctions of
1
and values of
S
(
G
H
) = +14.4 ± 3.5 μV K
−1
and
S
(
G
L
) = +10.4 ± 3.0 μV K
−1
were obtained for the molecular junctions of
2
. The
G
H
and
S
(
G
H
) values for
1
and
2
are consistent with previously reported results. Thermopower values obtained simultaneously with conductance measurements for both configurations of
2
during junction evolution are reported for the first time. This work shows that, within experimental error, both
S
values are the same for each molecule,
i.e.
,
S
(
G
H
)
S
(
G
L
), and they do not depend on the molecular junction configuration. This is an important finding, which supports claims that thermopower is an intensive property of matter. DFT calculations of transmission functions combined with a non-equilibrium Green's function approach complete this study.
It was shown that the thermopower of a single-molecule junction does not depend on the junction configuration. |
| doi_str_mv | 10.1039/d1ta05324h |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_rsc_p</sourceid><recordid>TN_cdi_rsc_primary_d1ta05324h</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2561896224</sourcerecordid><originalsourceid>FETCH-LOGICAL-c281t-86e6605261f76bbe7c81c98923f301584c5343ff33868bd39f9540bf77483f963</originalsourceid><addsrcrecordid>eNqNkc9LwzAUx4MoOOYu3oWAN6WaNG2anGR0_oKBB-e5tunL1tkls2kR_3vTVerVXPJe-HwT3icInVNyQwmTtyVtcxKzMNocoUlIYhIkkeTHYy3EKZo5tyV-CUK4lBP0vrDgcLsB_ApQgPrAyoLWlarAtNhqnGNXmXUNwc7WoLoa8LYzqq2swSXswZTYV31-PFbW6GrdNXnf3Z2hE53XDma_-xS9Pdyv0qdg-fL4nM6XgQoFbQPBgXMSh5zqhBcFJEpQJYUMmWaExiJSMYuY1owJLoqSSS3jiBQ68WMxLTmbosvh3n1jPztwbba1XWP8k1kYcyokD8PIU1cDpRrrXAM62zfVLm--M0qyXmK2oKv5QeKTh68H-AsKq12vRMEY8BK5YCQisvdJPS3-T6dVe9CT2s60PnoxRBunxsTfb7IfQjONxA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2561896224</pqid></control><display><type>article</type><title>Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?</title><source>Royal Society Of Chemistry Journals</source><source>Web of Science - Science Citation Index Expanded - 2021<img src="https://exlibris-pub.s3.amazonaws.com/fromwos-v2.jpg" /></source><creator>Vavrek, František ; Butsyk, Olena ; Kolivoška, Viliam ; Nováková Lachmanová, Št pánka ; Sebechlebská, Tá a ; Šebera, Jakub ; Gasior, Jind ich ; Mészáros, Gábor ; Hromadová, Magdaléna</creator><creatorcontrib>Vavrek, František ; Butsyk, Olena ; Kolivoška, Viliam ; Nováková Lachmanová, Št pánka ; Sebechlebská, Tá a ; Šebera, Jakub ; Gasior, Jind ich ; Mészáros, Gábor ; Hromadová, Magdaléna</creatorcontrib><description>A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic switching between (thermo)electric current and thermoelectric voltage measurements. Two model systems, 4,4′-bipyridine (
1
) and 4,4′-diaminostilbene (
2
), have been scrutinized. Single-molecule conductance (
G
) and thermopower (
S
) values were obtained for the two most probable junction configurations of
1
and
2
, each having two different conductance values,
G
H
(high) and
G
L
(low), where
G
H
>
G
L
. Thermopower values of
S
(
G
H
) = −6.4 ± 1.5 μV K
−1
and
S
(
G
L
) = −7.0 ± 1.6 μV K
−1
were obtained for the molecular junctions of
1
and values of
S
(
G
H
) = +14.4 ± 3.5 μV K
−1
and
S
(
G
L
) = +10.4 ± 3.0 μV K
−1
were obtained for the molecular junctions of
2
. The
G
H
and
S
(
G
H
) values for
1
and
2
are consistent with previously reported results. Thermopower values obtained simultaneously with conductance measurements for both configurations of
2
during junction evolution are reported for the first time. This work shows that, within experimental error, both
S
values are the same for each molecule,
i.e.
,
S
(
G
H
)
S
(
G
L
), and they do not depend on the molecular junction configuration. This is an important finding, which supports claims that thermopower is an intensive property of matter. DFT calculations of transmission functions combined with a non-equilibrium Green's function approach complete this study.
It was shown that the thermopower of a single-molecule junction does not depend on the junction configuration.</description><identifier>ISSN: 2050-7488</identifier><identifier>EISSN: 2050-7496</identifier><identifier>DOI: 10.1039/d1ta05324h</identifier><language>eng</language><publisher>CAMBRIDGE: Royal Soc Chemistry</publisher><subject>Chemistry ; Chemistry, Physical ; Computer applications ; Conductance ; Configurations ; Electrical junctions ; Electrical measurement ; Energy & Fuels ; Experimental methods ; Green's functions ; Materials Science ; Materials Science, Multidisciplinary ; Mathematical analysis ; Physical Sciences ; Quantum chemistry ; Science & Technology ; Seebeck effect ; Technology ; Thermoelectricity</subject><ispartof>Journal of materials chemistry. A, Materials for energy and sustainability, 2021-08, Vol.9 (32), p.17512-1752</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>true</woscitedreferencessubscribed><woscitedreferencescount>4</woscitedreferencescount><woscitedreferencesoriginalsourcerecordid>wos000683040900001</woscitedreferencesoriginalsourcerecordid><citedby>FETCH-LOGICAL-c281t-86e6605261f76bbe7c81c98923f301584c5343ff33868bd39f9540bf77483f963</citedby><cites>FETCH-LOGICAL-c281t-86e6605261f76bbe7c81c98923f301584c5343ff33868bd39f9540bf77483f963</cites><orcidid>0000-0001-5671-5206 ; 0000-0002-3138-6917 ; 0000-0002-6832-7080 ; 0000-0003-0219-0672</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,27929,27930,39263</link.rule.ids></links><search><creatorcontrib>Vavrek, František</creatorcontrib><creatorcontrib>Butsyk, Olena</creatorcontrib><creatorcontrib>Kolivoška, Viliam</creatorcontrib><creatorcontrib>Nováková Lachmanová, Št pánka</creatorcontrib><creatorcontrib>Sebechlebská, Tá a</creatorcontrib><creatorcontrib>Šebera, Jakub</creatorcontrib><creatorcontrib>Gasior, Jind ich</creatorcontrib><creatorcontrib>Mészáros, Gábor</creatorcontrib><creatorcontrib>Hromadová, Magdaléna</creatorcontrib><title>Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?</title><title>Journal of materials chemistry. A, Materials for energy and sustainability</title><addtitle>J MATER CHEM A</addtitle><description>A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic switching between (thermo)electric current and thermoelectric voltage measurements. Two model systems, 4,4′-bipyridine (
1
) and 4,4′-diaminostilbene (
2
), have been scrutinized. Single-molecule conductance (
G
) and thermopower (
S
) values were obtained for the two most probable junction configurations of
1
and
2
, each having two different conductance values,
G
H
(high) and
G
L
(low), where
G
H
>
G
L
. Thermopower values of
S
(
G
H
) = −6.4 ± 1.5 μV K
−1
and
S
(
G
L
) = −7.0 ± 1.6 μV K
−1
were obtained for the molecular junctions of
1
and values of
S
(
G
H
) = +14.4 ± 3.5 μV K
−1
and
S
(
G
L
) = +10.4 ± 3.0 μV K
−1
were obtained for the molecular junctions of
2
. The
G
H
and
S
(
G
H
) values for
1
and
2
are consistent with previously reported results. Thermopower values obtained simultaneously with conductance measurements for both configurations of
2
during junction evolution are reported for the first time. This work shows that, within experimental error, both
S
values are the same for each molecule,
i.e.
,
S
(
G
H
)
S
(
G
L
), and they do not depend on the molecular junction configuration. This is an important finding, which supports claims that thermopower is an intensive property of matter. DFT calculations of transmission functions combined with a non-equilibrium Green's function approach complete this study.
It was shown that the thermopower of a single-molecule junction does not depend on the junction configuration.</description><subject>Chemistry</subject><subject>Chemistry, Physical</subject><subject>Computer applications</subject><subject>Conductance</subject><subject>Configurations</subject><subject>Electrical junctions</subject><subject>Electrical measurement</subject><subject>Energy & Fuels</subject><subject>Experimental methods</subject><subject>Green's functions</subject><subject>Materials Science</subject><subject>Materials Science, Multidisciplinary</subject><subject>Mathematical analysis</subject><subject>Physical Sciences</subject><subject>Quantum chemistry</subject><subject>Science & Technology</subject><subject>Seebeck effect</subject><subject>Technology</subject><subject>Thermoelectricity</subject><issn>2050-7488</issn><issn>2050-7496</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>HGBXW</sourceid><recordid>eNqNkc9LwzAUx4MoOOYu3oWAN6WaNG2anGR0_oKBB-e5tunL1tkls2kR_3vTVerVXPJe-HwT3icInVNyQwmTtyVtcxKzMNocoUlIYhIkkeTHYy3EKZo5tyV-CUK4lBP0vrDgcLsB_ApQgPrAyoLWlarAtNhqnGNXmXUNwc7WoLoa8LYzqq2swSXswZTYV31-PFbW6GrdNXnf3Z2hE53XDma_-xS9Pdyv0qdg-fL4nM6XgQoFbQPBgXMSh5zqhBcFJEpQJYUMmWaExiJSMYuY1owJLoqSSS3jiBQ68WMxLTmbosvh3n1jPztwbba1XWP8k1kYcyokD8PIU1cDpRrrXAM62zfVLm--M0qyXmK2oKv5QeKTh68H-AsKq12vRMEY8BK5YCQisvdJPS3-T6dVe9CT2s60PnoxRBunxsTfb7IfQjONxA</recordid><startdate>20210828</startdate><enddate>20210828</enddate><creator>Vavrek, František</creator><creator>Butsyk, Olena</creator><creator>Kolivoška, Viliam</creator><creator>Nováková Lachmanová, Št pánka</creator><creator>Sebechlebská, Tá a</creator><creator>Šebera, Jakub</creator><creator>Gasior, Jind ich</creator><creator>Mészáros, Gábor</creator><creator>Hromadová, Magdaléna</creator><general>Royal Soc Chemistry</general><general>Royal Society of Chemistry</general><scope>BLEPL</scope><scope>DTL</scope><scope>HGBXW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SP</scope><scope>7SR</scope><scope>7ST</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>JG9</scope><scope>L7M</scope><scope>SOI</scope><orcidid>https://orcid.org/0000-0001-5671-5206</orcidid><orcidid>https://orcid.org/0000-0002-3138-6917</orcidid><orcidid>https://orcid.org/0000-0002-6832-7080</orcidid><orcidid>https://orcid.org/0000-0003-0219-0672</orcidid></search><sort><creationdate>20210828</creationdate><title>Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?</title><author>Vavrek, František ; Butsyk, Olena ; Kolivoška, Viliam ; Nováková Lachmanová, Št pánka ; Sebechlebská, Tá a ; Šebera, Jakub ; Gasior, Jind ich ; Mészáros, Gábor ; Hromadová, Magdaléna</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c281t-86e6605261f76bbe7c81c98923f301584c5343ff33868bd39f9540bf77483f963</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemistry</topic><topic>Chemistry, Physical</topic><topic>Computer applications</topic><topic>Conductance</topic><topic>Configurations</topic><topic>Electrical junctions</topic><topic>Electrical measurement</topic><topic>Energy & Fuels</topic><topic>Experimental methods</topic><topic>Green's functions</topic><topic>Materials Science</topic><topic>Materials Science, Multidisciplinary</topic><topic>Mathematical analysis</topic><topic>Physical Sciences</topic><topic>Quantum chemistry</topic><topic>Science & Technology</topic><topic>Seebeck effect</topic><topic>Technology</topic><topic>Thermoelectricity</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Vavrek, František</creatorcontrib><creatorcontrib>Butsyk, Olena</creatorcontrib><creatorcontrib>Kolivoška, Viliam</creatorcontrib><creatorcontrib>Nováková Lachmanová, Št pánka</creatorcontrib><creatorcontrib>Sebechlebská, Tá a</creatorcontrib><creatorcontrib>Šebera, Jakub</creatorcontrib><creatorcontrib>Gasior, Jind ich</creatorcontrib><creatorcontrib>Mészáros, Gábor</creatorcontrib><creatorcontrib>Hromadová, Magdaléna</creatorcontrib><collection>Web of Science Core Collection</collection><collection>Science Citation Index Expanded</collection><collection>Web of Science - Science Citation Index Expanded - 2021</collection><collection>CrossRef</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Environment Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Environment Abstracts</collection><jtitle>Journal of materials chemistry. A, Materials for energy and sustainability</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Vavrek, František</au><au>Butsyk, Olena</au><au>Kolivoška, Viliam</au><au>Nováková Lachmanová, Št pánka</au><au>Sebechlebská, Tá a</au><au>Šebera, Jakub</au><au>Gasior, Jind ich</au><au>Mészáros, Gábor</au><au>Hromadová, Magdaléna</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?</atitle><jtitle>Journal of materials chemistry. A, Materials for energy and sustainability</jtitle><stitle>J MATER CHEM A</stitle><date>2021-08-28</date><risdate>2021</risdate><volume>9</volume><issue>32</issue><spage>17512</spage><epage>1752</epage><pages>17512-1752</pages><issn>2050-7488</issn><eissn>2050-7496</eissn><abstract>A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic switching between (thermo)electric current and thermoelectric voltage measurements. Two model systems, 4,4′-bipyridine (
1
) and 4,4′-diaminostilbene (
2
), have been scrutinized. Single-molecule conductance (
G
) and thermopower (
S
) values were obtained for the two most probable junction configurations of
1
and
2
, each having two different conductance values,
G
H
(high) and
G
L
(low), where
G
H
>
G
L
. Thermopower values of
S
(
G
H
) = −6.4 ± 1.5 μV K
−1
and
S
(
G
L
) = −7.0 ± 1.6 μV K
−1
were obtained for the molecular junctions of
1
and values of
S
(
G
H
) = +14.4 ± 3.5 μV K
−1
and
S
(
G
L
) = +10.4 ± 3.0 μV K
−1
were obtained for the molecular junctions of
2
. The
G
H
and
S
(
G
H
) values for
1
and
2
are consistent with previously reported results. Thermopower values obtained simultaneously with conductance measurements for both configurations of
2
during junction evolution are reported for the first time. This work shows that, within experimental error, both
S
values are the same for each molecule,
i.e.
,
S
(
G
H
)
S
(
G
L
), and they do not depend on the molecular junction configuration. This is an important finding, which supports claims that thermopower is an intensive property of matter. DFT calculations of transmission functions combined with a non-equilibrium Green's function approach complete this study.
It was shown that the thermopower of a single-molecule junction does not depend on the junction configuration.</abstract><cop>CAMBRIDGE</cop><pub>Royal Soc Chemistry</pub><doi>10.1039/d1ta05324h</doi><orcidid>https://orcid.org/0000-0001-5671-5206</orcidid><orcidid>https://orcid.org/0000-0002-3138-6917</orcidid><orcidid>https://orcid.org/0000-0002-6832-7080</orcidid><orcidid>https://orcid.org/0000-0003-0219-0672</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2050-7488 |
| ispartof | Journal of materials chemistry. A, Materials for energy and sustainability, 2021-08, Vol.9 (32), p.17512-1752 |
| issn | 2050-7488 2050-7496 |
| language | eng |
| recordid | cdi_rsc_primary_d1ta05324h |
| source | Royal Society Of Chemistry Journals; Web of Science - Science Citation Index Expanded - 2021<img src="https://exlibris-pub.s3.amazonaws.com/fromwos-v2.jpg" /> |
| subjects | Chemistry Chemistry, Physical Computer applications Conductance Configurations Electrical junctions Electrical measurement Energy & Fuels Experimental methods Green's functions Materials Science Materials Science, Multidisciplinary Mathematical analysis Physical Sciences Quantum chemistry Science & Technology Seebeck effect Technology Thermoelectricity |
| title | Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration? |
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