Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go bey...
Ausführliche Beschreibung
Autor*in: |
Dou, Wenjie [verfasserIn] |
---|
Format: |
Artikel |
---|---|
Sprache: |
Englisch |
Erschienen: |
2017 |
---|
Rechteinformationen: |
Nutzungsrecht: © Author(s) |
---|
Schlagwörter: |
---|
Übergeordnetes Werk: |
Enthalten in: The journal of chemical physics - Melville, NY : AIP, 1933, 146(2017), 9, Seite 92304 |
---|---|
Übergeordnetes Werk: |
volume:146 ; year:2017 ; number:9 ; pages:92304 |
Links: |
---|
DOI / URN: |
10.1063/1.4965823 |
---|
Katalog-ID: |
OLC1992299048 |
---|
LEADER | 01000caa a2200265 4500 | ||
---|---|---|---|
001 | OLC1992299048 | ||
003 | DE-627 | ||
005 | 20230715041300.0 | ||
007 | tu | ||
008 | 170512s2017 xx ||||| 00| ||eng c | ||
024 | 7 | |a 10.1063/1.4965823 |2 doi | |
028 | 5 | 2 | |a PQ20170721 |
035 | |a (DE-627)OLC1992299048 | ||
035 | |a (DE-599)GBVOLC1992299048 | ||
035 | |a (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 | ||
035 | |a (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec | ||
040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
041 | |a eng | ||
082 | 0 | 4 | |a 540 |a 530 |q DE-600 |
100 | 1 | |a Dou, Wenjie |e verfasserin |4 aut | |
245 | 1 | 0 | |a Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
264 | 1 | |c 2017 | |
336 | |a Text |b txt |2 rdacontent | ||
337 | |a ohne Hilfsmittel zu benutzen |b n |2 rdamedia | ||
338 | |a Band |b nc |2 rdacarrier | ||
520 | |a We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. | ||
540 | |a Nutzungsrecht: © Author(s) | ||
650 | 4 | |a Physics | |
650 | 4 | |a Chemical Physics | |
700 | 1 | |a Subotnik, Joseph E |4 oth | |
773 | 0 | 8 | |i Enthalten in |t The journal of chemical physics |d Melville, NY : AIP, 1933 |g 146(2017), 9, Seite 92304 |w (DE-627)129079049 |w (DE-600)3113-6 |w (DE-576)014411660 |x 0021-9606 |7 nnns |
773 | 1 | 8 | |g volume:146 |g year:2017 |g number:9 |g pages:92304 |
856 | 4 | 1 | |u http://dx.doi.org/10.1063/1.4965823 |3 Volltext |
856 | 4 | 2 | |u http://dx.doi.org/10.1063/1.4965823 |
856 | 4 | 2 | |u http://arxiv.org/abs/1606.06110 |
912 | |a GBV_USEFLAG_A | ||
912 | |a SYSFLAG_A | ||
912 | |a GBV_OLC | ||
912 | |a SSG-OLC-PHY | ||
912 | |a SSG-OLC-CHE | ||
912 | |a SSG-OLC-PHA | ||
912 | |a SSG-OLC-DE-84 | ||
912 | |a GBV_ILN_59 | ||
912 | |a GBV_ILN_70 | ||
912 | |a GBV_ILN_2016 | ||
912 | |a GBV_ILN_2279 | ||
951 | |a AR | ||
952 | |d 146 |j 2017 |e 9 |h 92304 |
author_variant |
w d wd |
---|---|
matchkey_str |
article:00219606:2017----::lcrncrcinereasraeaaehrmlclmtlopigd |
hierarchy_sort_str |
2017 |
publishDate |
2017 |
allfields |
10.1063/1.4965823 doi PQ20170721 (DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec DE-627 ger DE-627 rakwb eng 540 530 DE-600 Dou, Wenjie verfasserin aut Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. Nutzungsrecht: © Author(s) Physics Chemical Physics Subotnik, Joseph E oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 146(2017), 9, Seite 92304 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:146 year:2017 number:9 pages:92304 http://dx.doi.org/10.1063/1.4965823 Volltext http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 146 2017 9 92304 |
spelling |
10.1063/1.4965823 doi PQ20170721 (DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec DE-627 ger DE-627 rakwb eng 540 530 DE-600 Dou, Wenjie verfasserin aut Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. Nutzungsrecht: © Author(s) Physics Chemical Physics Subotnik, Joseph E oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 146(2017), 9, Seite 92304 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:146 year:2017 number:9 pages:92304 http://dx.doi.org/10.1063/1.4965823 Volltext http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 146 2017 9 92304 |
allfields_unstemmed |
10.1063/1.4965823 doi PQ20170721 (DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec DE-627 ger DE-627 rakwb eng 540 530 DE-600 Dou, Wenjie verfasserin aut Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. Nutzungsrecht: © Author(s) Physics Chemical Physics Subotnik, Joseph E oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 146(2017), 9, Seite 92304 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:146 year:2017 number:9 pages:92304 http://dx.doi.org/10.1063/1.4965823 Volltext http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 146 2017 9 92304 |
allfieldsGer |
10.1063/1.4965823 doi PQ20170721 (DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec DE-627 ger DE-627 rakwb eng 540 530 DE-600 Dou, Wenjie verfasserin aut Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. Nutzungsrecht: © Author(s) Physics Chemical Physics Subotnik, Joseph E oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 146(2017), 9, Seite 92304 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:146 year:2017 number:9 pages:92304 http://dx.doi.org/10.1063/1.4965823 Volltext http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 146 2017 9 92304 |
allfieldsSound |
10.1063/1.4965823 doi PQ20170721 (DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec DE-627 ger DE-627 rakwb eng 540 530 DE-600 Dou, Wenjie verfasserin aut Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. Nutzungsrecht: © Author(s) Physics Chemical Physics Subotnik, Joseph E oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 146(2017), 9, Seite 92304 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:146 year:2017 number:9 pages:92304 http://dx.doi.org/10.1063/1.4965823 Volltext http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 146 2017 9 92304 |
language |
English |
source |
Enthalten in The journal of chemical physics 146(2017), 9, Seite 92304 volume:146 year:2017 number:9 pages:92304 |
sourceStr |
Enthalten in The journal of chemical physics 146(2017), 9, Seite 92304 volume:146 year:2017 number:9 pages:92304 |
format_phy_str_mv |
Article |
institution |
findex.gbv.de |
topic_facet |
Physics Chemical Physics |
dewey-raw |
540 |
isfreeaccess_bool |
false |
container_title |
The journal of chemical physics |
authorswithroles_txt_mv |
Dou, Wenjie @@aut@@ Subotnik, Joseph E @@oth@@ |
publishDateDaySort_date |
2017-01-01T00:00:00Z |
hierarchy_top_id |
129079049 |
dewey-sort |
3540 |
id |
OLC1992299048 |
language_de |
englisch |
fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a2200265 4500</leader><controlfield tag="001">OLC1992299048</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230715041300.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">170512s2017 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1063/1.4965823</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">PQ20170721</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC1992299048</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)GBVOLC1992299048</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Dou, Wenjie</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2017</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics.</subfield></datafield><datafield tag="540" ind1=" " ind2=" "><subfield code="a">Nutzungsrecht: © Author(s)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Physics</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemical Physics</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Subotnik, Joseph E</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">The journal of chemical physics</subfield><subfield code="d">Melville, NY : AIP, 1933</subfield><subfield code="g">146(2017), 9, Seite 92304</subfield><subfield code="w">(DE-627)129079049</subfield><subfield code="w">(DE-600)3113-6</subfield><subfield code="w">(DE-576)014411660</subfield><subfield code="x">0021-9606</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:146</subfield><subfield code="g">year:2017</subfield><subfield code="g">number:9</subfield><subfield code="g">pages:92304</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">http://dx.doi.org/10.1063/1.4965823</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://dx.doi.org/10.1063/1.4965823</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://arxiv.org/abs/1606.06110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-CHE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-DE-84</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_59</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2016</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2279</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">146</subfield><subfield code="j">2017</subfield><subfield code="e">9</subfield><subfield code="h">92304</subfield></datafield></record></collection>
|
author |
Dou, Wenjie |
spellingShingle |
Dou, Wenjie ddc 540 misc Physics misc Chemical Physics Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
authorStr |
Dou, Wenjie |
ppnlink_with_tag_str_mv |
@@773@@(DE-627)129079049 |
format |
Article |
dewey-ones |
540 - Chemistry & allied sciences 530 - Physics |
delete_txt_mv |
keep |
author_role |
aut |
collection |
OLC |
remote_str |
false |
illustrated |
Not Illustrated |
issn |
0021-9606 |
topic_title |
540 530 DE-600 Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates Physics Chemical Physics |
topic |
ddc 540 misc Physics misc Chemical Physics |
topic_unstemmed |
ddc 540 misc Physics misc Chemical Physics |
topic_browse |
ddc 540 misc Physics misc Chemical Physics |
format_facet |
Aufsätze Gedruckte Aufsätze |
format_main_str_mv |
Text Zeitschrift/Artikel |
carriertype_str_mv |
nc |
author2_variant |
j e s je jes |
hierarchy_parent_title |
The journal of chemical physics |
hierarchy_parent_id |
129079049 |
dewey-tens |
540 - Chemistry 530 - Physics |
hierarchy_top_title |
The journal of chemical physics |
isfreeaccess_txt |
false |
familylinks_str_mv |
(DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 |
title |
Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
ctrlnum |
(DE-627)OLC1992299048 (DE-599)GBVOLC1992299048 (PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900 (KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec |
title_full |
Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
author_sort |
Dou, Wenjie |
journal |
The journal of chemical physics |
journalStr |
The journal of chemical physics |
lang_code |
eng |
isOA_bool |
false |
dewey-hundreds |
500 - Science |
recordtype |
marc |
publishDateSort |
2017 |
contenttype_str_mv |
txt |
container_start_page |
92304 |
author_browse |
Dou, Wenjie |
container_volume |
146 |
class |
540 530 DE-600 |
format_se |
Aufsätze |
author-letter |
Dou, Wenjie |
doi_str_mv |
10.1063/1.4965823 |
dewey-full |
540 530 |
title_sort |
electronic friction near metal surfaces: a case where molecule-metal couplings depend on nuclear coordinates |
title_auth |
Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
abstract |
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. |
abstractGer |
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. |
abstract_unstemmed |
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics. |
collection_details |
GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 |
container_issue |
9 |
title_short |
Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates |
url |
http://dx.doi.org/10.1063/1.4965823 http://arxiv.org/abs/1606.06110 |
remote_bool |
false |
author2 |
Subotnik, Joseph E |
author2Str |
Subotnik, Joseph E |
ppnlink |
129079049 |
mediatype_str_mv |
n |
isOA_txt |
false |
hochschulschrift_bool |
false |
author2_role |
oth |
doi_str |
10.1063/1.4965823 |
up_date |
2024-07-04T04:40:31.288Z |
_version_ |
1803622055977943040 |
fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a2200265 4500</leader><controlfield tag="001">OLC1992299048</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230715041300.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">170512s2017 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1063/1.4965823</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">PQ20170721</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC1992299048</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)GBVOLC1992299048</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(PRQ)a1676-895a62fc7634712ad7aac9daf240010b0bea2ecb9820d0339cd197f8d50f8a900</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(KEY)0048355920170000146000992304electronicfrictionnearmetalsurfacesacasewheremolec</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Dou, Wenjie</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2017</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al. [Beilstein J. Nanotechnol. 3, 144 (2012)], where we now go beyond the Condon approximation (i.e., molecule-metal couplings are not held constant). Using a non-equilibrium Green’s function formalism in the adiabatic limit, we show that fluctuating metal-molecule couplings lead to new frictional damping terms and random forces, plus a correction to the potential of mean force. Numerical tests are performed and compared with a modified classical master equation; our results indicate that violating the Condon approximation can have a large effect on dynamics.</subfield></datafield><datafield tag="540" ind1=" " ind2=" "><subfield code="a">Nutzungsrecht: © Author(s)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Physics</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemical Physics</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Subotnik, Joseph E</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">The journal of chemical physics</subfield><subfield code="d">Melville, NY : AIP, 1933</subfield><subfield code="g">146(2017), 9, Seite 92304</subfield><subfield code="w">(DE-627)129079049</subfield><subfield code="w">(DE-600)3113-6</subfield><subfield code="w">(DE-576)014411660</subfield><subfield code="x">0021-9606</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:146</subfield><subfield code="g">year:2017</subfield><subfield code="g">number:9</subfield><subfield code="g">pages:92304</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">http://dx.doi.org/10.1063/1.4965823</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://dx.doi.org/10.1063/1.4965823</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://arxiv.org/abs/1606.06110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-CHE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-DE-84</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_59</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2016</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2279</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">146</subfield><subfield code="j">2017</subfield><subfield code="e">9</subfield><subfield code="h">92304</subfield></datafield></record></collection>
|
score |
7.400879 |