The role of water at electrified metal-water interfaces unravelled from first principles

Saved in:
Bibliographic Details
Published inCurrent opinion in electrochemistry Vol. 36; p. 101118
Main Authors Darby, Matthew T., Cucinotta, Clotilde S.
Format Journal Article
LanguageEnglish
Published 01.12.2022
Online AccessGet full text

Cover

ArticleNumber 101118
Author Darby, Matthew T.
Cucinotta, Clotilde S.
Author_xml – sequence: 1
  givenname: Matthew T.
  surname: Darby
  fullname: Darby, Matthew T.
– sequence: 2
  givenname: Clotilde S.
  orcidid: 0000-0001-5156-3514
  surname: Cucinotta
  fullname: Cucinotta, Clotilde S.
BookMark eNp9kM1KAzEUhbOoYK19Axd5gan5mUwz7qT4Uyi4qeAupHduMCWdlCQqvr0zjCsXbu6Fe885HL4rMutjj4TccLbijDe3xxVEDAgrwYQYT5zrGZmLWvGq5UxekmXOR8YY10JwJefkbf-ONMWANDr6ZQsmagsdM0ryzmNHT1hsqKaX74fpLGCmH32ynxjCoHApnqjzKRd6Tr4Hfw6Yr8mFsyHj8ncvyOvjw37zXO1enrab-10FUolSyUNb2w7qlsn2IMFxlFrVTccBkDnUdt3phlmwCsW6A-FUrRul2aAH5vRBLkg95UKKOSd0ZuhwsunbcGZGKOZoJihmhGImKIPt7o8NfLHFx74k68P_5h878XAT
CitedBy_id crossref_primary_10_1063_5_0246995
crossref_primary_10_1021_acs_jpclett_3c03615
crossref_primary_10_1021_jacsau_3c00552
crossref_primary_10_1021_acs_chemrev_3c00806
crossref_primary_10_1360_SSC_2023_0205
Cites_doi 10.1016/j.electacta.2021.138875
10.1088/1361-648X/ac1aa2
10.1039/C9CP06584A
10.1039/D1CP04618G
10.1088/1367-2630/11/12/125003
10.1002/cphc.201100309
10.1021/acs.jpcc.7b07472
10.1021/acs.jpclett.1c01800
10.1351/pac198658070955
10.1039/D0CP04211K
10.1021/jacsau.1c00108
10.1038/s41467-017-02673-z
10.1021/acs.jpcc.1c04895
10.1021/jp801931d
10.1038/s41563-019-0356-x
10.1021/jp067857o
10.1021/jp0631735
10.1103/PhysRevLett.126.166802
10.1038/368444a0
10.1021/acs.chemrev.1c00679
10.1021/acs.jpcc.0c02323
10.1021/acs.jpclett.1c02001
10.1021/acs.jpcc.0c11089
10.1103/PhysRevB.73.165402
10.1021/acs.jpcc.6b09019
10.1039/c2cp41652b
10.1016/j.xcrp.2022.100759
10.1103/PhysRevLett.119.016801
10.1016/S0022-0728(83)80255-1
10.1038/s41467-021-27909-x
10.1016/S0013-4686(98)00289-8
10.1021/acs.jpclett.0c01025
10.1126/sciadv.abb1219
10.1038/nmat3354
10.1016/j.cattod.2012.06.001
10.1016/0013-4686(89)85070-4
10.1016/0013-4686(75)90017-1
10.1080/00268970010018981
10.1007/978-3-642-04937-8
10.1021/acscatal.1c00538
10.1103/PhysRevLett.74.3193
10.1039/C8SC02495B
10.1021/ct900563s
10.1103/PhysRevB.39.13193
10.1103/PhysRevLett.98.066401
10.1016/S0013-4686(01)00597-7
10.1126/science.1259437
10.1039/D1SC00354B
10.1039/C4TA02760D
10.1016/S0022-0728(83)80186-7
10.1021/acs.jpcc.1c10362
10.1016/S1388-2481(03)00046-8
10.1021/jp710386g
10.1002/anie.201911929
ContentType Journal Article
DBID AAYXX
CITATION
DOI 10.1016/j.coelec.2022.101118
DatabaseName CrossRef
DatabaseTitle CrossRef
DeliveryMethod fulltext_linktorsrc
Discipline Chemistry
ExternalDocumentID 10_1016_j_coelec_2022_101118
GroupedDBID --M
0R~
AAEDT
AAEDW
AAHCO
AAKOC
AALRI
AAOAW
AAQFI
AATTM
AAXKI
AAXUO
AAYWO
AAYXX
ABJNI
ABMAC
ACDAQ
ACGFS
ACRLP
ACVFH
ADBBV
ADCNI
AEBSH
AEIPS
AEUPX
AFJKZ
AFPUW
AFTJW
AFXIZ
AFZHZ
AGCQF
AGRNS
AGUBO
AIEXJ
AIGII
AIIUN
AIKHN
AITUG
AJSZI
AKBMS
AKYEP
ALMA_UNASSIGNED_HOLDINGS
AMRAJ
ANKPU
APXCP
AXJTR
BELTK
BKOJK
BNPGV
CITATION
EBS
EFJIC
EJD
FDB
FIRID
FYGXN
KOM
M41
ROL
SPC
SPCBC
SSH
SSK
SSR
SSZ
T5K
~G-
ID FETCH-LOGICAL-c352t-3b94adc49039b3cf1e38546d1cce0fe8a7d860aca5e27dc2f5486580903c0f8b3
ISSN 2451-9103
IngestDate Tue Jul 01 04:28:42 EDT 2025
Thu Apr 24 23:05:22 EDT 2025
IsDoiOpenAccess false
IsOpenAccess true
IsPeerReviewed true
IsScholarly true
Language English
LinkModel OpenURL
MergedId FETCHMERGED-LOGICAL-c352t-3b94adc49039b3cf1e38546d1cce0fe8a7d860aca5e27dc2f5486580903c0f8b3
ORCID 0000-0001-5156-3514
OpenAccessLink https://doi.org/10.1016/j.coelec.2022.101118
ParticipantIDs crossref_primary_10_1016_j_coelec_2022_101118
crossref_citationtrail_10_1016_j_coelec_2022_101118
ProviderPackageCode CITATION
AAYXX
PublicationCentury 2000
PublicationDate 2022-12-00
PublicationDateYYYYMMDD 2022-12-01
PublicationDate_xml – month: 12
  year: 2022
  text: 2022-12-00
PublicationDecade 2020
PublicationTitle Current opinion in electrochemistry
PublicationYear 2022
References Kornyshev (10.1016/j.coelec.2022.101118_bib24) 2007; 111
Groß (10.1016/j.coelec.2022.101118_sref5) 2022; 122
Carrasco (10.1016/j.coelec.2022.101118_bib16) 2012; 11
Hanke (10.1016/j.coelec.2022.101118_bib23) 2001; 99
Shin (10.1016/j.coelec.2022.101118_bib44) 2022; 13
Kelly (10.1016/j.coelec.2022.101118_bib46) 2022; 126
Kühne (10.1016/j.coelec.2022.101118_bib30) 2007; 98
Lan (10.1016/j.coelec.2022.101118_bib32) 2020; 11
Gkionis (10.1016/j.coelec.2022.101118_bib18) 2014; 2
Lin (10.1016/j.coelec.2022.101118_bib33) 2022; 24
Frumkin (10.1016/j.coelec.2022.101118_bib38) 1975; 20
Taylor (10.1016/j.coelec.2022.101118_bib40) 2006; 73
Gaiduk (10.1016/j.coelec.2022.101118_bib61) 2018; 9
Ceriotti (10.1016/j.coelec.2022.101118_bib62) 2010; 6
Kronberg (10.1016/j.coelec.2022.101118_bib13) 2021; 11
Khatib (10.1016/j.coelec.2022.101118_sref4) 2021; 391
Spohr (10.1016/j.coelec.2022.101118_bib21) 1997; 107
Surendralal (10.1016/j.coelec.2022.101118_sref6) 2021; 126
Li (10.1016/j.coelec.2022.101118_bib53) 2021; 12
Le (10.1016/j.coelec.2022.101118_sref10) 2020; 6
Goldsmith (10.1016/j.coelec.2022.101118_bib34) 2021; 12
Badiali (10.1016/j.coelec.2022.101118_bib29) 1983; 143
Li (10.1016/j.coelec.2022.101118_bib47) 2022; 156
Sakong (10.1016/j.coelec.2022.101118_bib37) 2016; 144
Santos (10.1016/j.coelec.2022.101118_bib49) 2011; 12
Cheng (10.1016/j.coelec.2022.101118_bib60) 2012; 14
Rossmeisl (10.1016/j.coelec.2022.101118_bib50) 2006; 110
Kronberg (10.1016/j.coelec.2022.101118_bib12) 2020; 124
Li (10.1016/j.coelec.2022.101118_bib14) 2022; 3
Xia (10.1016/j.coelec.2022.101118_bib20) 1995; 74
Le (10.1016/j.coelec.2022.101118_sref15) 2021; 1
Trasatti (10.1016/j.coelec.2022.101118_bib39) 1986; 58
Pajkossy (10.1016/j.coelec.2022.101118_bib56) 2003; 5
Li (10.1016/j.coelec.2022.101118_bib36) 2021; 12
Pajkossy (10.1016/j.coelec.2022.101118_bib55) 2001; 46
Raghavan (10.1016/j.coelec.2022.101118_bib17) 1991; 94
Heinz (10.1016/j.coelec.2022.101118_bib19) 2008; 112
Spohr (10.1016/j.coelec.2022.101118_bib25) 1999; 44
Hansen (10.1016/j.coelec.2022.101118_bib41) 2016; 120
Le (10.1016/j.coelec.2022.101118_bib11) 2017; 119
Toney (10.1016/j.coelec.2022.101118_bib2) 1994; 368
Russier (10.1016/j.coelec.2022.101118_bib27) 1989; 39
Sakong (10.1016/j.coelec.2022.101118_bib7) 2020; 22
Li (10.1016/j.coelec.2022.101118_bib43) 2019; 18
Ojha (10.1016/j.coelec.2022.101118_bib45) 2020; 59
10.1016/j.coelec.2022.101118_bib26
Li (10.1016/j.coelec.2022.101118_sref9) 2021; 125
Kornyshev (10.1016/j.coelec.2022.101118_bib58) 1989; 34
Schnur (10.1016/j.coelec.2022.101118_bib22) 2009; 11
Zhu (10.1016/j.coelec.2022.101118_bib35) 2021; 125
Huang (10.1016/j.coelec.2022.101118_bib57) 2018; 148
Trasatti (10.1016/j.coelec.2022.101118_bib42) 1977
Kristoffersen (10.1016/j.coelec.2022.101118_bib52) 2018; 9
Guo (10.1016/j.coelec.2022.101118_bib59) 1997
Tesch (10.1016/j.coelec.2022.101118_bib31) 2021; 33
Badiali (10.1016/j.coelec.2022.101118_bib28) 1983; 150
Roman (10.1016/j.coelec.2022.101118_bib48) 2013; 202
Sakong (10.1016/j.coelec.2022.101118_bib8) 2018; 149
Osawa (10.1016/j.coelec.2022.101118_bib3) 2008; 112
Velasco-Velez (10.1016/j.coelec.2022.101118_bib1) 2014; 346
Li (10.1016/j.coelec.2022.101118_bib54) 2020; 22
Tripkovic (10.1016/j.coelec.2022.101118_bib51) 2017; 121
References_xml – volume: 391
  start-page: 138875
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_sref4
  article-title: The nanoscale structure of the Pt-water double layer under bias revealed
  publication-title: Electrochim Acta
  doi: 10.1016/j.electacta.2021.138875
– volume: 107
  start-page: 6342
  year: 1997
  ident: 10.1016/j.coelec.2022.101118_bib21
  article-title: Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions
  publication-title: J Chem Phys
– volume: 33
  start-page: 444004
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib31
  article-title: Properties of the Pt(111)/electrolyte electrochemical interface studied with a hybrid DFT–solvation approach
  publication-title: J Phys Condens Matter
  doi: 10.1088/1361-648X/ac1aa2
– volume: 22
  start-page: 10431
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_bib7
  article-title: Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions
  publication-title: Phys Chem Chem Phys
  doi: 10.1039/C9CP06584A
– volume: 24
  start-page: 6803
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_bib33
  article-title: A first-principles study of water adsorbed on flat and stepped silver surfaces
  publication-title: Phys Chem Chem Phys
  doi: 10.1039/D1CP04618G
– volume: 11
  start-page: 125003
  year: 2009
  ident: 10.1016/j.coelec.2022.101118_bib22
  article-title: Properties of metal–water interfaces studied from first principles
  publication-title: New J Phys
  doi: 10.1088/1367-2630/11/12/125003
– volume: 12
  start-page: 2274
  year: 2011
  ident: 10.1016/j.coelec.2022.101118_bib49
  article-title: Hydrogen electrocatalysis on single crystals and on nanostructured electrodes
  publication-title: ChemPhysChem
  doi: 10.1002/cphc.201100309
– volume: 121
  start-page: 26785
  year: 2017
  ident: 10.1016/j.coelec.2022.101118_bib51
  article-title: Potential- and rate-determining step for oxygen reduction on Pt(111)
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.7b07472
– volume: 12
  start-page: 6448
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib53
  article-title: Cross-sphere electrode reaction: the case of hydroxyl desorption during the oxygen reduction reaction on Pt(111) in alkaline media
  publication-title: J Phys Chem Lett
  doi: 10.1021/acs.jpclett.1c01800
– volume: 58
  start-page: 955
  year: 1986
  ident: 10.1016/j.coelec.2022.101118_bib39
  article-title: The absolute electrode potential: an explanatory note (Recommendations 1986)
  publication-title: Pure Appl Chem
  doi: 10.1351/pac198658070955
– volume: 22
  start-page: 22226
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_bib54
  article-title: Solvated proton and the origin of the high onset overpotential in the oxygen reduction reaction on Pt(111)
  publication-title: Phys Chem Chem Phys
  doi: 10.1039/D0CP04211K
– volume: 1
  start-page: 569
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_sref15
  article-title: Modeling electrified Pt(111)-had/water interfaces from ab initio molecular dynamics
  publication-title: JACS Au
  doi: 10.1021/jacsau.1c00108
– volume: 9
  start-page: 247
  year: 2018
  ident: 10.1016/j.coelec.2022.101118_bib61
  article-title: Electron affinity of liquid water
  publication-title: Nat Commun
  doi: 10.1038/s41467-017-02673-z
– volume: 149
  year: 2018
  ident: 10.1016/j.coelec.2022.101118_bib8
  article-title: The electric double layer at metal-water interfaces revisited based on a charge polarization scheme
  publication-title: J Chem Phys
– volume: 125
  start-page: 21571
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib35
  article-title: Effects of adsorbed OH on Pt(100)/water interfacial structures and potential
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.1c04895
– volume: 112
  start-page: 17281
  year: 2008
  ident: 10.1016/j.coelec.2022.101118_bib19
  article-title: Accurate simulation of surfaces and interfaces of face-centered cubic metals using 12−6 and 9−6 Lennard-Jones potentials
  publication-title: J Phys Chem C
  doi: 10.1021/jp801931d
– volume: 18
  start-page: 697
  year: 2019
  ident: 10.1016/j.coelec.2022.101118_bib43
  article-title: In situ probing electrified interfacial water structures at atomically flat surfaces
  publication-title: Nat Mater
  doi: 10.1038/s41563-019-0356-x
– volume: 111
  start-page: 5545
  year: 2007
  ident: 10.1016/j.coelec.2022.101118_bib24
  article-title: Double-layer in ionic liquids: paradigm change?
  publication-title: J Phys Chem B
  doi: 10.1021/jp067857o
– volume: 148
  year: 2018
  ident: 10.1016/j.coelec.2022.101118_bib57
  article-title: Double layer of platinum electrodes: non-monotonic surface charging phenomena and negative double layer capacitance
  publication-title: J Chem Phys
– volume: 110
  start-page: 21833
  year: 2006
  ident: 10.1016/j.coelec.2022.101118_bib50
  article-title: Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111)
  publication-title: J Phys Chem B
  doi: 10.1021/jp0631735
– volume: 126
  start-page: 166802
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_sref6
  article-title: Impact of water coadsorption on the electrode potential of H-Pt(1 1 1)-liquid water interfaces
  publication-title: Phys Rev Lett
  doi: 10.1103/PhysRevLett.126.166802
– volume: 368
  start-page: 444
  year: 1994
  ident: 10.1016/j.coelec.2022.101118_bib2
  article-title: Voltage-dependent ordering of water molecules at an electrode–electrolyte interface
  publication-title: Nature
  doi: 10.1038/368444a0
– volume: 122
  start-page: 10746
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_sref5
  article-title: Ab initio simulations of water/metal interfaces
  publication-title: Chem Rev
  doi: 10.1021/acs.chemrev.1c00679
– volume: 94
  start-page: 2110
  year: 1991
  ident: 10.1016/j.coelec.2022.101118_bib17
  article-title: Structure and dynamics of water at the Pt(111) interface: molecular dynamics study
  publication-title: J Chem Phys
– volume: 124
  start-page: 13706
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_bib12
  article-title: Coupling surface coverage and electrostatic effects on the interfacial adlayer–water structure of hydrogenated single-crystal platinum electrodes
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.0c02323
– volume: 12
  start-page: 7299
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib36
  article-title: Linear correlation between water adsorption energies and volta potential differences for metal/water interfaces
  publication-title: J Phys Chem Lett
  doi: 10.1021/acs.jpclett.1c02001
– volume: 144
  start-page: 194701
  year: 2016
  ident: 10.1016/j.coelec.2022.101118_bib37
  article-title: The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles
  publication-title: J Chem Phys
– volume: 125
  start-page: 3972
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_sref9
  article-title: Establishment of the potential of zero charge of metals in aqueous solutions: different faces of water revealed by ab initio molecular dynamics simulations
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.0c11089
– volume: 73
  start-page: 165402
  year: 2006
  ident: 10.1016/j.coelec.2022.101118_bib40
  article-title: First principles reaction modeling of the electrochemical interface: consideration and calculation of a tunable surface potential from atomic and electronic structure
  publication-title: Phys Rev B
  doi: 10.1103/PhysRevB.73.165402
– year: 1997
  ident: 10.1016/j.coelec.2022.101118_bib59
  article-title: Density functional theory and its applications to hydrogen bonded systems
– volume: 120
  start-page: 29135
  year: 2016
  ident: 10.1016/j.coelec.2022.101118_bib41
  article-title: pH in grand canonical statistics of an electrochemical interface
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.6b09019
– volume: 14
  start-page: 11245
  year: 2012
  ident: 10.1016/j.coelec.2022.101118_bib60
  article-title: Alignment of electronic energy levels at electrochemical interfaces
  publication-title: Phys Chem Chem Phys
  doi: 10.1039/c2cp41652b
– volume: 3
  start-page: 100759
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_bib14
  article-title: Unraveling molecular structures and ion effects of electric double layers at metal water interfaces
  publication-title: Cell Reports Physical Science
  doi: 10.1016/j.xcrp.2022.100759
– volume: 119
  year: 2017
  ident: 10.1016/j.coelec.2022.101118_bib11
  article-title: Determining potentials of zero charge of metal electrodes versus the standard hydrogen electrode from density-functional-theory-based molecular dynamics
  publication-title: Phys Rev Lett
  doi: 10.1103/PhysRevLett.119.016801
– volume: 143
  start-page: 73
  year: 1983
  ident: 10.1016/j.coelec.2022.101118_bib29
  article-title: Contribution of the metal to the differential capacity of an ideally polarisable electrode
  publication-title: J Electroanal Chem Interfacial Electrochem
  doi: 10.1016/S0022-0728(83)80255-1
– volume: 13
  start-page: 174
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_bib44
  article-title: On the importance of the electric double layer structure in aqueous electrocatalysis
  publication-title: Nat Commun
  doi: 10.1038/s41467-021-27909-x
– volume: 44
  start-page: 1697
  year: 1999
  ident: 10.1016/j.coelec.2022.101118_bib25
  article-title: Molecular simulation of the electrochemical double layer
  publication-title: Electrochim Acta
  doi: 10.1016/S0013-4686(98)00289-8
– volume: 11
  start-page: 3724
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_bib32
  article-title: Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces
  publication-title: J Phys Chem Lett
  doi: 10.1021/acs.jpclett.0c01025
– volume: 6
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_sref10
  article-title: Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface
  publication-title: Sci Adv
  doi: 10.1126/sciadv.abb1219
– volume: 11
  start-page: 667
  year: 2012
  ident: 10.1016/j.coelec.2022.101118_bib16
  article-title: A molecular perspective of water at metal interfaces
  publication-title: Nat Mater
  doi: 10.1038/nmat3354
– volume: 202
  start-page: 183
  year: 2013
  ident: 10.1016/j.coelec.2022.101118_bib48
  article-title: Structure of water layers on hydrogen-covered Pt electrodes
  publication-title: Catal Today
  doi: 10.1016/j.cattod.2012.06.001
– volume: 34
  start-page: 1829
  year: 1989
  ident: 10.1016/j.coelec.2022.101118_bib58
  article-title: Metal electrons in the double layer theory
  publication-title: Electrochim Acta
  doi: 10.1016/0013-4686(89)85070-4
– volume: 20
  start-page: 347
  year: 1975
  ident: 10.1016/j.coelec.2022.101118_bib38
  article-title: Potentials of zero total and zero free charge of platinum group metals
  publication-title: Electrochim Acta
  doi: 10.1016/0013-4686(75)90017-1
– volume: 99
  start-page: 801
  year: 2001
  ident: 10.1016/j.coelec.2022.101118_bib23
  article-title: Intermolecular potentials for simulations of liquid imidazolium salts
  publication-title: Mol Phys
  doi: 10.1080/00268970010018981
– ident: 10.1016/j.coelec.2022.101118_bib26
  doi: 10.1007/978-3-642-04937-8
– volume: 11
  start-page: 8062
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib13
  article-title: Reconciling the experimental and computational hydrogen evolution activities of Pt(111) through DFT-based constrained MD simulations
  publication-title: ACS Catal
  doi: 10.1021/acscatal.1c00538
– volume: 74
  start-page: 3193
  year: 1995
  ident: 10.1016/j.coelec.2022.101118_bib20
  article-title: Electric-field induced restructuring of water at a platinum-water interface: a molecular dynamics computer simulation
  publication-title: Phys Rev Lett
  doi: 10.1103/PhysRevLett.74.3193
– volume: 9
  start-page: 6912
  year: 2018
  ident: 10.1016/j.coelec.2022.101118_bib52
  article-title: OH formation and H2 adsorption at the liquid water–Pt(111) interface
  publication-title: Chem Sci
  doi: 10.1039/C8SC02495B
– volume: 6
  start-page: 1170
  year: 2010
  ident: 10.1016/j.coelec.2022.101118_bib62
  article-title: Colored-Noise Thermostats à la Carte
  publication-title: J Chem Theor Comput
  doi: 10.1021/ct900563s
– volume: 39
  start-page: 13193
  year: 1989
  ident: 10.1016/j.coelec.2022.101118_bib27
  article-title: Calculation of the electronic work function of Cu and Ag from an extended jellium model
  publication-title: Phys Rev B
  doi: 10.1103/PhysRevB.39.13193
– volume: 98
  year: 2007
  ident: 10.1016/j.coelec.2022.101118_bib30
  article-title: Efficient and accurate car-parrinello-like approach to born-oppenheimer molecular dynamics
  publication-title: Phys Rev Lett
  doi: 10.1103/PhysRevLett.98.066401
– volume: 46
  start-page: 3063
  year: 2001
  ident: 10.1016/j.coelec.2022.101118_bib55
  article-title: Double layer capacitance of Pt(111) single crystal electrodes
  publication-title: Electrochim Acta
  doi: 10.1016/S0013-4686(01)00597-7
– volume: 346
  start-page: 831
  year: 2014
  ident: 10.1016/j.coelec.2022.101118_bib1
  article-title: The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy
  publication-title: Science
  doi: 10.1126/science.1259437
– volume: 12
  start-page: 5865
  year: 2021
  ident: 10.1016/j.coelec.2022.101118_bib34
  article-title: Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics
  publication-title: Chem Sci
  doi: 10.1039/D1SC00354B
– year: 1977
  ident: 10.1016/j.coelec.2022.101118_bib42
– volume: 2
  start-page: 16498
  year: 2014
  ident: 10.1016/j.coelec.2022.101118_bib18
  article-title: Molecular dynamics investigation of carbon nanotube junctions in non-aqueous solutions
  publication-title: J Mater Chem
  doi: 10.1039/C4TA02760D
– volume: 150
  start-page: 25
  year: 1983
  ident: 10.1016/j.coelec.2022.101118_bib28
  article-title: The metal in the polarisable interface coupling with the solvent phase
  publication-title: J Electroanal Chem Interfacial Electrochem
  doi: 10.1016/S0022-0728(83)80186-7
– volume: 126
  start-page: 5521
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_bib46
  article-title: OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces
  publication-title: J Phys Chem C
  doi: 10.1021/acs.jpcc.1c10362
– volume: 5
  start-page: 283
  year: 2003
  ident: 10.1016/j.coelec.2022.101118_bib56
  article-title: On the origin of the double layer capacitance maximum of Pt(111) single crystal electrodes
  publication-title: Electrochem Commun
  doi: 10.1016/S1388-2481(03)00046-8
– volume: 156
  year: 2022
  ident: 10.1016/j.coelec.2022.101118_bib47
  article-title: Microscopic EDL structures and charge–potential relation on stepped platinum surface: insights from the ab initio molecular dynamics simulations
  publication-title: J Chem Phys
– volume: 112
  start-page: 4248
  year: 2008
  ident: 10.1016/j.coelec.2022.101118_bib3
  article-title: Structure of water at the electrified Platinum−Water interface: a study by surface-enhanced infrared absorption spectroscopy
  publication-title: J Phys Chem C
  doi: 10.1021/jp710386g
– volume: 59
  start-page: 711
  year: 2020
  ident: 10.1016/j.coelec.2022.101118_bib45
  article-title: Double layer at the Pt(111)–aqueous electrolyte interface: potential of zero charge and anomalous gouy–chapman screening
  publication-title: Angew Chem Int Ed
  doi: 10.1002/anie.201911929
SSID ssj0001822153
Score 2.2808068
SecondaryResourceType review_article
SourceID crossref
SourceType Enrichment Source
Index Database
StartPage 101118
Title The role of water at electrified metal-water interfaces unravelled from first principles
Volume 36
hasFullText 1
inHoldings 1
isFullTextHit
isPrint
link http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1ba9swFBZZ-rC9lO7G2nVDD3sLNrYlJ_JjCRvZrS9LIW9GOpYgxXNK5zDor--R5Iu6lbLuxQRHFkLfx_Gn43Mh5ANL5xqh1hGAMBFXFdpBw1XEocpZrlAxuAy57-fz1QX_ssk3k8m3IGpp36oYbu7NK_kfVPEe4mqzZB-B7DAp3sDfiC9eEWG8_jPGfXjgb2nLHeJx3ze22RqrLX9q1NaR_8sWhrg2LgJr39imQ3WNI1x6idmiBpxd9X73X6Fi7Qs42cSqLi6ya50Dfa-4O95unwDkmojP1vHwiWMP22bXeqm6rHfttq707EccOh2yLAjgcLYp43mKdjJhoSFloSVMbRN7ca-R9v6CS9x4u97Yzh-Pw-_WxP7jXTVEEPbBaZeln6W0s5R-lifkIMNDQzYlB2efv67OR58bqqHUFSYd1t9nU7qQv78XFKiVQHasj8hhd16gZx7852Simxfk6bLf-pdkgySglgR0Z6hDmsqWBiSgAQnoSAI6koBaElBHAjqS4BW5-PRxvVxFXbuMCFBFtxFTBZcV8CJhhWJgUs1EzudVCqATo4VcVGKeSJC5zhYVZAYPq6g_raMOEiMUe02mza7RbwjlCymULIqFqAo06kqqRBc8T5RMjQAGx4T121JCV0vetjSpy4dwOSbR8NSVr6Xy4PiTR45_S56NXD0l0_Z6r9-hZGzV-44JtylIb00
linkProvider Elsevier
openUrl ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=The+role+of+water+at+electrified+metal-water+interfaces+unravelled+from+first+principles&rft.jtitle=Current+opinion+in+electrochemistry&rft.au=Darby%2C+Matthew+T.&rft.au=Cucinotta%2C+Clotilde+S.&rft.date=2022-12-01&rft.issn=2451-9103&rft.volume=36&rft.spage=101118&rft_id=info:doi/10.1016%2Fj.coelec.2022.101118&rft.externalDBID=n%2Fa&rft.externalDocID=10_1016_j_coelec_2022_101118
thumbnail_l http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=2451-9103&client=summon
thumbnail_m http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=2451-9103&client=summon
thumbnail_s http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=2451-9103&client=summon