Hysteretic order-disorder transitions of ionic liquid double layer structure on graphite

Tsai, Wan-Yu; Come, Jeremy E.; Zhao, Wei; Wang, Runxi; Feng, Guang; Prasad Thapaliya, Bishnu; Dai, Sheng; Collins, Liam F.; Balke, Nina

doi:10.1016/j.nanoen.2019.04.022

Title: Hysteretic order-disorder transitions of ionic liquid double layer structure on graphite

Journal Article · Tue Apr 09 00:00:00 EDT 2019 · Nano Energy

DOI:https://doi.org/10.1016/j.nanoen.2019.04.022· OSTI ID:1528714

^[1];

^[1]; Zhao, Wei ^[2]; Wang, Runxi ^[2]; Feng, Guang ^[2]; Prasad Thapaliya, Bishnu ^[3];

^[4];

^[1];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Huazhong University of Science and Technology (HUST), Wuhan (China)
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Understanding the electrical double layer (EDL) structure at the solid/liquid interface is critical towards realizing the full potential of electrochemical applications using ionic liquids. Here, the out-of-plane and in-plane EDL structures of PYR14-TFSI on graphite (HOPG) have been studied by in-situ electrochemical atomic force microscopy (AFM) and molecular dynamics (MD) simulation. AFM results revealed that the first adsorbed ion layer on HOPG consists of both disordered and ordered lateral domains. It has been found that the neighboring molecules in the x-y plane form intricate ordered lateral structures on length scale of hundreds of nanometers, and the out-of-plane EDL structure is independent of the in-plane structure. MD simulations under zero polarization showed that in the first adsorbed layer, cations have one preferred orientation while anions have two preferred orientations in relation to the HOPG surface, which might be the origin of the complex lateral ordering. When polarizing the surface, a hysteretic order-disorder transition of the lateral ordering in the first adsorbed layer can be observed by in-situ AFM, and the ordered domains disappear for high positive or negative voltages. Finally, comparison with bias-dependent MD reveals that the existence of a bimodal anion distribution in the first absorbed layer can be linked to the observed transitions giving new insights into the origin of the structural domains, which can help understand unusual charge and discharge kinetics observed in similar systems.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1528714

Journal Information:: Nano Energy, Vol. 60, Issue C; ISSN 2211-2855

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 15 works

Citation information provided by
Web of Science

References (58)

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis Welton, Thomas Chemical Reviews, Vol. 99, Issue 8, p. 2071-2084 https://doi.org/10.1021/cr980032t	journal	August 1999
Ionic-liquid materials for the electrochemical challenges of the future Armand, Michel; Endres, Frank; MacFarlane, Douglas R. Nature Materials, Vol. 8, Issue 8, p. 621-629 https://doi.org/10.1038/nmat2448	journal	July 2009
Structure and Nanostructure in Ionic Liquids Hayes, Robert; Warr, Gregory G.; Atkin, Rob Chemical Reviews, Vol. 115, Issue 13 https://doi.org/10.1021/cr500411q	journal	June 2015
Energy applications of ionic liquids MacFarlane, Douglas R.; Tachikawa, Naoki; Forsyth, Maria Energy Environ. Sci., Vol. 7, Issue 1 https://doi.org/10.1039/C3EE42099J	journal	January 2014
Ionic liquids and derived materials for lithium and sodium batteries Yang, Qiwei; Zhang, Zhaoqiang; Sun, Xiao-Guang Chemical Society Reviews, Vol. 47, Issue 6 https://doi.org/10.1039/C7CS00464H	journal	January 2018
Sur la constitution de la charge électrique à la surface d'un électrolyte Gouy, M. Journal de Physique Théorique et Appliquée, Vol. 9, Issue 1 https://doi.org/10.1051/jphystap:019100090045700	journal	January 1910
LI. A contribution to the theory of electrocapillarity Chapman, David Leonard The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 25, Issue 148 https://doi.org/10.1080/14786440408634187	journal	April 1913
Double-Layer in Ionic Liquids: Paradigm Change? Kornyshev, Alexei A. The Journal of Physical Chemistry B, Vol. 111, Issue 20 https://doi.org/10.1021/jp067857o	journal	May 2007
Towards understanding the structure and capacitance of electrical double layer in ionic liquids Fedorov, Maxim V.; Kornyshev, Alexei A. Electrochimica Acta, Vol. 53, Issue 23 https://doi.org/10.1016/j.electacta.2008.02.065	journal	October 2008
Double Layer in Ionic Liquids: Overscreening versus Crowding Bazant, Martin Z.; Storey, Brian D.; Kornyshev, Alexei A. Physical Review Letters, Vol. 106, Issue 4 https://doi.org/10.1103/PhysRevLett.106.046102	journal	January 2011
Partial breaking of the Coulombic ordering of ionic liquids confined in carbon nanopores Futamura, Ryusuke; Iiyama, Taku; Takasaki, Yuma Nature Materials, Vol. 16, Issue 12 https://doi.org/10.1038/nmat4974	journal	September 2017
Microstructure and Capacitance of the Electrical Double Layers at the Interface of Ionic Liquids and Planar Electrodes Feng, G.; Zhang, J. S.; Qiao, R. The Journal of Physical Chemistry C, Vol. 113, Issue 11 https://doi.org/10.1021/jp809900w	journal	February 2009
Molecular Insights into Carbon Supercapacitors Based on Room-Temperature Ionic Liquids Feng, Guang; Li, Song; Presser, Volker The Journal of Physical Chemistry Letters, Vol. 4, Issue 19 https://doi.org/10.1021/jz4014163	journal	September 2013
Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations Merlet, Céline; Salanne, Mathieu; Rotenberg, Benjamin The Journal of Physical Chemistry C, Vol. 115, Issue 33 https://doi.org/10.1021/jp205461g	journal	August 2011
Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces? Merlet, Céline; Péan, Clarisse; Rotenberg, Benjamin The Journal of Physical Chemistry Letters, Vol. 4, Issue 2 https://doi.org/10.1021/jz3019226	journal	December 2012
Molecular Insights into the Electric Double Layers of Ionic Liquids on Au(100) Electrodes Sha, Maolin; Dou, Qiang; Luo, Fabao ACS Applied Materials & Interfaces, Vol. 6, Issue 15 https://doi.org/10.1021/am502413m	journal	July 2014
Self-assembly in the electrical double layer of ionic liquids Perkin, Susan; Crowhurst, Lorna; Niedermeyer, Heiko Chemical Communications, Vol. 47, Issue 23 https://doi.org/10.1039/c1cc11322d	journal	January 2011
Ionic liquids in confined geometries Perkin, Susan Physical Chemistry Chemical Physics, Vol. 14, Issue 15 https://doi.org/10.1039/c2cp23814d	journal	January 2012
Monolayer to Bilayer Structural Transition in Confined Pyrrolidinium-Based Ionic Liquids Smith, Alexander M.; Lovelock, Kevin R. J.; Gosvami, Nitya Nand The Journal of Physical Chemistry Letters, Vol. 4, Issue 3 https://doi.org/10.1021/jz301965d	journal	January 2013
AFM and STM Studies on the Surface Interaction of [BMP]TFSA and [EMIm]TFSA Ionic Liquids with Au(111) Atkin, Rob; El Abedin, Sherif Zein; Hayes, Robert The Journal of Physical Chemistry C, Vol. 113, Issue 30 https://doi.org/10.1021/jp9026755	journal	July 2009
Combined STM, AFM, and DFT Study of the Highly Ordered Pyrolytic Graphite/1-Octyl-3-methyl-imidazolium Bis(trifluoromethylsulfonyl)imide Interface Carstens, Timo; Gustus, René; Höfft, Oliver The Journal of Physical Chemistry C, Vol. 118, Issue 20 https://doi.org/10.1021/jp501260t	journal	May 2014
In Situ Atomic Force Microscopic Studies of the Interfacial Multilayer Nanostructure of LiTFSI–[Py _1, 4 ]TFSI on Au(111): Influence of Li ⁺ Ion Concentration on the Au(111)/IL Interface Lahiri, Abhishek; Carstens, Timo; Atkin, Rob The Journal of Physical Chemistry C, Vol. 119, Issue 29 https://doi.org/10.1021/acs.jpcc.5b04562	journal	July 2015
Bias-Dependent Molecular-Level Structure of Electrical Double Layer in Ionic Liquid on Graphite Black, Jennifer M.; Walters, Deron; Labuda, Aleksander Nano Letters, Vol. 13, Issue 12, p. 5954-5960 https://doi.org/10.1021/nl4031083	journal	November 2013
Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy Black, Jennifer M.; Zhu, Mengyang; Zhang, Pengfei Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep32389	journal	September 2016
Topological defects in electric double layers of ionic liquids at carbon interfaces Black, Jennifer M.; Baris Okatan, M.; Feng, Guang Nano Energy, Vol. 15 https://doi.org/10.1016/j.nanoen.2015.05.037	journal	July 2015
Molecular Layering of Fluorinated Ionic Liquids at a Charged Sapphire (0001) Surface Mezger, M.; Schroder, H.; Reichert, H. Science, Vol. 322, Issue 5900 https://doi.org/10.1126/science.1164502	journal	October 2008
Structural Origins of Potential Dependent Hysteresis at the Electrified Graphene/Ionic Liquid Interface Uysal, Ahmet; Zhou, Hua; Feng, Guang The Journal of Physical Chemistry C, Vol. 118, Issue 1 https://doi.org/10.1021/jp4111025	journal	December 2013
Molecular scale structure and dynamics at an ionic liquid/electrode interface Reichert, Peter; Kjær, Kasper Skov; Brandt van Driel, Tim Faraday Discussions, Vol. 206 https://doi.org/10.1039/C7FD00171A	journal	January 2018
Interfacial ionic ‘liquids’: connecting static and dynamic structures Uysal, Ahmet; Zhou, Hua; Feng, Guang Journal of Physics: Condensed Matter, Vol. 27, Issue 3 https://doi.org/10.1088/0953-8984/27/3/032101	journal	December 2014
Voltage-Controlled Interfacial Layering in an Ionic Liquid on SrTiO ₃ Petach, Trevor A.; Mehta, Apurva; Marks, Ronald ACS Nano, Vol. 10, Issue 4 https://doi.org/10.1021/acsnano.6b00645	journal	March 2016
The interface between Au(100) and 1-butyl-3-methyl-imidazolium-bis(trifluoromethylsulfonyl)imide Müller, Claus; Vesztergom, Soma; Pajkossy, Tamás Journal of Electroanalytical Chemistry, Vol. 737 https://doi.org/10.1016/j.jelechem.2014.06.010	journal	January 2015
Interaction of a Self-Assembled Ionic Liquid Layer with Graphite(0001): A Combined Experimental and Theoretical Study Buchner, Florian; Forster-Tonigold, Katrin; Bozorgchenani, Maral The Journal of Physical Chemistry Letters, Vol. 7, Issue 2 https://doi.org/10.1021/acs.jpclett.5b02449	journal	January 2016
In Situ Video-STM Study of Adlayer Structure and Surface Dynamics at the Ionic Liquid/Au (111) Interface Wen, Rui; Rahn, Björn; Magnussen, Olaf. M. The Journal of Physical Chemistry C, Vol. 120, Issue 29 https://doi.org/10.1021/acs.jpcc.5b11590	journal	February 2016
Adsorbed and near surface structure of ionic liquids at a solid interface Segura, Juan José; Elbourne, Aaron; Wanless, Erica J. Physical Chemistry Chemical Physics, Vol. 15, Issue 9 https://doi.org/10.1039/c3cp44163f	journal	January 2013
Nanostructure of the Ionic Liquid–Graphite Stern Layer Elbourne, Aaron; McDonald, Samila; Voïchovsky, Kislon ACS Nano, Vol. 9, Issue 7 https://doi.org/10.1021/acsnano.5b02921	journal	June 2015
Ion structure controls ionic liquid near-surface and interfacial nanostructure Elbourne, Aaron; Voïtchovsky, Kislon; Warr, Gregory G. Chemical Science, Vol. 6, Issue 1 https://doi.org/10.1039/C4SC02727B	journal	January 2015
Metal ion adsorption at the ionic liquid–mica interface McDonald, Samila; Elbourne, Aaron; Warr, Gregory G. Nanoscale, Vol. 8, Issue 2 https://doi.org/10.1039/C5NR05833C	journal	January 2016
Frequency Modulation Atomic Force Microscopy in Ionic Liquid Using Quartz Tuning Fork Sensors Ichii, Takashi; Fujimura, Motohiko; Negami, Masahiro Japanese Journal of Applied Physics, Vol. 51 https://doi.org/10.1143/JJAP.51.08KB08	journal	August 2012
Development of Local Analysis Technique of Electric Double Layer at Electrode Interfaces and Its Application to Ionic Liquid Interfaces Fukui, Ken-ichi Bulletin of the Chemical Society of Japan, Vol. 91, Issue 8 https://doi.org/10.1246/bcsj.20180086	journal	August 2018
3-Dimensional Structure of a Prototypical Ionic Liquid–Solid Interface: Ionic Crystal-Like Behavior Induced by Molecule–Substrate Interactions Ebeling, Daniel; Bradler, Stephan; Roling, Bernhard The Journal of Physical Chemistry C, Vol. 120, Issue 22 https://doi.org/10.1021/acs.jpcc.6b02232	journal	May 2016
Electrochemical investigations of ionic liquids with vinylene carbonate for applications in rechargeable lithium ion batteries Sun, Xiao-Guang; Dai, Sheng Electrochimica Acta, Vol. 55, Issue 15, p. 4618-4626 https://doi.org/10.1016/j.electacta.2010.03.019	journal	June 2010
Calibration of rectangular atomic force microscope cantilevers Sader, John E.; Chon, James W. M.; Mulvaney, Paul Review of Scientific Instruments, Vol. 70, Issue 10 https://doi.org/10.1063/1.1150021	journal	October 1999
Noninvasive determination of optical lever sensitivity in atomic force microscopy Higgins, M. J.; Proksch, R.; Sader, J. E. Review of Scientific Instruments, Vol. 77, Issue 1 https://doi.org/10.1063/1.2162455	journal	January 2006
Modelling of graphene functionalization Pykal, Martin; Jurečka, Petr; Karlický, František Physical Chemistry Chemical Physics, Vol. 18, Issue 9 https://doi.org/10.1039/C5CP03599F	journal	January 2016
Systematic Refinement of Canongia Lopes–Pádua Force Field for Pyrrolidinium-Based Ionic Liquids Chaban, Vitaly V.; Voroshylova, Iuliia V. The Journal of Physical Chemistry B, Vol. 119, Issue 20 https://doi.org/10.1021/jp5122678	journal	May 2015
GROMACS: A message-passing parallel molecular dynamics implementation Berendsen, H. J. C.; van der Spoel, D.; van Drunen, R. Computer Physics Communications, Vol. 91, Issue 1-3 https://doi.org/10.1016/0010-4655(95)00042-E	journal	September 1995
Ewald summation for systems with slab geometry Yeh, In-Chul; Berkowitz, Max L. The Journal of Chemical Physics, Vol. 111, Issue 7 https://doi.org/10.1063/1.479595	journal	August 1999
LINCS: A linear constraint solver for molecular simulations Hess, Berk; Bekker, Henk; Berendsen, Herman J. C. Journal of Computational Chemistry, Vol. 18, Issue 12 https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H	journal	September 1997
Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces Feng, Guang; Jiang, De-en; Cummings, Peter T. Journal of Chemical Theory and Computation, Vol. 8, Issue 3 https://doi.org/10.1021/ct200914j	journal	February 2012
Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size Feng, Guang; Cummings, Peter T. The Journal of Physical Chemistry Letters, Vol. 2, Issue 22 https://doi.org/10.1021/jz201312e	journal	October 2011
Origins of phase contrast in the atomic force microscope in liquids Melcher, J.; Carrasco, C.; Xu, X. Proceedings of the National Academy of Sciences, Vol. 106, Issue 33 https://doi.org/10.1073/pnas.0902240106	journal	August 2009
Molecular Organization of Surfactants at Solid-Liquid Interfaces Manne, S.; Gaub, H. E. Science, Vol. 270, Issue 5241 https://doi.org/10.1126/science.270.5241.1480	journal	December 1995
Direct Visualization of Surfactant Hemimicelles by Force Microscopy of the Electrical Double Layer Manne, S.; Cleveland, J. P.; Gaub, H. E. Langmuir, Vol. 10, Issue 12 https://doi.org/10.1021/la00024a003	journal	December 1994
*In situ* studies of morphology, strain, and growth modes of a molecular organic thin film Fenter, P.; Schreiber, F.; Zhou, L. Physical Review B, Vol. 56, Issue 6 https://doi.org/10.1103/PhysRevB.56.3046	journal	August 1997
Structure and growth morphology of an archetypal system for organic epitaxy: PTCDA on Ag(111) Krause, B.; Dürr, A. C.; Ritley, K. Physical Review B, Vol. 66, Issue 23 https://doi.org/10.1103/PhysRevB.66.235404	journal	December 2002
Epitaxial interactions between molecular overlayers and ordered substrates Hillier, Andrew C.; Ward, Michael D. Physical Review B, Vol. 54, Issue 19 https://doi.org/10.1103/PhysRevB.54.14037	journal	November 1996
Atomic Force Microscopy in Viscous Ionic Liquids Labuda, Aleksander; Grütter, Peter Langmuir, Vol. 28, Issue 12 https://doi.org/10.1021/la300557u	journal	March 2012
The Electric Double Layer Has a Life of Its Own Merlet, Céline; Limmer, David T.; Salanne, Mathieu The Journal of Physical Chemistry C, Vol. 118, Issue 32 https://doi.org/10.1021/jp503224w	journal	June 2014

Similar Records

Structure and dynamics of electrical double layers in organic electrolytes

Journal Article · Fri Jan 01 00:00:00 EST 2010 · Physical Chemistry Chemical Physics · OSTI ID:1528714

Huang, Jingsong; Sumpter, Bobby G; Meunier, Vincent; +2 more

In situ AFM study of interlayer spacing during anion intercalation into HOPG in aqueous electrolyte

Journal Article · Tue Nov 23 00:00:00 EST 1999 · Langmuir · OSTI ID:1528714

Alliata, D; Koetz, R; Haas, O; +1 more

Conformation, packing, defects, and molecular dynamics in monolayers of dialkyl-substituted benzenes

Journal Article · · Journal of Vacuum Science and Technology. B, Microelectronics Processing and Phenomena; (United States) · OSTI ID:1528714

Buchholz, S; Rabe, J P

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE

Title: Hysteretic order-disorder transitions of ionic liquid double layer structure on graphite

Citation Formats

References (58)

Similar Records

Related Subjects