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Publications List For The Fluid Interface Reactions, Structures and Transport (FIRST) Energy Frontier Research Center
* = Solely Supported by the FIRST Center
** = Not Solely Supported by the FIRST Center

  • *Achtyl, J.L.; Unocic, R.R.; Xu, L.; Yu, C.; Raju, M.; Zhang, W.; Sacci, R.L.; Vlassiouk, I.V.; Fulvio P.F.; Ganesh, P.; Wesolowski, D.J.; Dai, S.; van Duin, A.C.T.; Neurock, M.; Geiger, F.M. Aqueous Proton Transfer across Single Layer Graphene. Nat. Comm. 2015, 6, 6539, [10.1038/ncomms7539].

  • *Achtyl, J; Buchbinder, A. M.; Geiger, F. M. Hydrocarbon on Carbon Coherent Vibrational Spectroscopy of Toluene on Graphite (HOPG). J. Phys. Chem. Lett. 2012, 3, 280-282.

  • *Achtyl, J.; Vlassiouk, I.; Fulvio, P. F.; Mahurin, S. M.; Dai, S.; Geiger, F. Free Energy Relationships in The Electrical Double Layer Over Single Layer Graphene, J. Am. Chem. Soc. 2013, 135, 979-981, [10.1021/ja3120899].


  • * Achtyl, J.; Vlassiouk, I.; Surwade, S.; Fulvio, P.; Dai, S.; Geiger, F. Interaction of Magnesium Ions with Pristine Single Layer and Defected Graphene/Water Interfaces Studied by Second Harmonic Generation, J. Phys. Chem. B 2013, Accepted.

  • * Achtyl, J. L.; Vlassiouk, I. V.; Dai, S.; Geiger, F. Interactions of Organic Solvents at Graphene/α-Al2O3 and Graphene Oxide/α-Al2O3 Interfaces Studied by Sum Frequency Generation. J. Phys. Chem. C 2014, [10.1021/jp5047547].

  • * Adcock, J.; Fulvio, P. F.; Dai, S. Towards The Selective Modification of Soft-Templated Mesoporous Carbon Materials by Elemental Fluorine for Energy Storage Devices, J. Mater. Chem. A 2013, 1 (33), 9327-9331, [10.1039/C3TA10700K].

  • *Alhabeb, M.; Maleski, K.; Mathis, T.S.; Sarycheve, A.; Hatter, C.B.; Uzun, S.; Levitt, A.; Gogotsi, Y. Selective Etching of Silicon from Ti3SiC2 (MAX) to Obtain 2D Titanium Carbide (MXene). Angew. Chem. Int. Ed. 2018, 57, 5444-5448, [10.1002/anie.201802232].


  • **Alhabeb, M.; Maleski, K.; Anasori, B.; Lelyukh, P.; Clark, L.; Sin, S.; Gogotsi, Y. Guidelines for Synthesis and Processing of Two-Dimensional Titanium Carbide (Ti3C2Tx MXene). Chem. Mater. 2017, 118, 642-649, [10.1021/acs.chemmater.7b02847].


  • *Alhabeb, M.; Beidaghi, M.; Van Aken, K.L.; Dyatkin, B.; Gogotsi, Y. High-density Freestanding Graphene/Carbide-Derived Carbon Film Electrodes for Electrochemical Capacitors. Carbon 2017, 118, 642-649. [10.1016/j.carbon.2017.03.094].


  • *Anasori, B.; Lukatskaya, M.R.; Gogotsi, Y. 2D Metal Carbides and Nitrides (MXenes) for Energy Storage. Nature Reviews Materials 2017, 2, 16098, [10.1038/natrevmats.2016.98].


  • **Anasori, B.; Shi, C.; Moon, E.J.; Xie, Y.; Voigt, C.A.; Kent, P.R.C.; May, S.J.; Billinge, S.J.L.; Barsoum, M.W.; Gogotsi, Y. Control of Electronic Properties of 2D Carbides (MXenes) by Manipulating their Transition Metal Layers. Nanoscale Horizons 2016, [10.1039/C5NH00125K].62785


  • **Anasori, B.; Shi, C.; Moon, E.J.; Xie, Y.; Voigt, C.A.; Kent, P.R.C.; May, S.J.; Billinge, S.J.L.; Barsoum, M.W.; Gogotsi, Y. Control of Electronic Properties of 2D Carbides (MXenes) by Manipulating their Transition Metal Layers. Nanoscale Horizons 2016, [10.1039/C5NH00125K].


  • **Anasori, B.; Xie, Y.; Beidaghi, M.; Lu, J.; Hosler, B.C.; Hultman, L.; Kent, P.R.C.; Gogotis, Y.; Barsoum, M.W. Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes). ACS Nano 2015, [10.1021/acsnano.5b03591].

  • *Anjos, D. M.; Kolesnikov, A. I.; Wu, Z.; Cai, Y.; Neurock, M.; Brown, G.; Overbury, S. H. Inelastic Neutron Scattering, Raman and DFT Investigations of the Adsorption of Phenanthrenequinone on Onion-Like Carbon, Carbon 2012, 52, 150-157, [10.1016/j.carbon.2012.09.016].

  • * Anjos, D.M.; McDonough, J.K.; Perre, E.; Brown, G.M.; Overbury, S.H.; Gogotsi, Y.; Presser, V. Pseudocapacitance and Performance Stability of Quinone-Coated Carbon Onions, Nano Energy 2013, 2,702-712, [10.1016/j.nanoen.2013.08.003].

  • **Ariyanto, T.; Dyatkin, B.; Zhang G-R.; Kern, A.; Gogotsi, Y.; Etzold, B.J.M. Synthesis of Carbon Core-Shell Pore Structures and their Performance as Supercapacitors. Microporous Mesoporous Mater. 2015, 218, 130-136, [10.1016/j.micromeso.2015.07.007].


  • ** Arruda, T.; Heon, M.; Presser, V.; Hillesheim, P. C.; Dai, S.; Gogotsi, Y.; Kalinin, S. V.; Balke, N. In-Situ Tracking of the Nanoscale Expansion of Porous Carbon Electrodes, Energy Environ. Sci. 2013, 6, 225-231, [10.1039/c2ee23707e].

  • **Atifi, A.; Boyce, D.W.; DiMeglio, J.L.; Rosenthal, J. Directing the Outcome of CO2 Reduction at Bismuth Cathodes using Varied Ionic Liquid Promoters, ACS Catalysis 2018, accepted.

  • **Augustyn, V.; Gogotsi, Y. 2D Materials with Nanoconfined Fluids for Electrochemical Energy Storage. Joule 2017, [10.1016/j.joule.2017.09.008].

  • * Balke, N.; Jesse, S.; Kim, Y.; Adamczyk, L.; Ivanov, I.; Dudney, N. J.; Kalinin, S. V. Decoupling Electrochemical Reaction and Diffusion Processes in Ionically-Conductive Solids on the Nanometer Scale, ACS Nano 2010, 4, 7349-7357, [10.1021/nn101502x].

  • * Balke, N.; Jesse, S.; Kim, Y.; Adamczyk, L.; Tselev, A.; Ivanov, I.; Dudney, N. J.; Kalinin, S. V. Real Space Mapping of Li-Ion Transport in Amorphous Si Anodes with Nanometer Resolution, Nano Letters 2010, 10, 3420-3425, [10.1021/nl101439x ].

  • * Balke, N.; Jesse, S.; Morozovska, A.; Eliseev, E.; Chung, D.; Kim, Y.; Adamczyk, L.; Garcia, R. Nanoscale Mapping of Ion Diffusion in a Lithium-Ion Battery Cathode, Nature Nanotech. 2010, 5, 749-754, [10.1038/nnano.2010.174].

  • * Banuelos, J.L.; Feng, G.; Fulvio, P.F.; Li, S.; Rother, G.; Dai, S.; Cummings, P.T.; Wesolowski, D.J. Densification of Ionic Liquid Molecules within a Hierarchical Nanoporous Carbon Structure Revealed by Small Angle Scattering and Molecular Dynamics Simulation. Chem. Mater. 2014, 26, 1144-1153, [10.1021/cm4035159].

  • *Bañuelos, J.L.; Feng, G.; Fulvio, P.F.; Li, S.; Rother, G.; Arend, N.; Faraone, A.; Dai, S.; Cummings, P.T.; Wesolowski, D.J. The Influence of a Hierarchical Porous Carbon Network on the Coherent Dynamics of a Nanoconfined Room Temperature Ionic Liquid: A Neutron Spin Echo and Atomistic Simulation Investigation. Carbon 2014, [10.1016/j.carbon.2014.07.020].

  • ** Bedrov, D.; Smith, G.; van Duin, A.C.T. Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF, J. Phys. Chem. A 2012, 116, 2978-2985, [10.1021/jp210345b].

  • *Beidaghi, M., Van Aken, K and Gogotsi, Y. Formulation of Ionic-Liquid Electrolyte to Expand the Voltage Window of Supercapacitors. Electrochemistry


  • * Beidaghi, M.; Gogotsi, Y. Capacitive Energy Storage In Micro-Scale Devices: Recent Advances In Design And Fabrication Of Micro-Supercapacitors. Energy & Environmental Science 2014, 7, 867-884, [10.1039/C3EE43526A].

  • **Black, J. M.; Baris Okatan, M.; Feng, G.; Cummings, P. T.; Kalinin, S. V.; Balke, N. Topological Defects in Electric Double Layers of Ionic Liquids at Carbon Interfaces. Nano Energy 2015, 15, 737-745, [10.1016/j.nanoen.2015.05.037].

  • * Black, J.M.; Feng, G.; Fulvio, P.F.; Hillesheim, P.C.; Dai, S.; Gogotsi, Y.; Cummings, P.T.; Kalinin, S.V.; Balke, N. Strain-Based In Situ Study of Anion and Cation Insertion into Porous Carbon Electrodes with Different Pore Sizes, Adv. Energy Mater. 2013, [10.1002/aenm.201300683].

  • ** Black, J.; Walters, D.; Labuda, A.; Feng, G.; Hillesheim, P.; Dai, S.; Cummings, P.; Kalinin, S.; Proksch, R.; Balke, N. Bias-Dependent Molecular-Level Structure Of Electrical Double Layer In Ionic Liquid On Graphite, Nano Lett. 2013, 13, 5954-5960.

  • **Black, J.M.; Strelcov E.; Balke, N.; Kalinin, V. Electrochemistry at the Nanoscale: The Force Dimension. Interface 2014, 23, 53-59.

  • *Boota, M.; Pasini, M.; Galeotti, F.; Porzio, W.; Zhao, M-Q.; Halim, J.; Gogotsi, Y. Interaction of Polar and Non-Polar Polyfluorenes with Layers of 2D Titanium Carbide (MXene): Intercalation and Pseudocapacitance. Chem. Mater. 2017, [10.1021/acs.chemmater.6b03933].


  • *Boota, M.; Chen, C.; Bécuwe, M.; Miao, L.; Gogotsi, Y. Pseudocapacitance and Excellent Cyclability of 2,5-Dimethoxy-1,4-Benzoquinone on Graphene. Energy Environ. Sci. 2016, [10.1039/C6EE00793G]. 62733


  • **Boota, M.; Hatzell, K.B.; Alhabeb, M.; Kumbur, E.C.; Gogotsi, Y. Graphene-Containing Flowable Electrodes for Capacitive Energy Storage. Carbon 2015, 92, 142-149, [10.1016/j.carbon.2015.04.020].


  • **Boota, M.; Hatzell, K.B.; Kumbur, E.C.; Gogotsi, Y. Towards High-Energy-Density Pseudocapacitive Flowable Electrodes by the Incorporation of Hydroquinone. ChemSusChem 2015, 8, 835-843, [10.1002/cssc.201402985].


  • **Boota, M.; Paranthaman, M.P.; Naskar, A.K.; Li, Y.; Akato, K.; Gogotsi, Y.  Waste Tire Derived Carbon-Polymer Composite Paper as Pseudocapacitive Electrode with Long Cycle Life.  ChemSusChem 2015, [10.1002/cssc.201500866].

  • **Boota, M.; Hatzell, K.B.; Beidaghi, M.; Denison, C.R.; Kumbur, E.C.; Gogotsi, Y. Activated Carbon Spheres as a Flowable Electrode in Electrochemical Flow Capacitors. J. Electrochem. Soc. 2014, 161(6), A1078-A1083, [10.1149/2.072406jes].

  • **Borodin, O.; Olquin, M.; Ganesh, P.; Kent, P.R.C.; Allen, J.L.; Henderson, A.H. Competitive Lithium Solvation of Linear and Cyclic Carbonates from Quantum Chemistry. Phys. Chem. Chem. Phys. 2016, 18, 164-175. 58427


  • ** Braunchweig, B.; Hibbitts, D.; Neurock, M.; Wieckowski, A. Electrocatalysis: A Direct Alcohol Fuel Cell and Surface Science Perspective, Catalysis Today 2013, 202, 197-209, [10.1016/j.cattod.2012.08.013].

  • **Browning, K.L.; Baggetto, L.; Unocic, R.R.; Dudney, N.J.; Veith, G.M. Gas Evolution from Cathode Materials: A Pathway to Solvent Decomposition Concomitant to SEI Formation. J. Power Sources 2013, 239, 341-346, [10.1016/j.jpowsour.2013.03.118].

  • **Byeon, A.; Boota, M.; Beidaghi, M.; Van Aken, K.; Lee, J.W.; Gogotsi, Y. Effect of Hydrogenation on Performance of TiO2(B) Nanowire for Lithium Ion Capacitors. Electrochem. Commun. 2015, 60, 199-203, [10.1016/j.elecom.2015.09.004].

  • **Cai, Y.; Neurock, M. First Principles Analysis of Potential Dependent Proton Coupled Electron Transfer between Polypyridyl Ruthenium Complexes and Oxygen-Modified Graphene Electrodes. J. Phys. Chem. C 2014, 118, 12097-12105, [10.1021/jp5012507].


  • * Campos, J.; Beidaghi, M.; Hatzell, K. B.; Dennison, C. R.; Musci, B.; Presser, V.; Kumbur, E. C.; Gogotsi, Y. Investigation of Carbon Materials For Use As a Flowable Electrode in Electrochemical Flow Capacitors, Electrochim. Acta 2013, 98, 123-130, [10.1016/j.electacta.2013.03.037].

  • ** Carroll, K. J.; Yang, M.C.; Veith, G. M.; Dudney, N. J.; Meng, Y. S. Intrinsic Surface Stability in LiMɴ2-xNIX04- δ (x = 0.45, 0.5) High Voltage Spinel Materials for Lithium Ion Batteries, Electrochem. Solid-State Lett. 2012, 15, A72-A75, [10.1149/2.008206esl].

  • ** Cebik, J.; McDonough, J. K.; Peerally, F.; Medrano, R.; Neitzel, I.; Gogotsi, Y.; Osswald, S. Raman Spectroscopy Study of the Nanodiamond-To-Carbon Onion Transformation, Nanotechnology 2013, 24 (20), 205703, [10.1088/0957-4484/24/20/205703].

  • * Chathoth, S. M.; Mamontov, E.; Kolesnikov, A. I.; Gogotsi, Y.; Wesolowski, D. J. Quasielastic Neutron Scattering Study of Water Confined in Carbon Nanopores, Europhys. Lett. 2011, 96, 56001, [10.1209/0295-5075/95/56001].

  • * Chathoth, S. M.; Mamontov, E.; Dai, S.; Wang, X.; Fulvio, P. F.; Wesolowski, D. J. Fast Diffusion in Room-Temperature Ionic Liquid (confined) in Mesoporous Carbon, Europhys. Lett. 2012, 97, 66004, [10.1209/0295-5075/97/66004].

  • *Chathoth, S. M.; Anjos, D. M.; Mamontov, E.; Brown, G.; Overbury, S. H. Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering, J. Phys. Chem. B 2012, 116, 7291-7295, [10.1021/jp302155a].

  • *Chathoth, S. M.; Mamontov, E.; Fulvio, P. F.; Wang, X.; Baker, G. A.; Dai, S.; Wesolowski, D. J. An Unusual Slowdown of Fast Diffusion in a Room Temperature, Europhys. Lett. 2013, 102, 16004, [10.1209/0295-5075/102/16004].

  • *Chen, C.; Botta, M.; Urbankowski, P.; Anasori, B.; Miao, L.; Jiang, J.; Gogotsi, Y. Effect of Glycine Functionalization of 2D Titanium Carbide (MXene) on Charge Storage. . J. Mater. Chem 2018, [10.1039/C7TA11347A].

  • *Chen, C.; Boota, M.; Xie, X.; Zhao, M.; Anasori, B.; Ren, C.E.; Miao, L.; Jiang, J.; Gogotsi, Y. Charge Transfer Induced Polymerization of EDOT Confined between 2D Titanium Carbide Layers. ¬J. Mater. Gao, Q.; Come, J.; Naguib, M.; Jess, S.; Gogotsi, Y.; Balke, N. Synergetic Effects of K+ and Mg2+ Ion Intercalation on the Electrochemical and Actuation Properties of the Two-Dimensional Ti3C2 MXene. Faraday Discussions 2017, [10.1039/c6fd00251j].

  • *Chen, C.; Xie, X.; Anasori, B.; Sarycheva, A.; Makaryan, T.; Zhao, M.; Urbankowski, P.; Miao, L.; Jiang, J.; Gogotsi, Y. MoS2-on-MXene Heterostructures as Highly Reversible Anode Materials for Lithium-Ion Batteries. Angew. Chem. Int. Ed. 2018, 57, 1-7, [10.1002/anie.201710616].

  • *Chialvo, A.A.; Vlcek, L. Can we Describe Graphene Confined Water Structures as Interference of Approaching Interfacial Structures? J. Phys. Chem. C 2016, 120(14), 7553-7561, [10.1021/acs.jpcc.5b11886].60380


  • * Chialvo, A. A.; Cummings, P. T. Aqua Ions-Graphene Interfacial and Confinement Behavior: Insights from Isobaric-Isothermal Molecular Dynamics, J. Phys. Chem. A 2011, 115, 5918-5927, [10.1021/jp110318n].

  • * Chialvo, A.; Vlcek, L.; Cummings, P. Surface Corrugation Effects on the Water-Graphene Interfacial and Confinement Behavior. J. Phys. Chem. C 2013, 117(45), 23875-23886, [10.1021/jp408893b].

  • * Chialvo, A.A.; Vlcek, L.; Cummings, P.T. Surface Strain Effects on the Water-Graphene Interfacial and Confinement Behavior. J. Phys. Chem. C 2014, 118(34), 19701-19711, [10.1021/jp501776m].


  • * Chialvo, A.A.; Vlcek, L.; Cummings, P.T. Compounding Effects of Fluid Confinement and Surface Strain on the Wet-Dry Transition, Thermodynamic Response, and Dynamics of Water-Graphene Systems. Mol. Phys. 2014, [10.1080/00268976.2014.968228].

  • ** Chung, D.; Balke, N.; Kalinin, S. V.; Garcia, R. Virtual Electrochemical Strain Microscopy of Polycrystalline LiCO2 Film, J. Electrochem. Soc. 2011, 158, A1083- A1089, [10.1149/1.3619775].

  • *Come, J.; Xie, Y.; Naguib, M.; Jesse, S.; Kalinin, S.V.; Gogotsi, Y.; Kent, P.R.C.; Balke, N. Nanoscale Elastic Changes in 2D Ti3C2Tx (MXene) Pseudocapacitive Electrodes. Adv. Energy Mat. 2016, 1502290, [10.1002/aenm.201502290]. 60160


  • **Come, J.; Black, J.M.; Lukatskaya, M.R.; Naguib, M.; Beidaghi, M.; Rondinone, A.J.; Kalinin, S.V.; Wesolowski, D.J.; Gogotsi, Y.; Balke, N. Controlling the Actuation Properties of MXene Paper Electrodes upon Cation Intercalation. Nano Energy 2015, 17, 27-35, [10.1016/j.nanoen.2015.07.028].


  • *Come, J.; Xie, Y.; Naguib, M.; Jesse, S.; Kalinin, S.V.; Gogotsi, Y.; Kent, P.R.C.; Balke, N. Nanoscale Elastic Changes in 2D Ti3C2Tx (MXene) Pseudocapacitive Electrodes. Adv. Energy Mat. 2016, 1502290, [10.1002/aenm.201502290].


  • ** Costa, G.C.; McDonough, J.K.; Gogotsi, Y.; Navrotsky, A. Thermochemistry of Onion-Like Carbons. Carbon 2013, 72, 432, [10.1016/j.carbon.2013.12.053].
  • Diallo, S.O.; Vlcek, L.; Mamontov, E.; Keum, J.K.; Chen, J.; Hayes Jr., J.S.; Chialvo, A.A. Translational Diffusion of Water inside Hydrophobic Carbon Micropores Studied by Neutron Spectroscopy and Molecular Dynamics Simulation. Phys. Rev. E 2015, 91, 022124, [10.1103/PhysRevE.91.022124].
  • **Costa, G.C.; Shenderova, O.; Mochalin, V.; Gogotsi, Y.; Navrotsky, A. Thermochemistry of Nanodiamond Terminated by Oxygen Containing Functional Groups. Carbon 2014, Accepted

  • ** Dennison, C.R.; Beidaghi, M.; Hatzell, K.B.; Campos, J.W.; Gogotsi, Y.; Kumbur, E.C. Effects of Flow Cell Design on Charge Percolation and Storage in the Carbon Slurry Electrodes of Electrochemical Flow Capacitors, J. Power Sources, 2014, 247, 489-496, [10.1016/j.jpowsour.2013.08.101]

  • **Dennison, C.R.; Gogotsi, Y.; Kumbur, E.C. In situ Distributed Diagnostics of Flowable Electrode Systems: Resolving Spatial and Temporal Limitations. Phys. Chem. Chem. Phys. 2014, 16, 18241-18252, [10.1039/c4cp02820a].

  • ** Docherty, H.; Dyer, P.; Cummings, P. T. The Importance of Polarisability in the Modeling of Solubility: Quantifying the Effect of Charged Co-Solutes on the Solubility of Small Non-Polar Solutes, Mol. Simulate. 2011, 37, 299-309, [10.1080/08927022.2011.553225].

  • *Dyatkin, B.; Gogotsi, O.; Malinovskiy, B.; Zozulya, Y.; Simon, P.; Gogotsi, Y. High Capacitance of Coarse-Grained Carbide Derived Carbon Electrodes. J. Power Sources, 2016, 306, 32-41 [10.1016/j.jpowsour.2015.11.099]. 60323


  • *Dyatkin, B.; Zhang, Y.; Mamontov, E.; Kolesnikov, A.I.; Cheng, Y.; Meyer, H.M.; Cummings, P.T.; Gogotsi, Y. Influence of Surface Oxidation on Ion Dynamics and Capacitance in Porous and Non-Porous Carbon Electrodes. J. Phys. Chem. C 2016, [10.1021/acs.jpcc.6b01204]. 62102


  • ** Dyatkin, B.; Presser, V.; Heon, M.; Lukatskaya, M.; Beidaghi, M.; Gogotsi, Y. Development of a Green Supercapacitor Composed Entirely of Environmentally Friendly Materials, ChemSusChem. 2013, 6, 2269-2280, [10.1002/cssc.201300852].


  • **Dyatkin, B.; Ash, P.A.; Sharma, S. Highlights from Faraday Discussion 172: Carbon in Electrochemistry, Sheffield, UK, July 2014. ChemComm 2015, 51, 2199, [10.1039/c4cc90483d].


  • ** Fan, F; Yang, H.; van Duin, A.C.T.; Raju, M.; Zhang, S.; Zhu, T. Mechanical Properties of Amorphous LixSi Alloys: A Reactive Force Field Study, Modelling Simul. Mater. Sci. Eng. 2013, 21, 074002, [10.1088/0965-0393/21/7/074002].

  • **Fears, T.M.; Doucet, M.; Browning, J.F.; Baldwin, J.K.S.; Winiarz, J.G. Kaiser, H.; Taub, H.; Sacci, R.L.; Veith, G.M. Evaluating the Solid Electrolyte Interphase Formed on Silicon Electrodes: A Comparison of Ex situ X-Ray Photoelectron Spectroscopy and In situ Neutron Reflectometry. Phys. Chem. Chem. Phys. 2016, 18, 13927-13940, [10.1039/c6cp00978f].

  • **Feng, G.; Zhao, W.; Cummings, P.T.; Li, S. Molecular Simulation Study of Dynamical Properties of Room Temperature Ionic Liquids with Carbon Pieces. Science China Chemistry 2016, [10.1007/s11426-016-5580-5]. 62787


  • **Fears, T.M.; Doucet, M.; Browning, J.F.; Baldwin, J.K.S.; Winiarz, J.G. Kaiser, H.; Taub, H.; Sacci, R.L.; Veith, G.M. Evaluating the Solid Electrolyte Interphase Formed on Silicon Electrodes: A Comparison of Ex situ X-Ray Photoelectron Spectroscopy and In situ Neutron Reflectometry. Phys. Chem. Chem. Phys. 2016, 18, 13927-13940, [10.1039/c6cp00978f].


  • * Feng, G.; Cummings, P. T. Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size, J. Phys. Chem. Lett. 2011, 22, 2859-2864, [10.1021/jz201312e].

  • **Feng, G.; Li, S.; Zhao, W.; Cummings, P. T. Microstructure of Room Temperature Ionic Liquids at Stepped Graphite Electrodes. AIChE J. 2015,[ 10.1002/aic.14927].

  • **Feng, G.; Qiao, R.; Huang, J.; Dai, S.; Sumpter, B. G.; Meunier, V. The Importance of Ion Size and Electrode Curvature on Electrical Double Layers in Ionic Liquids. Phys. Chem. Chem. Phys. 2011, 13, 1152-1161, [10.1039/c0cp02077j].

  • * Feng, G.; Jiang, D.; Cummings, P. T. Curvature Effect on the Capacitance of Electrical Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces, J. Chem. Theory Comput. 2012, 8, 1058-1063, [10.1021/ct200914j].

  • * Feng, G.; Li, S.; Presser, V.; Cummings, Peter T. Molecular Insights into Carbon Supercapacitors Based on Room Temperature Ionic Liquids, J. Phys .Chem. Lett. 2013, 4 (19), 3367-3376, [10.1021/jz4014163].

  • * Feng, G.; Li, S.; Atchison, J. S.; Presser, V.; Cummings, P. T. Molecular Insights into Carbon Nanotube Supercapacitors: Capacitance Independent of Voltage and Temperature, J. Phys. Chem. C 2013, 117 (18), 9178–9186, [10.1021/jp403547k].

  • **Fenter, P.; Lee, S.S. Hydration Layer Structure at Solid-Water Interfaces. MRS Bulletin 2014, 39, 1056-1061, [10.1557/mrs.2014.252].

  • **Fulvio, P.F.; Mayes, R.T.; Bauer, J.C.; Wang, X.; Mahurin, S.M.; Veith, G.M.; Dai, S. “One-pot” Synthesis of Phosphorylated Mesoporous Carbon Heterogeneous Catalysts with Tailored Surface Acidity. Catalysis Today 2012, 186, 12-19, [10.1016/j.cattod.2011.08.004].

  • ** Fulvio, P. F.; Mayes, R.; Wang, X.Q.; Mahurin, S. M.; Bauer, J. C.; Presser, V.; McDonough, J.; Gogotsi, Y.; Dai, S. "Bricks and Mortar" Self-Assembly Approach to Graphitic Mesoporous Carbon Nanocomposites. Adv. Func. Mater. 2011, 21, 2208-2215, [10.1002/adfm.201002641].

  • ** Fulvio, P. F.; Brown, S. S.; Adcock, J.; Mayes, R. T.; Guo, B.; Sun, X. G.; Mahurin, S. M.; Veith, G. M.; Dai, S. Low-Temperature Fluorination of Soft-Templated Mesoporous Carbons for a High-Power Lithium/Carbon Fluoride Battery, Chem. Mater. 2011, 23, 4420-4427, [10.1021/cm2012395].

  • ** Fulvio, P. F.; Lee, J. S.; Mayes, R.; Wang, X.Q.; Mahurin, S., M.; Dai, S. Boron and Nitrogen-Rich Carbons From Ionic Liquid Precursors with Tailorable Surface Properties, Phys. Chem. Chem. Phys. 2011, 13, 13486-13491, [10.1039/C1CP20631A].

  • * Fulvio, P. F.; Hillesheim, P. C.; Bauer, J. C.; Mahurin, S. M.; Dai, S. Magadiite Templated High Surface Area Graphene-Type Carbons from Metal-Halide Based Ionic Liquids, J. Mater. Chem. A 2013, 1, 59-62, [10.1039/c2ta00634k].


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  • * Wang, D.; Liu, J.; Kvetny, M.; Li, Y.; Brown, W.; Wang, G.  Physical Origin of Dynamic Ion Transport Features through Single Conical Nanopores at Different Bias Frequencies. Chem. Sci. 2014, 5, 1827-1832, [10.1039/C3SC52187G].

  • ** Wang, X.Q.; Fulvio, P. F.; Baker, G. A.; Veith, G. M.; Unocic, R. R.; Mahurin, S. M.; Chi, M.; Dai, S. Direct Exfoliation of Natural Graphite into Micrometer Size Few Layers Graphene Sheets Using Ionic Liquids, Chem. Commun. 2010, 46, 4487-4489, [10.1039/c0cc00799d].

  • ** Wang, X.; Liu; C.-G.; Neff, D.; Fulvio, P.F.; Mayes, R.T.; Zhamu, A.; Fang, Q.; Chen, G.; Mayer, H.M.; Jang, B.Z.; and Dai, S. Nitrogen-Enriched Ordered Mesoporous Carbons Through Direct Pyrolysis in Ammonia with Enhanced Capacitative Performance, J. Mater. Chem. A 2013, 1, 7920-7926.

  • ** Wieckowski, A.; Neurock, M. Contrast and Synergy Between Electrocatalysis and Heterogeneous Catalysis, Adv. in Phys. Chem. 2011, 907129, [10.1155/2011/907129].

  • ** Wu, J.; Jiang, T.; Jiang, D.; Jin, Z.; Henderson, D. A Classical Density Functional Theory for Interfacial Layering of Ionic Liquids, Soft Matter 2011, 7, 11222-11231, [10.1039/c1sm06089a].

  • **Xia, Y.; Mathis, T.S.; Zhao, M.-Q.; Anasori, B.; Dang, A.; Zhou, Z.; Cho, H.; Gogotsi, Y.; Yang, S. Thickness-Independent Capacitance of Vertically Aligned Liquid-Crystalline MXenes. Nature 2018, 557, 409-412, [10.1038/s41586-018-0109-z].

  • **Xiao, X.; Yu, H.; Jin, H.; Wu, M.; Fang, Y.; Sun, J.; Hu, Z.; Li, T.; Wu, J.; Huang, L.; Gogotsi, Y.; Zhou, J. Salt-Templated Synthesis of 2D Metallic MoN and Other Nitrides. ACS Nano 2017, [10.1021/acsnano.6b08534].


  • * Xie, Y.; Kent, P.R.C. Hybrid Density Functional Study of Structural and Electronic Properties of Functionalized Tin+1Xn (X=C, N) Monolayers, Phys. Rev. B 2013, 87, 235441, [10.1103/PhysRevB.87.235441].

  • ** Xie, Y.; Naguib, M.; Mochalin, V.; Barsoum, M.; Gogotsi, Y.; Yu, X.; Nam, K-W.; Yang, X-Q.; Kolesnikov, A.; Kent P.  Role of Surface Structure on Li-ion Energy Storage Capacity of Two-dimensional Transition Metal Carbides. J. Am. Chem. Soc. 2014, [10.1021/ja501520b.

  • *Xie, Y.; Dall’Agnese, Y.; Naguib, M.; Gogotsi, Y.; Barsoum, M.W.; Zhuang, H.L.; Kent, P.R.C. Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries. ACS Nano, 2014, Accepted.


  • Yan, J.; Ren, C.E.; Maleski, K.; Hatter, C.B.; Anasori, B.; Urgankowski, P.; Sarycheva, A.; Gogotsi, Y. Flexible MXene/Graphene Films for Ultrafast Supercapacitors with Outstanding Volumetric Capacitance. Adv. Funct. Mater. 2017, 17012164, [10.1002/adfm.201701264].


  • ** Yang, H; Huang, Xu.; Liang, W.T.;van Duin, A. C. T.; Raju, M.; Zhang, S. Self- Weakening in Lithiated Graphene Electrodes, Chem. Phys. Lett. 2013, 563, 58-62, [10.1016/j.cplett.2013.01.048].

  • **Yoon, K.; Rahnamoun, A.; Swett, J.L.; Iberi, V.; Cullen, D.A.; Vlassiouk, I.V.; Belianinov, A.; Sang, X.; Ovchinnilova, O.S.; Rondinone, A.J.; Unocic, R.R.; van Duin, A.C.T. Atomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation. ACS Nano 2016, [10.1021/acsnano.6b03036].

  • *Yue, Y.; Zhang, Z.; Binder, A.J.; Chen, J.; Jin, X.; Overbury, S.H.; Dai S. Hierarchically Superstructured Prussian Blue Analogues: Spontaneous Assembly Synthesis and Applications as Pseudocapacitive Materials. ChemSusChem 2014, Accepted.

  • ** Zhai, Y.; Dou, Y.; Zhao, D.; Fulvio, P. F.; Mayes, R. T.; Dai, S. Carbon Materials for Chemical Capacitive Energy Storage, Adv. Mater. 2011, 23, 4828-4850, [10.1002/adma.201100984].


  • *Zhan, C.; Zhang, Y.; Cummings, P.T.; Jiang, D. Computational Insight into the Capacitive Performance of Graphene Edge Planes. Carbon 2017, 116, 278-285, [10.1016/j.carbon.2017.01.104].


  • *Zhan, C.; Lian, C.; Zhang, Y.; Thompson, M.W.; Xie, Y.; Wu, J.; Kent, P.R.C.; Cummings, P.T.; Jiang, D-E.; Wesolowski, D.J. Computational Insights into Materials and Interfaces for Capacitive Energy Storage. Adv. Sci. 2017, [10.1002/advs.201700059].


  • **Zhan, C.; Zhang, P.; Dai, S.; Jiang, D. Boron Supercapacitors. ACS Energy Lett. 2016, 1, 1241-1246, [10.1021/acsenergylett.6b00483].


  • *Zhan, C.; Jiang, D. Understanding the Pseudocapacitance of RuO2 from Joint Density Functional Theory. J. Phys: Condens. Matt. 2016, 28, 464004-464011, [10.1088/0953-8984/28/46/464004].


  • *Zhan, C.: Jiang, D-E. Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes. J. Phys. Chem. Lett. 2016, 7, 789-794, [10.1021/acs.jpclett.6b00047]. 61521


  • *Zhan, C.; Nagub, M.; Lukatskaya, M.; Kent, P.R.C.; Gogotsti, Y.; Jiang, D.-E. Understanding the MXene Pseudocapacitance.J. Phys. Chem. Lett. 2018, accepted.

  • *Zhan, C.; Neal, J.; Wu, J.; Jiang, D. Quantum Effects on the Capacitance of Graphene-Based Electrodes. J. Phys. Chem. C 2015, [10.1021/acs.jpcc.5b05930].


  • *Zhan, C.; Zhang, Y.; Cummings, P.T.; Jiang, D. Enhancing Graphene Capacitance by Nitrogen: Effects of Doping Configuration and Concentration. Phys. Chem. Chem. Phys. 2016, 18, 4668-4674, [10.1039/C5CP06952A]. 62743


  • **Zhang, Z.; Chi, M.; Veith, G.M.; Zhang, P.; Lutterman, D.A.; Rosenthal, J.; Overbury, S.H.; Dai, S.; Zhu, H. Rational Design of Bi Nanoparticles for Efficient Electrochemical CO2 Reduction: The Elucidation of Size and Surface Condition Effects. ACS Catalysis 2016, 6, 6255-6264, [10.1021/acscatal.6b01297].


  • **Zhang, L.; Wang, Z.; Mehio, N.; Jin, X.; Dai, S. Thickness- and Particle-Size-Dependent Electrochemical Reduction of Carbon Dioxide on Thin-Layer Porous Silver Electrodes. ChemSusChem 2016, 9, 428-432, [10.1002/cssc.201501637].


  • **Zhang, P.; Jiang, X.; Wan, S.; Dai, S. Charged Porous Polymers Using a Solid C-O Cross-Coupling Reaction. Chem. Eur. J. 2015, 21, 12866-12870, [10.1002/chem.201501814].


  • **Zhang, P.; Li, M.; Yang, B.; Fang, Y.; Jiang, X.; Veith, G.M.; Sun, X-G.; Dai, S. Polymerized Ionic Networks with High Charge Density: Quasi-Solid Electrolytes in Lithium-Metal Batteries. Adv. Mater. 2015, [10.1002/adma.201502855].


  • *Zhang, P.F.; Jiang, X.; Wan, S.; Dai, S. Advancing Polymers of Intrinsic Microporosity by Mechanochemistry. J. Mater. Chem. A 2015, 3, 6739-6741, [10.1039/C4TA07196D].


  • **Zhang, P.; Qiao, Z-A.; Dai, S. Recent Advances on Carbon Nanospheres: Synthetic Routes and Applications. Chem. Commum. 2015, [10.1039/C5CC01759A].


  • **Zhang, P.; Qiao, Z-A.; Jiang, X.; Veith, G.M.; Dai, S. Nanoporous Ionic Organic Networks: Stabilizing and Supporting Gold Nanoparticles for Catalysis. NanoLett 2015, [10.1021/nl504780].

  • **Zhang, P.; Li, H.; Veith, G.M.; Dai, S. Soluble Porous Coordination Polymers by Mechanochemistry: From Metal-Containing Films/Membranes to Active Catalysts for Aerobic Oxidation. Adv. Mater. 2014, [10.1002/adma.201403299].

  • **Zhang, B.; van Duin, A.C.T.; Johnson, J.K. Development of a ReaxFF Reactive Force Field for Tetrabutylphosphonium Glycinate/CO2 Mixtures. 2014, Accepted.

  • ** Zhang, Z.; Veith, G.; Brown, G.; Fulvio, P.; Hillesheim, P.; Dai, S.; Overbury, S. Ionic Liquid Derived Carbons as Highly Efficient Oxygen Reduction Catalysts: First Elucidation of Pore Size Distribution Dependent Kinetics, Chem. Commun. 2013, [10.1039/C3CC489942F].


  • **Zhang, C.; Hatzell, K.B.; Boota, M.; Dyatkin, B.; Beidaghi, M.; Long, D.; Qiao, W.; Kumbur, E.C.; Gotosi, Y. Highly Porous Carbon Spheres for Electrochemical Capacitors and Capacitive Flowable Suspension Electrodes. Carbon 2014, 77, 155-164, [10.1016/j.carbon.2014.05.017].

  • **Zhang, P.; Gong, Y.; Wei, Z.; Wang, J.; Zhang, Z.; Li, H.; S.; Dai, S.; Wang, Y. Updating Biomass into Functional Carbon Material in Lonothermal Manner. Appl. Mater. Interfaces 2014, [10.1021/am5023682].

  • **Zhang, P.; Qiao, Z-A.; Zhang, Z.; Wan, S.; Dai, S. Mesoporous Graphene-Like Carbon Sheet: High-Power Supercapacitor and Outstanding Catalyst Support. J. Mater. Chem. A 2014, 2, 12262.

  • **Zhang, B.; van Duin, A.C.T.; Johnson, J.K. Development of a ReaxFF Reactive Force Field for Tetrabutylphosphonium Glycinate/CO2 Mixtures. J. Phys. Chem. B 2014, [10.1021/jp5054277].
  • *Zhao, M-Q.; Ren, C.E.; Ling, Z.; Lukatskaya, M.R.; Zhang, C.; Van Aken, K.L.; Barsoum, M.W.; Gogotsi, Y. Flexible MXene/Carbon Nanotube Composite Paper with High Volumetric Capacitance. Adv. Mater. 2015, 5, 1401286, [10.1002/adma.201404140].


  • *Zhou, H.; Uysal, A.; Anjos, D.M.; Cai, Y.; Overbury, S.H.; Neurock, M.; McDonough, J.K.; Gogotsi, Y.; Fenter, P. Understanding Defect-Stabilized Noncovalent Functionalization of Graphene. Adv. Mater. Interfaces 2015, [10.1002/admi.201500277].


  • * Zhou, H.; Ganesh, P.; Presser, V.; Wander, M. C. F.; Fenter, P.; Kent, P.R.C.; Jiang, D.; Chialvo, A. A.; McDonough, J.; Shuford, K. L.; Gogotsi, Y. Understanding Controls On Interfacial Wetting At Epitaxial Graphene: Experiment and Theory, Phys. Rev. B 2012, 85, 035406, [10.1103/PhysRevB.85.035406].

  • * Zhou, H.; Rouha, M.; Feng, G.; Lee, S.; Docherty, H.; Fenter, P.; Cummings, P. T.; Fulvio, P. F.; Dai, S.; McDonough, J.; Presser, V.; Gogotsi, Y. Nano-Scale Perturbations of Room Temperature Ionic Liquid Structure at Charged and Uncharged Interfaces, ACS Nano 2012, 6 (11), 9818-9827, [10.1021/nn303355b].

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Congratulations to Yury! For receiving the 2021 ACS Award in the Chemistry of Materials! A tremendous honor and so well deserved.

Dr. Xuehang Wang, awarded a Cotswold Foundation Postdoctoral Fellowship

Yory Gogotsi, PhD. Listed in the Physics section of Citation Laureates

Yory Gogotsi, PhD. Listed in Highly Cited in Chemistry and Materials Science

Yury Gogotsi, PhD. Smart Textiles, Future of Fashion

Dai Selected Winner of 2020 Max Bredig Award

International Ceramics Prize 2020 for "Basic Science" of the World Academy of Ceramics. Prof. Yury Gogotsi

Congratulations Professor Veronica Augustyn - she received a DOE Early Career Award! For more details: https://science.osti.gov/early-career

Ruocun (John) Wang, Best Paper Award Winners May 2019 - 235th ECS Meeting


Sheng Dai - Newly Elected MRS Fellows

Veronica Augustyn has won a 2019 Alfred P. Sloan Foundation Fellowship in Chemistry


Sheng Dai and Michael Naguib are both on the list of Clarivate Highly Cited from ORNL: Clarivate Highly Cited Researchers