@article{li_abdelgaid_paudel_holzapfel_augustyn_mckone_mpourmpakis_crumlin_2025, title={Operando Unveiling of Hydrogen Spillover Mechanisms on Tungsten Oxide Surfaces}, ISSN={["1520-5126"]}, DOI={10.1021/jacs.4c13711}, abstractNote={Hydrogen spillover is an important process in catalytic hydrogenation reactions, facilitating H2 activation and modulating surface chemistry of reducible oxide catalysts. This study focuses on the operando unveiling of platinum-induced hydrogen spillover on monoclinic tungsten trioxide (γ-WO3), employing ambient pressure X-ray photoelectron spectroscopy, density functional theory calculations and microkinetic modeling to investigate the dynamic evolution of surface states at varied temperatures. At room temperature, hydrogen spillover results in the formation of W5+ and hydrogen intermediates (hydroxyl species and adsorbed water), facilitated by Pt metal clusters. With increasing temperature, water desorption, reverse hydrogen spillover and surface-to-bulk diffusion of hydrogen atoms compete with each other, leading initially to reoxidation and then further reduction of W atoms in the near-surface. The combined experimental results and simulations provide a comprehensive understanding of the mechanisms underlying hydrogen interaction with reducible metal oxides, lending insights of relevance to the design of enhanced hydrogenation catalysts.}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Li, Haoyi and Abdelgaid, Mona and Paudel, Jay R. and Holzapfel, Noah P. and Augustyn, Veronica and Mckone, James R. and Mpourmpakis, Giannis and Crumlin, Ethan J.}, year={2025}, month={Jan} } @article{holzapfel_augustyn_2025, title={Protons undermine lithium-ion batteries with positively disastrous results}, volume={17}, ISSN={["1755-4349"]}, DOI={10.1038/s41557-025-01733-y}, number={2}, journal={NATURE CHEMISTRY}, author={Holzapfel, Noah P. and Augustyn, Veronica}, year={2025}, month={Feb}, pages={163–164} } @article{chagnot_abello_wang_dawlaty_rodriguez-lopez_zhang_augustyn_2024, title={Influence of Finite Diffusion on Cation Insertion-Coupled Electron Transfer Kinetics in Thin Film Electrodes}, volume={171}, ISSN={["1945-7111"]}, DOI={10.1149/1945-7111/ad1d98}, abstractNote={Materials that undergo ion-insertion coupled electron transfer are important for energy storage, energy conversion, and optoelectronics applications. Cyclic voltammetry is a powerful technique to understand electrochemical kinetics. However, the interpretation of the kinetic behavior of ion insertion electrodes with analytical solutions developed for ion blocking electrodes has led to confusion about their rate-limiting behavior. The purpose of this manuscript is to demonstrate that the cyclic voltammetry response of thin film electrode materials undergoing solid-solution ion insertion without significant Ohmic polarization can be explained by well-established models for finite diffusion. To do this, we utilize an experimental and simulation approach to understand the kinetics of Li+ insertion-coupled electron transfer into a thin film material (Nb2O5). We demonstrate general trends for the peak current vs scan rate behavior, with the latter parameter elevated to an exponent between limiting values of 1 and 0.5, depending on the solid-state diffusion characteristics of the film (diffusion coefficient, film thickness) and the experiment timescale (scan rate). We also show that values < 0.5 are possible depending on the cathodic potential limit. Our results will be useful to fundamentally understand and guide the selection and design of intercalation materials for multiple applications.}, number={1}, journal={JOURNAL OF THE ELECTROCHEMICAL SOCIETY}, author={Chagnot, Matthew and Abello, Sofia and Wang, Ruocun and Dawlaty, Jahan and Rodriguez-Lopez, Joaquin and Zhang, Chao and Augustyn, Veronica}, year={2024}, month={Jan} } @article{siddiqui_n'diaye_martin_baby_dawlaty_augustyn_rodriguez-lopez_2024, title={Monitoring SEIRAS on a Graphitic Electrode for Surface-Sensitive Electrochemistry: Real-Time Electrografting}, ISSN={["1520-6882"]}, DOI={10.1021/acs.analchem.3c04407}, abstractNote={The ubiquity of graphitic materials in electrochemistry makes it highly desirable to probe their interfacial behavior under electrochemical control. Probing the dynamics of molecules at the electrode/electrolyte interface is possible through spectroelectrochemical approaches involving surface-enhanced infrared absorption spectroscopy (SEIRAS). Usually, this technique can only be done on plasmonic metals such as gold or carbon nanoribbons, but a more convenient substrate for carbon electrochemical studies is needed. Here, we expanded the scope of SEIRAS by introducing a robust hybrid graphene-on-gold substrate, where we monitored electrografting processes occurring at the graphene/electrolyte interface. These electrodes consist of graphene deposited onto a roughened gold-sputtered internal reflection element (IRE) for attenuated total reflectance (ATR) SEIRAS. The capabilities of the graphene-gold IRE were demonstrated by successfully monitoring the electrografting of 4-amino-2,2,6,6-tetramethyl-1-piperidine N-oxyl (4-amino-TEMPO) and 4-nitrobenzene diazonium (4-NBD) in real time. These grafts were characterized using cyclic voltammetry and ATR-SEIRAS, clearly showing the 1520 and 1350 cm-1 NO2 stretches for 4-NBD and the 1240 cm-1 C-C, C-C-H, and N-Ȯ stretch for 4-amino-TEMPO. Successful grafts on graphene did not show the SEIRAS effect, while grafting on gold was not stable for TEMPO and had poorer resolution than on graphene-gold for 4-NBD, highlighting the uniqueness of our approach. The graphene-gold IRE is proficient at resolving the spectral responses of redox transformations, unambiguously demonstrating the real-time detection of surface processes on a graphitic electrode. This work provides ample future directions for real-time spectroelectrochemical investigations of carbon electrodes used for sensing, energy storage, electrocatalysis, and environmental applications.}, journal={ANALYTICAL CHEMISTRY}, author={Siddiqui, Abdur-Rahman and N'Diaye, Jeanne and Martin, Kristin and Baby, Aravind and Dawlaty, Jahan and Augustyn, Veronica and Rodriguez-Lopez, Joaquin}, year={2024}, month={Jan} } @article{saeed_fleischmann_kobayashi_jusys_mamontov_osti_holzapfel_song_wang_dai_et al._2024, title={Oxide Acidity Modulates Structural Transformations in Hydrogen Titanates during Electrochemical Li-Ion Insertion}, ISSN={["1520-5126"]}, DOI={10.1021/jacs.4c08063}, abstractNote={Hydrogen titanates (HTOs) form a diverse group of metastable, layered titanium oxides with an interlayer containing both water molecules and structural protons. We investigated how the chemistry of this interlayer environment influenced electrochemical Li}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Saeed, Saeed and Fleischmann, Simon and Kobayashi, Takeshi and Jusys, Zenonas and Mamontov, Eugene and Osti, Naresh C. and Holzapfel, Noah P. and Song, Haohong and Wang, Tao and Dai, Sheng and et al.}, year={2024}, month={Oct} } @article{spencer_holzapfel_you_mpourmpakis_augustyn_2024, title={Participation of electrochemically inserted protons in the hydrogen evolution reaction on tungsten oxides}, ISSN={["2041-6539"]}, DOI={10.1039/d4sc00102h}, abstractNote={Tungsten oxides undergo a significant increase in their hydrogen evolution reaction activity upon proton-insertion coupled electron transfer.}, journal={CHEMICAL SCIENCE}, author={Spencer, Michael A. and Holzapfel, Noah P. and You, Kyung-Eun and Mpourmpakis, Giannis and Augustyn, Veronica}, year={2024}, month={Mar} } @article{augustyn_cussen_kundu_osterloh_unterlass_2024, title={Promoting your work to the materials community: editor top tips for writing an effective research paper}, ISSN={["2050-7496"]}, DOI={10.1039/d4ta90097a}, abstractNote={Writing an effective research paper is a special form of art. Read what the editors of J. Mater. Chem. A have to say about the topic.}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Augustyn, Veronica and Cussen, Serena A. and Kundu, Subrata and Osterloh, Frank E. and Unterlass, Miriam M.}, year={2024}, month={Jul} } @article{ko_hamann_fortunato_augustyn_2024, title={Recent Advances in Electrolytes for Enabling Lithium-Ion Batteries across a Wide Temperature Range}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.3c06913}, abstractNote={A persistent challenge for lithium-ion batteries (LIBs) is operation under extreme environments, where temperatures can exceed −40 and 60 °C. At the same time, a growing number of high-impact applications require batteries that demonstrate longevity and high performance during low- and high-temperature operation, such as vehicle electrification, polar expeditions, and satellites/spacecraft. The discovery of novel electrolytes is therefore critical for developing next-generation energy storage solutions to widen operational capabilities beyond current technologies. Though trade-offs exist for targeting either low- or high-temperature performance, solutions that address both operational domains simultaneously are still sparse. In this Perspective, we highlight recent advancements in electrolyte formulations that enable a wide operating temperature window beyond −20 and 60 °C. Emerging research in fluorinated electrolytes, liquefied gas electrolytes, ionic liquids, and even aqueous chemistries offers a unique approach to overcoming this trade-off between low- and high-temperature operation of LIBs. The works highlighted in this Perspective present an exciting direction in the energy storage field that provides potential electrochemical solutions where engineering solutions may become exhausted.}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Ko, Jesse S. and Hamann, Tanner and Fortunato, Jenelle and Augustyn, Veronica}, year={2024}, month={Feb} } @article{holzapfel_chagnot_abdar_paudel_crumlin_mckone_augustyn_2024, title={Solution-Phase Synthesis of Platinum-Decorated Hydrogen Tungsten Bronzes for Hydrogen Atom Transfer from Oxides to Molecules}, ISSN={["1520-5002"]}, DOI={10.1021/acs.chemmater.4c02814}, abstractNote={Hydrogen bronzes can be used as hydrogen donors for the broad class of reactions involving proton-coupled electron transfer (PCET). Here, we describe a method to prepare platinum-decorated hydrogen tungsten bronzes, Pt@HxWO3·nH2O with n = 0, 1, and 2, by reacting the pristine oxides at modest temperatures with a mild reducing agent, H3PO2, and H2PtCl6 in an aqueous solution. We explored the tunability and kinetics of this reaction and compared it with that of archetypal gas–solid hydrogen spillover. We demonstrate that the identity of the noble metal affects the extent of bronze reduction. This suggests that the mechanism proceeds via the adsorption of a hydrogen-atom species on the noble metal. Finally, we explored the ability of the Pt-decorated hydrogen tungsten bronzes to hydrogenate a model H+/e– acceptor, 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO). The bronze phases return to their fully oxidized states along with the subsequent reduction of TEMPO to TEMPOH. Overall, this work demonstrates a solution-phase method to obtain hydrogen bronzes, which can then be used to perform hydrogen transfer reactions, providing a pathway for the use of extended transition metal oxides as stoichiometric reagents for broad classes of hydrogenation reactions.}, journal={CHEMISTRY OF MATERIALS}, author={Holzapfel, Noah P. and Chagnot, Matthew and Abdar, Payman Sharifi and Paudel, Jay R. and Crumlin, Ethan J. and Mckone, James R. and Augustyn, Veronica}, year={2024}, month={Nov} } @article{fortunato_shin_spencer_duin_augustyn_2023, title={Choice of Electrolyte Impacts the Selectivity of Proton-Coupled Electrochemical Reactions on Hydrogen Titanate}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.3c01057}, abstractNote={Proton-coupled electron transfer (PCET) reactions involving transition metal oxides are prevalent in aqueous electrochemical systems used for energy storage and conversion. Here, we elucidate the role of electrolyte on PCET mechanisms in transition metal oxides in aqueous acidic electrolytes using layered hydrogen titanate (H2Ti3O7) as an example. We identify three processes by which electrolyte protons interact with hydrogen titanate at the electrochemical interface: (1) adsorption at the surface and/or insertion into the bulk, (2) adsorption as part of the hydrogen evolution reaction (HER) at the surface, and (3) dissolution of the hydrogen titanate. We utilize a combined experimental and computational (ReaxFF) approach to probe how the competition for protons and electrons among these processes influences electrochemical properties, including the energy storage, Coulombic efficiency (CE), rate capability, and lifetime. In an acidic buffered electrolyte (1 M H3PO4), the CE increases from an average of 48% to 71% and the specific capacity increases from 83 to 90 mAh g–1 as compared to a strong acid electrolyte (1 M H2SO4). We propose that H3PO4 mitigates the HER and hydrogen titanate dissolution, thereby increasing the operating potential window for proton adsorption/insertion for charge storage in hydrogen titanate. Material characterization and computational results indicate that adsorption of phosphate species onto the surface of hydrogen titanate may decrease its dissolution upon reduction, thereby improving electrode performance. We offer a preliminary solution to improve energy storage performance via electrolyte tuning by decreasing the prevalence of the HER and electrode dissolution.}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Fortunato, Jenelle and Shin, Yun Kyung and Spencer, Michael A. A. and Duin, Adri C. T. and Augustyn, Veronica}, year={2023}, month={Jun} } @article{fortunato_zydlewski_lei_holzapfel_chagnot_mitchell_lu_jiang_milliron_augustyn_2023, title={Dual-Band Electrochromism in Hydrous Tungsten Oxide}, ISSN={["2330-4022"]}, DOI={10.1021/acsphotonics.3c00921}, abstractNote={The independent modulation of visible and near-infrared light by a single material, termed dual-band electrochromism, is highly desirable for smart windows to enhance the energy efficiency of buildings. Tungsten oxides are commercially important electrochromic materials, exhibiting reversible visible and near-infrared absorption when electrochemically reduced in an electrolyte containing small cations or protons. The presence of structural water in tungsten oxides has been associated with faster electrochromic switching speeds. Here, we find that WO3·H2O, a crystalline hydrate, exhibits dual-band electrochromism unlike the anhydrous WO3. This provides a heretofore unexplored route to tune the electrochromic response of tungsten oxides. Absorption of near-infrared light is achieved at low Li+/e– injection, followed by the absorption of visible light at higher Li+/e– injection as a result of an electrochemically induced phase transition. We propose that the dual-band modulation is possible due to the more open structure of WO3·H2O as compared to WO3. This facilitates a more extended solid-solution Li+ insertion regime that benefits the modulation of near-infrared radiation via plasmon absorption. Higher degrees of Li+/e– insertion lead to polaronic absorption associated with localized charge storage. These results inform how structural factors influence the electrochemically induced spectral response of transition-metal oxides and the important role of structural water beyond optical switching speed.}, journal={ACS PHOTONICS}, author={Fortunato, Jenelle and Zydlewski, Benjamin Z. and Lei, Ming and Holzapfel, Noah P. and Chagnot, Matthew and Mitchell, James B. and Lu, Hsin-Che and Jiang, De-en and Milliron, Delia J. and Augustyn, Veronica}, year={2023}, month={Sep} } @article{tsai_pillai_ganeshan_saeed_gao_duin_augustyn_balke_2023, title={Effect of Electrode/Electrolyte Coupling on Birnessite (delta-MnO2) Mechanical Response and Degradation}, volume={15}, ISSN={["1944-8252"]}, url={https://doi.org/10.1021/acsami.3c02055}, DOI={10.1021/acsami.3c02055}, abstractNote={Understanding the deformation of energy storage electrodes at a local scale and its correlation to electrochemical performance is crucial for designing effective electrode architectures. In this work, the effect of electrolyte cation and electrode morphology on birnessite (δ-MnO2) deformation during charge storage in aqueous electrolytes was investigated using a mechanical cyclic voltammetry approach via operando atomic force microscopy (AFM) and molecular dynamics (MD) simulation. In both K2SO4 and Li2SO4 electrolytes, the δ-MnO2 host electrode underwent expansion during cation intercalation, but with different potential dependencies. When intercalating Li+, the δ-MnO2 electrode presents a nonlinear correlation between electrode deformation and electrode height, which is morphologically dependent. These results suggest that the stronger cation-birnessite interaction is the reason for higher local stress heterogeneity when cycling in Li2SO4 electrolyte, which might be the origin of the pronounced electrode degradation in this electrolyte.}, number={21}, journal={ACS APPLIED MATERIALS & INTERFACES}, author={Tsai, Wan-Yu and Pillai, Shelby B. B. and Ganeshan, Karthik and Saeed, Saeed and Gao, Yawei and Duin, Adri C. T. and Augustyn, Veronica and Balke, Nina}, year={2023}, month={May}, pages={26120–26127} } @article{hossain_romo_putnam_dawlaty_augustyn_rodriguez-lopez_2023, title={Electrode-Potential-Driven Dissociation of N-Heterocycle/BF3 Adducts: A Possible Manifestation of the Electro-Inductive Effect}, ISSN={["1521-3773"]}, DOI={10.1002/anie.202304218}, abstractNote={AbstractRecently, non‐Faradaic effects were used to modify the electronic structure and reactivity of electrode‐bound species. We hypothesize that these electrostatic perturbations could influence the chemical reactivity of electrolyte species near an electrode in the absence of Faradaic electron transfer. A prime example of non‐Faradaic effects is acid‐base dissociation near an interface. Here, we probed the near‐electrode dissociation of N‐heterocycle‐BF3 Lewis adducts upon electrode polarization, well outside of the redox potential window of the adducts. Using scanning electrochemical microscopy and confocal fluorescence spectroscopy, we detected a potential‐dependent depletion of the adduct near the electrode. We propose an electro‐inductive effect where a more positive potential leads to electron withdrawal on the N‐heterocycle. This study takes a step forward in the use of electrostatics at electrochemical interfaces for field‐driven electrocatalytic and electro‐synthetic processes.}, journal={ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, author={Hossain, Md. Sazzad and Romo, Adolfo I. B. and Putnam, Seth T. and Dawlaty, Jahan and Augustyn, Veronica and Rodriguez-Lopez, Joaquin}, year={2023}, month={May} } @misc{mitchell_chagnot_augustyn_2023, title={Hydrous Transition Metal Oxides for Electrochemical Energy and Environmental Applications}, volume={53}, ISSN={["1545-4118"]}, DOI={10.1146/annurev-matsci-080819-1249550}, journal={ANNUAL REVIEW OF MATERIALS RESEARCH}, author={Mitchell, James B. and Chagnot, Matthew and Augustyn, Veronica}, year={2023}, pages={1–23} } @article{gittins_chen_arnold_augustyn_balducci_brousse_frackowiak_gomez-romero_kanwade_koeps_et al._2023, title={Interlaboratory study assessing the analysis of supercapacitor electrochemistry data}, volume={585}, ISSN={["1873-2755"]}, DOI={10.1016/j.jpowsour.2023.233637}, abstractNote={Supercapacitors are fast-charging energy storage devices of great importance for developing robust and climate-friendly energy infrastructures for the future. Research in this field has seen rapid growth in recent years, therefore consistent reporting practices must be implemented to enable reliable comparison of device performance. Although several studies have highlighted the best practices for analysing and reporting data from such energy storage devices, there is yet to be an empirical study investigating whether researchers in the field are correctly implementing these recommendations, and which assesses the variation in reporting between different laboratories. Here we address this deficit by carrying out the first interlaboratory study of the analysis of supercapacitor electrochemistry data. We find that the use of incorrect formulae and researchers having different interpretations of key terminologies are major causes of variability in data reporting. Furthermore we highlight the more significant variation in reported results for electrochemical profiles showing non-ideal capacitive behaviour. From the insights gained through this study, we make additional recommendations to the community to help ensure consistent reporting of performance metrics moving forward.}, journal={JOURNAL OF POWER SOURCES}, author={Gittins, Jamie W. and Chen, Yuan and Arnold, Stefanie and Augustyn, Veronica and Balducci, Andrea and Brousse, Thierry and Frackowiak, Elzbieta and Gomez-Romero, Pedro and Kanwade, Archana and Koeps, Lukas and et al.}, year={2023}, month={Nov} } @article{elmanzalawy_innocenti_zarrabeitia_peter_passerini_augustyn_fleischmann_2023, title={Mechanistic understanding of microstructure formation during synthesis of metal oxide/carbon nanocomposites}, ISSN={["2050-7496"]}, DOI={10.1039/d3ta01230a}, abstractNote={ In situ analysis of physicochemical processes occurring during pyrolysis synthesis of a TMO/C nanocomposite, including microstructure analysis via (S)TEM. Characterization of materials as electrodes for lithium intercalation and conversion reactions.}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Elmanzalawy, Mennatalla and Innocenti, Alessandro and Zarrabeitia, Maider and Peter, Nicolas J. and Passerini, Stefano and Augustyn, Veronica and Fleischmann, Simon}, year={2023}, month={Jun} } @article{fleischmann_zhang_wang_cummings_wu_simon_gogotsi_presser_augustyn_2022, title={Continuous transition from double-layer to Faradaic charge storage in confined electrolytes}, ISSN={["2058-7546"]}, DOI={10.1038/s41560-022-00993-z}, journal={NATURE ENERGY}, author={Fleischmann, Simon and Zhang, Yuan and Wang, Xuepeng and Cummings, Peter T. and Wu, Jianzhong and Simon, Patrice and Gogotsi, Yury and Presser, Volker and Augustyn, Veronica}, year={2022}, month={Mar} } @article{mitchell_wang_ko_long_augustyn_2022, title={Critical Role of Structural Water for Enhanced Li+ Insertion Kinetics in Crystalline Tungsten Oxides}, volume={169}, ISSN={["1945-7111"]}, DOI={10.1149/1945-7111/ac58c8}, abstractNote={Electrochemical ion insertion into transition metal oxides forms the foundation of several energy technologies. Transition metal oxides can exhibit sluggish ion transport and/or phase-transformation kinetics during ion insertion that can limit their performance at high rates (<10 min). In this study, we investigate the role of structural water in transition metal oxides during Li+ insertion using staircase potentiostatic electrochemical impedance spectroscopy (SPEIS) and electrochemical quartz crystal microbalance (EQCM) analysis of WO3·H2O and WO3 thin-film electrodes. Overall, the presence of structural water in WO3·H2O improves Li+ insertion kinetics compared to WO3 and leads to a less potential-dependent insertion process. Operando electrogravimetry and 3D Bode impedance analyses of nanostructured films reveal that the presence of structural water promotes charge accommodation without significant co-insertion of solvent, leading to our hypothesis that the electrochemically induced structural transitions of WO3 hinder the electrode response at faster timescales (<10 min). Designing layered materials with confined fluids that exhibit less structural transitions may lead to more versatile ion-insertion hosts for next-generation electrochemical technologies.}, number={3}, journal={JOURNAL OF THE ELECTROCHEMICAL SOCIETY}, author={Mitchell, James B. and Wang, Ruocun and Ko, Jesse S. and Long, Jeffrey W. and Augustyn, Veronica}, year={2022}, month={Mar} } @article{spencer_fortunato_augustyn_2022, title={Electrochemical proton insertion modulates the hydrogen evolution reaction on tungsten oxides}, volume={156}, ISSN={["1089-7690"]}, DOI={10.1063/5.0082459}, abstractNote={The development of new electrocatalysts for the hydrogen evolution reaction (HER) could reduce the dependence on Pt and other rare metals and enable large-scale production of hydrogen with near-zero carbon emissions. Mechanistic insight into the electrocatalytic activity of a material helps to accelerate the development of new electrocatalysts. Alternative electrocatalyst materials such as transition metal oxides and sulfides can undergo insertion reactions that change their properties. Recent reports indicate that the presence of inserted ions can influence the electrocatalytic activity. Here, we utilized a materials chemistry approach to understand the role of proton insertion in the HER activity of the layered tungsten oxide hydrates (WO3·xH2O, x = 1, 2). We synthesized a series of tungsten oxide hydrates along with an octylamine-pillared tungsten oxide (OA–WO3). We used cyclic voltammetry to study the electrochemical reactivity of each material and performed ex situ x-ray diffraction and Raman spectroscopy to understand bulk and surface structural changes during electrochemical cycling. We show an inverse relationship between the degree of proton insertion and HER overpotential in tungsten oxides: the lack of proton insertion leads to a high overpotential for the HER. We discuss three hypotheses for how proton insertion leads to the HER activity in WO3·xH2O: (1) proton insertion changes the electronic band structure of WO3·xH2O, (2) the presence of bulk protons can influence ΔGH,ads at the surface sites, and (3) the inserted protons may participate in the HER mechanism on WO3·xH2O. Overall, this work shows the critical role of proton insertion in enabling the high HER activity in tungsten oxides.}, number={6}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Spencer, Michael A. and Fortunato, Jenelle and Augustyn, Veronica}, year={2022}, month={Feb} } @misc{fortunato_jordan_newton_walsh_augustyn_2022, title={Electrochemical reactivity of atomic and molecular species under solid-state confinement}, volume={34}, ISSN={["2451-9103"]}, DOI={10.1016/j.coelec.2022.101014}, abstractNote={The nanoconfinement of electrochemically-active guest species in host solid state electrode materials provides opportunities to tune mass transport between the bulk electrolyte and inner surface of the electrode, enhance electron-transfer rates, and/or improve the stability and dispersion of active material. This review summarizes recent experimental and theoretical electrochemical studies of three types of nanoconfined guest species: (1) ion adsorption of electrolyte ions, (2) confined redox-active molecules, and (3) electrocatalytic reactions of confined ions/solvents and catalytic particles. The examples discussed in this review illustrate how the confinement of guest species within enclosed spaces with nanoscale dimensions – such as pores, pockets, channels, and interlayers – can lead to improved electrochemical performance.}, journal={CURRENT OPINION IN ELECTROCHEMISTRY}, author={Fortunato, Jenelle and Jordan, Jack W. and Newton, Graham N. and Walsh, Darren A. and Augustyn, Veronica}, year={2022}, month={Aug} } @article{augustyn_hatzell_malika jeffries-el_lutkenhaus_stingelin_2022, title={Introduction to the special collection in memoriam of Susan A. Odom (16 November 1980-18 April 2021)}, ISSN={["2633-5409"]}, DOI={10.1039/d2ma90085h}, abstractNote={The materials chemistry and electrochemistry communities celebrate Susan’s scientific impact and collaborative spirit with this themed issue.}, journal={MATERIALS ADVANCES}, author={Augustyn, Veronica and Hatzell, Kelsey B. and Malika Jeffries-EL and Lutkenhaus, Jodie L. and Stingelin, Natalie}, year={2022}, month={Sep} } @article{kabra_birn_kamboj_augustyn_mukherjee_2022, title={Mesoscale Machine Learning Analytics for Electrode Property Estimation}, volume={126}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.2c04432}, abstractNote={The development of next-generation batteries with high areal and volumetric energy density requires the use of high active material mass loading electrodes. This typically reduces the power density, but the push for rapid charging has propelled innovation in microstructure design for improved transport and electrochemical conversion efficiency. This requires accurate effective electrode property estimation, such as tortuosity, electronic conductivity, and interfacial area. Obtaining this information solely from experiments and 3D mesoscale simulations is time-consuming while empirical relations are limited to simplified microstructure geometry. In this work, we propose an alternate route for rapid characterization of electrode microstructural effective properties using machine learning (ML). Using the Li-ion battery graphite anode electrode as an exemplar system, we generate a comprehensive data set of ∼17 000 electrode microstructures. These consist of various shapes, sizes, orientations, and chemical compositions, and characterize their effective properties using 3D mesoscale simulations. A low dimensional representation of each microstructure is achieved by calculating a set of comprehensive physical descriptors and eliminating redundant features. The mesoscale ML analytics based on porous electrode microstructural characteristics achieves prediction accuracy of more than 90% for effective property estimation.}, number={34}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Kabra, Venkatesh and Birn, Brennan and Kamboj, Ishita and Augustyn, Veronica and Mukherjee, Partha P.}, year={2022}, month={Sep}, pages={14413–14429} } @book{nanda_augustyn_2022, title={Transition Metal Oxides for Electrochemical Energy Storage}, ISBN={9783527344932 9783527817252}, url={http://dx.doi.org/10.1002/9783527817252}, DOI={10.1002/9783527817252}, publisher={Wiley}, year={2022}, month={Apr} } @article{saeed_fortunato_ganeshan_duin_augustyn_2021, title={Decoupling Proton and Cation Contributions to Capacitive Charge Storage in Birnessite in Aqueous Electrolytes}, volume={8}, ISSN={["2196-0216"]}, DOI={10.1002/celc.202100992}, abstractNote={AbstractNanostructured birnessite is of interest as an electrode material for aqueous high power electrochemical energy storage as well as desalination devices. In neutral pH aqueous electrolytes, birnessite exhibits a capacitive response attributed to the adsorption of cations and protons at the outer surface and within the hydrated interlayer. Here, we utilize the understanding of proton‐coupled electron transfer (PCET) in buffered electrolytes to decouple the role of protons and cations in the capacitive charge storage mechanism of birnessite at neutral pH. We find that without buffer, birnessite exhibits primarily potential‐independent (capacitive) behavior with excellent cycling stability. Upon the addition of buffer, the capacity initially increases and the cyclic voltammograms become more potential‐dependent, features attributed to the presence of PCET with the birnessite. However, long‐term cycling in the buffered electrolyte leads to significant capacity fade and dissolution, which is corroborated through ex situ characterization. ReaxFF atomistic scale simulations support the observations that proton adsorption leads to birnessite degradation and that capacitive charge storage in birnessite is primarily attributed to cation adsorption at the outer surface and within the interlayer.}, number={22}, journal={CHEMELECTROCHEM}, author={Saeed, Saeed and Fortunato, Jenelle and Ganeshan, Karthik and Duin, Adri C. T. and Augustyn, Veronica}, year={2021}, month={Nov}, pages={4371–4379} } @article{boyd_ganeshan_tsai_wu_saeed_jiang_balke_duin_augustyn_2021, title={Effects of interlayer confinement and hydration on capacitive charge storage in birnessite}, ISSN={["1476-4660"]}, url={https://doi.org/10.1038/s41563-021-01066-4}, DOI={10.1038/s41563-021-01066-4}, abstractNote={Nanostructured birnessite exhibits high specific capacitance and nearly ideal capacitive behaviour in aqueous electrolytes, rendering it an important electrode material for low-cost, high-power energy storage devices. The mechanism of electrochemical capacitance in birnessite has been described as both Faradaic (involving redox) and non-Faradaic (involving only electrostatic interactions). To clarify the capacitive mechanism, we characterized birnessite's response to applied potential using ex situ X-ray diffraction, electrochemical quartz crystal microbalance, in situ Raman spectroscopy and operando atomic force microscope dilatometry to provide a holistic understanding of its structural, gravimetric and mechanical responses. These observations are supported by atomic-scale simulations using density functional theory for the cation-intercalated structure of birnessite, ReaxFF reactive force field-based molecular dynamics and ReaxFF-based grand canonical Monte Carlo simulations on the dynamics at the birnessite-water-electrolyte interface. We show that capacitive charge storage in birnessite is governed by interlayer cation intercalation. We conclude that the intercalation appears capacitive due to the presence of nanoconfined interlayer structural water, which mediates the interaction between the intercalated cation and the birnessite host and leads to minimal structural changes.}, journal={NATURE MATERIALS}, author={Boyd, Shelby and Ganeshan, Karthik and Tsai, Wan-Yu and Wu, Tao and Saeed, Saeed and Jiang, De-en and Balke, Nina and Duin, Adri C. T. and Augustyn, Veronica}, year={2021}, month={Aug} } @article{spencer_yildiz_kamboj_bradford_augustyn_2021, title={Toward Deterministic 3D Energy Storage Electrode Architectures via Electrodeposition of Molybdenum Oxide onto CNT Foams}, volume={35}, ISSN={["1520-5029"]}, DOI={10.1021/acs.energyfuels.1c02352}, abstractNote={Three-dimensional (3D) deterministic design of electrodes could enable simultaneous high energy and power density for electrochemical energy storage devices. The goal of such electrode architectures is to provide adequate charge (electron and ion) transport pathways for high power, while maintaining high active material loading (>10 mg cm–2) for high areal and volumetric capacities. However, it remains a challenge to fabricate such electrodes with processes that are both scalable and reproducible. Toward this end, here, we demonstrate how the fabrication of such an electrode is made possible by combining tunable, free-standing, and aligned carbon nanotube (CNT) foams with aqueous electrodeposition of a model intercalation-type transition metal oxide, MoO3. Morphological characterization including X-ray microcomputed tomography indicates that the obtained composite is homogeneous. Electrodes with an active mass loading of up to 18 mg cm–2 reached near-theoretical Li-ion intercalation capacities within 1.7 h. The highest-mass loading electrodes also led to areal and volumetric capacities of 4.5 mA h cm–2 and 290 mA h cm–3, respectively, with 55% capacity retention for charge/discharge times of 10 min. Overall, this work demonstrates a scalable, deterministic 3D electrode design strategy using electrodeposition and free-standing, aligned CNT foams that lead to high areal and volumetric capacities and good rate performance due to well-distributed charge transport pathways.}, number={19}, journal={ENERGY & FUELS}, author={Spencer, Michael A. and Yildiz, Ozkan and Kamboj, Ishita and Bradford, Philip D. and Augustyn, Veronica}, year={2021}, month={Oct}, pages={16183–16193} } @article{saeed_boyd_tsai_wang_balke_augustyn_2021, title={Understanding electrochemical cation insertion into prussian blue from electrode deformation and mass changes}, volume={57}, ISSN={["1364-548X"]}, url={https://doi.org/10.1039/D1CC01681D}, DOI={10.1039/d1cc01681d}, abstractNote={Alkali ion insertion into Prussian blue from aqueous electrolytes is characterized with operando AFM and EQCM, showing coupling of current with deformation and mass change rates.}, number={55}, journal={CHEMICAL COMMUNICATIONS}, publisher={Royal Society of Chemistry (RSC)}, author={Saeed, Saeed and Boyd, Shelby and Tsai, Wan-Yu and Wang, Ruocun and Balke, Nina and Augustyn, Veronica}, year={2021}, month={Jul}, pages={6744–6747} } @article{wang_boyd_bonnesen_augustyn_2020, title={Effect of water in a non-aqueous electrolyte on electrochemical Mg2+ insertion into WO3}, volume={477}, ISSN={["1873-2755"]}, DOI={10.1016/j.jpowsour.2020.229015}, abstractNote={Magnesium batteries are promising candidates for beyond lithium-ion batteries, but face several challenges including the need for solid state materials capable of reversible Mg2+ insertion. Of fundamental interest is the need to understand and improve the Mg2+ insertion kinetics of oxide-based cathode materials in non-aqueous electrolytes. The addition of water in non-aqueous electrolytes has been shown to improve the kinetics of Mg2+ insertion, but the mechanism and the effect of water concentration are still under debate. We investigate the systematic addition of water into a non-aqueous Mg electrolyte and its effect on Mg2+ insertion into WO3. We find that the addition of water leads to improvement in the Mg2+ insertion kinetics up to 6[H2O] : [Mg]2+. We utilize electrochemistry coupled to ex situ characterization to systematically explore four potential mechanisms for the electrochemical behavior: water co-insertion, proton (co)insertion, beneficial interphase formation, and water-enhanced surface diffusion. Based on these studies, we find that while proton co-insertion likely occurs, the dominant inserting species is Mg2+, and propose that the kinetic improvement upon water addition is due to enhanced surface diffusion of ions.}, journal={JOURNAL OF POWER SOURCES}, author={Wang, Ruocun and Boyd, Shelby and Bonnesen, Peter V and Augustyn, Veronica}, year={2020}, month={Nov} } @article{fleischmann_spencer_augustyn_2020, title={Electrochemical Reactivity under Confinement Enabled by Molecularly Pillared 2D and Layered Materials}, volume={32}, ISSN={["1520-5002"]}, DOI={10.1021/acs.chemmater.0c00648}, abstractNote={This perspective presents an overview of how confinement can be used to tune electrochemical reactivity and the concept of using molecularly pillared 2D and layered materials to experimentally stud...}, number={8}, journal={CHEMISTRY OF MATERIALS}, author={Fleischmann, Simon and Spencer, Michael A. and Augustyn, Veronica}, year={2020}, month={Apr}, pages={3325–3334} } @article{wang_sun_brady_fleischmann_eldred_gao_wang_jiang_augustyn_2021, title={Fast Proton Insertion in Layered H2W2O7 via Selective Etching of an Aurivillius Phase}, volume={11}, ISSN={["1614-6840"]}, DOI={10.1002/aenm.202003335}, abstractNote={AbstractH2W2O7, a metastable material synthesized via selective etching of the Aurivillius‐related Bi2W2O9, is demonstrated as an electrode for high power proton‐based energy storage. Comprehensive structural characterization is performed to obtain a high‐fidelity crystal structure of H2W2O7 using an iterative approach that combines X‐ray diffraction, neutron pair distribution function, scanning transmission electron microscopy, Raman spectroscopy, and density functional theory modeling. Electrochemical characterization shows a capacity retention of ≈80% at 1000 mV s–1 (1.5‐s charge/discharge time) as compared to 1 mV s–1 (≈16‐min charge/discharge time) with cyclability for over 100 000 cycles. Energetics from density functional theory calculations indicate that proton storage occurs at the terminal oxygen sites within the hydrated interlayer. Last, optical micrographs collected during in situ Raman spectroscopy show reversible, multicolor electrochromism, with color changes from pale yellow to blue, purple, and last, orange as a function of proton content. These results highlight the use of selective etching of layered perovskites for the synthesis of metastable transition metal oxide materials and the use of H2W2O7 as an anode material for proton‐based energy storage or electrochromic applications.}, number={1}, journal={ADVANCED ENERGY MATERIALS}, author={Wang, Ruocun and Sun, Yangyunli and Brady, Alexander and Fleischmann, Simon and Eldred, Tim B. and Gao, Wenpei and Wang, Hsiu-Wen and Jiang, De-en and Augustyn, Veronica}, year={2021}, month={Jan} } @article{boyd_geise_toney_augustyn_2020, title={High Power Energy Storage via Electrochemically Expanded and Hydrated Manganese-Rich Oxides}, volume={8}, ISSN={["2296-2646"]}, DOI={10.3389/fchem.2020.00715}, abstractNote={Understanding the materials design features that lead to high power electrochemical energy storage is important for applications from electric vehicles to smart grids. Electrochemical capacitors offer a highly attractive solution for these applications, with energy and power densities between those of batteries and dielectric capacitors. To date, the most common approach to increase the capacitance of electrochemical capacitor materials is to increase their surface area by nanostructuring. However, nanostructured materials have several drawbacks including lower volumetric capacitance. In this work, we present a scalable “top-down” strategy for the synthesis of EC electrode materials by electrochemically expanding micron-scale high temperature-derived layered sodium manganese-rich oxides. We hypothesize that the electrochemical expansion induces two changes to the oxide that result in a promising electrochemical capacitor material: (1) interlayer hydration, which improves the interlayer diffusion kinetics and buffers intercalation-induced structural changes, and (2) particle expansion, which significantly improves electrode integrity and volumetric capacitance. When compared with a commercially available activated carbon for electrochemical capacitors, the expanded materials have higher volumetric capacitance at charge/discharge timescales of up to 40 s. This shows that expanded and hydrated manganese-rich oxide powders are viable candidates for electrochemical capacitor electrodes.}, journal={FRONTIERS IN CHEMISTRY}, author={Boyd, Shelby and Geise, Natalie R. and Toney, Michael F. and Augustyn, Veronica}, year={2020}, month={Aug} } @article{tsai_wang_boyd_augustyn_balke_2021, title={Probing local electrochemistry via mechanical cyclic voltammetry curves}, volume={81}, ISSN={["2211-3282"]}, DOI={10.1016/j.nanoen.2020.105592}, abstractNote={Understanding the mechanical response of an electrode during electrochemical cycling and its correlation to the device electrochemical performance is crucial to improving the performance of insertion-type energy storage devices, electrochemical actuators, water purification, ion separation and neuromorphic computing applications. In this work, we visualized the electro-chemo-mechanical coupling behaviors during charge storage of anhydrous and hydrated WO3 electrodes via in situ atomic force microscopy (AFM) and developed the concept of mechanical cyclic voltammetry (mCV) curves. The relationship between electrochemical current and strain was investigated with simplified models and the results revealed that the proton insertion/deinsertion process could be described through potential-dependent electro-chemo-mechanical coupling coefficients which might indicate changes in insertion processes during electrode cycling. The mCV mapping results highlight the local heterogeneity and show that the charging processes varied across the electrode. These local variations could be further correlated to local morphology, crystal orientations or chemical compositions with proper electrode designs.}, journal={NANO ENERGY}, author={Tsai, Wan-Yu and Wang, Ruocun and Boyd, Shelby and Augustyn, Veronica and Balke, Nina}, year={2021}, month={Mar} } @misc{fleischmann_mitchell_wang_zhan_jiang_presser_augustyn_2020, title={Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials}, volume={120}, ISSN={["1520-6890"]}, DOI={10.1021/acs.chemrev.0c00170}, abstractNote={There is an urgent global need for electrochemical energy storage that includes materials that can provide simultaneous high power and high energy density. One strategy to achieve this goal is with pseudocapacitive materials that take advantage of reversible surface or near-surface Faradaic reactions to store charge. This allows them to surpass the capacity limitations of electrical double-layer capacitors and the mass transfer limitations of batteries. The past decade has seen tremendous growth in the understanding of pseudocapacitance as well as materials that exhibit this phenomenon. The purpose of this Review is to examine the fundamental development of the concept of pseudocapacitance and how it came to prominence in electrochemical energy storage as well as to describe new classes of materials whose electrochemical energy storage behavior can be described as pseudocapacitive.}, number={14}, journal={CHEMICAL REVIEWS}, author={Fleischmann, Simon and Mitchell, James B. and Wang, Ruocun and Zhan, Cheng and Jiang, De-en and Presser, Volker and Augustyn, Veronica}, year={2020}, month={Jul}, pages={6738–6782} } @article{lynch_kelliher_anderson_japit_spencer_rizvi_sarac_augustyn_tracy_2021, title={Sulfidation and selenidation of nickel nanoparticles}, volume={3}, ISSN={["2637-9368"]}, url={https://doi.org/10.1002/cey2.83}, DOI={10.1002/cey2.83}, abstractNote={AbstractTransition metal chalcogenide nanoparticles (NPs) are of interest for energy applications, including batteries, supercapacitors, and electrocatalysis. Many methods have been established for synthesizing Ni NPs, and conversion chemistry to form Ni oxide and phosphides from template Ni NPs is well‐understood. Sulfidation and selenidation of Ni NPs have been much less explored, however. We report a method for the conversion of Ni template NPs into sulfide and selenide product NPs using elemental sulfur, 1‐hexadecanthiol, thiourea, trioctylphosphine sulfide, elemental selenium, and selenourea. While maintaining mole ratios of 2 mmol sulfur/selenium precursor: mmol Ni, products with phases of Ni3S2, Ni9S8, NiS, NiSO4·6H2O, Ni3S4, Ni3Se2, and NiSe have been obtained. The products have voids that form through the Kirkendall effect during interdiffusion. Trends relating the chemical properties of the precursors to the phases of the products have been identified. While some precursors contained phosphorus, there was no significant incorporation of phosphorus in any of the products. An increase of the NP size during sulfidation and selenidation is consistent with ripening. The application of Ni sulfide and selenide NPs as electrocatalysts for the hydrogen evolution reaction is also demonstrated.}, number={4}, journal={CARBON ENERGY}, publisher={Wiley}, author={Lynch, Brian B. and Kelliher, Andrew P. and Anderson, Bryan D. and Japit, Alexander and Spencer, Michael A. and Rizvi, Mehedi H. and Sarac, Mehmet F. and Augustyn, Veronica and Tracy, Joseph B.}, year={2021}, month={Aug}, pages={582–589} } @article{mitchell_geise_paterson_osti_sun_fleischmann_zhang_madsen_toney_jiang_et al._2019, title={Confined Interlayer Water Promotes Structural Stability for High-Rate Electrochemical Proton Intercalation in Tungsten Oxide Hydrates}, ISSN={2380-8195 2380-8195}, url={http://dx.doi.org/10.1021/acsenergylett.9b02040}, DOI={10.1021/acsenergylett.9b02040}, abstractNote={There is widespread interest in determining the structural features of redox-active electrochemical energy storage materials that enable simultaneous high power and high energy density. Here, we pr...}, journal={ACS Energy Letters}, publisher={American Chemical Society (ACS)}, author={Mitchell, James B. and Geise, Natalie R. and Paterson, Alisa R. and Osti, Naresh C. and Sun, Yangyunli and Fleischmann, Simon and Zhang, Rui and Madsen, Louis A. and Toney, Michael F. and Jiang, De-en and et al.}, year={2019}, month={Nov}, pages={2805–2812} } @misc{spencer_augustyn_2019, title={Free-standing transition metal oxide electrode architectures for electrochemical energy storage}, volume={54}, ISSN={["1573-4803"]}, DOI={10.1007/s10853-019-03823-y}, number={20}, journal={JOURNAL OF MATERIALS SCIENCE}, author={Spencer, Michael A. and Augustyn, Veronica}, year={2019}, month={Oct}, pages={13045–13069} } @article{fleischmann_sun_osti_wang_mamontov_jiang_augustyn_2020, title={Interlayer Separation in Hydrogen Titanates Enables Electrochemical Proton Intercalation}, volume={8}, ISSN={["2050-7496"]}, DOI={10.1039/c9ta11098d}, abstractNote={Interlayer structural protons in H2Ti3O7 are identified as the key structural feature to enable electrochemical proton intercalation beyond the near-surface because they effectively reduce interconnections of the titanate layers.}, number={1}, journal={Journal of Materials Chemistry A}, author={Fleischmann, S. and Sun, Y. and Osti, N.C. and Wang, R. and Mamontov, E. and Jiang, D.E. and Augustyn, V.}, year={2020}, pages={412–421} } @article{lebeau_dickey_augustyn_hesterberg_brown_2018, title={Acquisition of a microscope for in situ studies of hard and soft matter}, volume={24}, ISSN={1431-9276 1435-8115}, url={http://dx.doi.org/10.1017/S143192761801214X}, DOI={10.1017/S143192761801214X}, abstractNote={,}, number={S1}, journal={Microscopy and Microanalysis}, publisher={Cambridge University Press (CUP)}, author={LeBeau, James M. and Dickey, Elizabeth C. and Augustyn, Veronica and Hesterberg, Dean L. and Brown, Ashley C.}, year={2018}, month={Aug}, pages={2332–2333} } @article{boyd_dhall_lebeau_augustyn_2018, title={Charge storage mechanism and degradation of P2-type sodium transition metal oxides in aqueous electrolytes}, volume={6}, ISSN={["2050-7496"]}, DOI={10.1039/c8ta08367c}, abstractNote={P2-type sodium transition metal oxides undergo water-driven structural changes that strongly affect electrochemical charge storage in aqueous electrolytes.}, number={44}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Boyd, Shelby and Dhall, Rohan and LeBeau, James M. and Augustyn, Veronica}, year={2018}, month={Nov}, pages={22266–22276} } @article{wang_mitchell_gao_tsai_boyd_pharr_balke_augustyn_2018, title={Operando Atomic Force Microscopy Reveals Mechanics of Structural Water Driven Battery-to-Pseudocapacitor Transition}, volume={12}, ISSN={["1936-086X"]}, url={http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000436910200101&KeyUID=WOS:000436910200101}, DOI={10.1021/acsnano.8b02273}, abstractNote={The presence of structural water in tungsten oxides leads to a transition in the energy storage mechanism from battery-type intercalation (limited by solid state diffusion) to pseudocapacitance (limited by surface kinetics). Here, we demonstrate that these electrochemical mechanisms are linked to the mechanical response of the materials during intercalation of protons and present a pathway to utilize the mechanical coupling for local studies of electrochemistry. Operando atomic force microscopy dilatometry is used to measure the deformation of redox-active energy storage materials and to link the local nanoscale deformation to the electrochemical redox process. This technique reveals that the local mechanical deformation of the hydrated tungsten oxide is smaller and more gradual than the anhydrous oxide and occurs without hysteresis during the intercalation and deintercalation processes. The ability of layered materials with confined structural water to minimize mechanical deformation likely contributes to their fast energy storage kinetics.}, number={6}, journal={ACS NANO}, publisher={American Chemical Society (ACS)}, author={Wang, Ruocun and Mitchell, James B. and Gao, Qiang and Tsai, Wan-Yu and Boyd, Shelby and Pharr, Matt and Balke, Nina and Augustyn, Veronica}, year={2018}, month={Jun}, pages={6032–6039} } @article{augustyn_mcdowell_vojvodic_2018, title={Toward an Atomistic Understanding of Solid-State Electrochemical Interfaces for Energy Storage}, volume={2}, ISSN={["2542-4351"]}, DOI={10.1016/j.joule.2018.10.014}, abstractNote={Veronica Augustyn is an Assistant Professor of Materials Science & Engineering at North Carolina State University. She received her PhD from the University of California, Los Angeles (2013) and was a Postdoctoral Fellow at the University of Texas at Austin (2013–2015). Her research is focused on the synthesis and characterization of materials operating at electrochemical interfaces, and in particular the relationships between material composition, structure, and morphology and the resulting electrochemical mechanisms. Recently, she was the recipient of a 2017 NSF CAREER Award and is a Scialog Fellow in Advanced Energy Storage at the Research Corporation for Science Advancement. Matthew McDowell is an assistant professor in the G.W. Woodruff School of Mechanical Engineering and the School of Materials Science and Engineering at the Georgia Institute of Technology. He received his PhD from Stanford University (2013) and was a postdoctoral scholar at Caltech from 2013 until 2015. His research is focused on understanding structural and chemical transformations in materials and at interfaces within electrochemical and electrical devices through the use of in situ and operando techniques. He has received the NSF CAREER Award, the AFOSR YIP Award, and the NASA Early Career Faculty Award and is a Scialog Fellow in Advanced Energy Storage. Aleksandra Vojvodic is Skirkanich Assistant Professor of Innovation in Chemical & Biomolecular Engineering at University of Pennsylvania. She received her PhD from Chalmers University of Technology, was Postdoc at Technical University of Denmark and Stanford University, and was Staff Scientist at SLAC National Accelerator Laboratory. Her research focuses on computational-driven materials design including studies of surfaces and interfaces of materials for chemical transformations, energy conversion, and storage. She received the 2017 European Federation of Catalysis Societies Young Researcher Award and the MIT Technology Review 35 Award 2016. She is a CIFAR Bio-Inspired Solar Energy fellow and a Scialog Fellow in Advanced Energy Storage.}, number={11}, journal={JOULE}, author={Augustyn, Veronica and McDowell, Matthew T. and Vojvodic, Aleksandra}, year={2018}, month={Nov}, pages={2189–2193} } @misc{boyd_augustyn_2018, title={Transition metal oxides for aqueous sodium-ion electrochemical energy storage}, volume={5}, ISSN={["2052-1553"]}, DOI={10.1039/c8qi00148k}, abstractNote={This work illustrates the obstacles that must be overcome and the benefits offered by aqueous rechargeable Na+electrochemical energy storage.}, number={5}, journal={INORGANIC CHEMISTRY FRONTIERS}, author={Boyd, Shelby and Augustyn, Veronica}, year={2018}, month={May}, pages={999–1015} } @article{augustyn_gogotsi_2017, title={2D Materials with Nanoconfined Fluids for Electrochemical Energy Storage}, volume={1}, ISSN={["2542-4351"]}, DOI={10.1016/j.joule.2017.09.008}, abstractNote={