Stanford Advisors


All Publications


  • From Micro-environments to Macroscopic Effects: How the Alkaline Hydrogen Evolution Reaction Drives Cu Cathodic Corrosion ACS CATALYSIS Sarker, H., Goswami, A., Tang, M. T., Abild-Pedersen, F. 2025
  • Nitrate Reduction Modeling under Acidic Conditions with Late Transition Metals ACS CATALYSIS Tang, M. T., Halldin Stenlid, J., Guo, J., Corson, E., Tarpeh, W., Abild-Pedersen, F. 2025
  • Electrochemical formation of bis(fluorosulfonyl)imide-derived solid-electrolyte interphase at Li-metal potential. Nature chemistry Yu, W., Lin, K. Y., Boyle, D. T., Tang, M. T., Cui, Y., Chen, Y., Yu, Z., Xu, R., Lin, Y., Feng, G., Huang, Z., Michalek, L., Li, W., Harris, S. J., Jiang, J. C., Abild-Pedersen, F., Qin, J., Cui, Y., Bao, Z. 2024

    Abstract

    Lithium bis(fluorosulfonyl)imide-based liquid electrolytes are promising for realizing high coulombic efficiency and long cycle life in next-generation Li-metal batteries. However, the role of anions in the formation of the solid-electrolyte interphase remains unclear. Here we combine electrochemical analyses and X-ray photoelectron spectroscopy measurements, both with and without sample washing, together with computational simulations, to propose the reaction pathways of electrolyte decomposition and correlate the interphase component solubility with the efficacy of passivation. We discover that not all the products derived from interphase-forming reactions are incorporated into the resulting passivation layer, with a notable portion present in the liquid electrolyte. We also find that the high-performance electrolytes can afford a sufficiently passivating interphase with minimized electrolyte decomposition, by incorporating more anion-decomposition products. Overall, this work presents a systematic approach of coupling electrochemical and surface analyses to paint a comprehensive picture of solid-electrolyte interphase formation, while identifying the key attributes of high-performance electrolytes to guide future designs.

    View details for DOI 10.1038/s41557-024-01689-5

    View details for PubMedID 39622915

    View details for PubMedCentralID 6538711

  • Screening binary alloys for electrochemical CO2 reduction towards multi-carbon products JOURNAL OF MATERIALS CHEMISTRY A Li, J., Stenlid, J., Tang, M. T., Peng, H., Abild-Pedersen, F. 2022

    View details for DOI 10.1039/d2ta02749f

    View details for Web of Science ID 000827062500001

  • Insights into the Hydrogen Evolution Reaction on 2D Transition-Metal Dichalcogenides JOURNAL OF PHYSICAL CHEMISTRY C Wang, Z., Tang, M. T., Cao, A., Chan, K., Norskov, J. K. 2022; 126 (11): 5151-5158
  • Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction. Journal of the American Chemical Society Liu, M. J., Guo, J., Hoffman, A. S., Stenlid, J. H., Tang, M. T., Corson, E. R., Stone, K. H., Abild-Pedersen, F., Bare, S. R., Tarpeh, W. A. 2022

    Abstract

    The electrochemical nitrate reduction reaction (NO3RR) on titanium introduces significant surface reconstruction and forms titanium hydride (TiHx, 0 < x ≤ 2). With ex situ grazing-incidence X-ray diffraction (GIXRD) and X-ray absorption spectroscopy (XAS), we demonstrated near-surface TiH2 enrichment with increasing NO3RR applied potential and duration. This quantitative relationship facilitated electrochemical treatment of Ti to form TiH2/Ti electrodes for use in NO3RR, thereby decoupling hydride formation from NO3RR performance. A wide range of NO3RR activity and selectivity on TiH2/Ti electrodes between -0.4 and -1.0 VRHE was observed and analyzed with density functional theory (DFT) calculations on TiH2(111). This work underscores the importance of relating NO3RR performance with near-surface electrode structure to advance catalyst design and operation.

    View details for DOI 10.1021/jacs.2c01274

    View details for PubMedID 35315649

  • Trends in oxygenate/hydrocarbon selectivity for electrochemical CO(2) reduction to C2 products. Nature communications Peng, H., Tang, M. T., Halldin Stenlid, J., Liu, X., Abild-Pedersen, F. 2022; 13 (1): 1399

    Abstract

    The electrochemical conversion of carbon di-/monoxide into commodity chemicals paves a way towards a sustainable society but it also presents one of the great challenges in catalysis. Herein, we present the trends in selectivity towards specific dicarbon oxygenate/hydrocarbon products from carbon monoxide reduction on transition metal catalysts, with special focus on copper. We unveil the distinctive role of electrolyte pH in tuning the dicarbon oxygenate/hydrocarbon selectivity. The understanding is based on density functional theory calculated energetics and microkinetic modeling. We identify the critical reaction steps determining selectivity and relate their transition state energies to two simple descriptors, the carbon and hydroxide binding strengths. The atomistic insight gained enables us to rationalize a number of experimental observations and provides avenues towards the design of selective electrocatalysts for liquid fuel production from carbon di-/monoxide.

    View details for DOI 10.1038/s41467-022-29140-8

    View details for PubMedID 35302055

  • Exploring Trends on Coupling Mechanisms toward C-3 Product Formation in CO(2)R JOURNAL OF PHYSICAL CHEMISTRY C Tang, M. T., Peng, H., Stenlid, J. H., Abild-Pedersen, F. 2021; 125 (48): 26437-26447
  • From electricity to fuels: Descriptors for C-1 selectivity in electrochemical CO2 reduction APPLIED CATALYSIS B-ENVIRONMENTAL Tang, M. T., Peng, H., Lamoureux, P., Bajdich, M., Abild-Pedersen, F. 2020; 279
  • Ultrastable molybdenum disulfide-based electrocatalyst for hydrogen evolution in acidic media JOURNAL OF POWER SOURCES Zhao, Y., Hwang, J., Tang, M. T., Chun, H., Wang, X., Zhao, H., Chan, K., Han, B., Gao, P., Li, H. 2020; 456
  • Rational design of stable sulfur vacancies in molybdenum disulfide for hydrogen evolution JOURNAL OF CATALYSIS Zhao, Y., Tang, M. T., Wu, S., Geng, J., Han, Z., Chan, K., Gao, P., Li, H. 2020; 382: 320–28
  • Self-Selective Catalyst Synthesis for CO2 Reduction JOULE Wang, H., Liang, Z., Tang, M., Chen, G., Li, Y., Chen, W., Lin, D., Zhang, Z., Zhou, G., Li, J., Lu, Z., Chan, K., Tan, T., Cui, Y. 2019; 3 (8): 1927–36
  • Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO ACS CATALYSIS Clark, E. L., Ringe, S., Tang, M., Walton, A., Hahn, C., Jaramillo, T. F., Chan, K., Bell, A. T. 2019; 9 (5): 4006–14
  • Enhancing Electrocatalytic Water Splitting by Strain Engineering ADVANCED MATERIALS You, B., Tang, M. T., Tsai, C., Abild-Pedersen, F., Zheng, X., Li, H. 2019; 31 (17)
  • Enhancing Electrocatalytic Water Splitting by Strain Engineering. Advanced materials (Deerfield Beach, Fla.) You, B., Tang, M. T., Tsai, C., Abild-Pedersen, F., Zheng, X., Li, H. 2019: e1807001

    Abstract

    Electrochemical water splitting driven by sustainable energy such as solar, wind, and tide is attracting ever-increasing attention for sustainable production of clean hydrogen fuel from water. Leveraging these advances requires efficient and earth-abundant electrocatalysts to accelerate the kinetically sluggish hydrogen and oxygen evolution reactions (HER and OER). A large number of advanced water-splitting electrocatalysts have been developed through recent understanding of the electrochemical nature and engineering approaches. Specifically, strain engineering offers a novel route to promote the electrocatalytic HER/OER performances for efficient water splitting. Herein, the recent theoretical and experimental progress on applying strain to enhance heterogeneous electrocatalysts for both HER and OER are reviewed and future opportunities are discussed. A brief introduction of the fundamentals of water-splitting reactions, and the rationalization for utilizing mechanical strain to tune an electrocatalyst is given, followed by a discussion of the recent advances on strain-promoted HER and OER, with special emphasis given to combined theoretical and experimental approaches for determining the optimal straining effect for water electrolysis, along with experimental approaches for creating and characterizing strain in nanocatalysts, particularly emerging 2D nanomaterials. Finally, a vision for a future sustainable hydrogen fuel community based on strain-promoted water electrolysis is proposed.

    View details for PubMedID 30773741

  • pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. Nature communications Liu, X., Schlexer, P., Xiao, J., Ji, Y., Wang, L., Sandberg, R. B., Tang, M., Brown, K. S., Peng, H., Ringe, S., Hahn, C., Jaramillo, T. F., Norskov, J. K., Chan, K. 2019; 10 (1): 32

    Abstract

    We present a microkinetic model for CO(2) reduction (CO(2)R) on Cu(211) towards C2 products, based on energetics estimated from an explicit solvent model. We show that the differences in both Tafel slopes and pH dependence for C1 vs C2 activity arise from differences in their multi-step mechanisms. We find the depletion in C2 products observed at high overpotential and high pH to arise from the 2nd order dependence of C-C coupling on CO coverage, which decreases due to competition from the C1 pathway. We further demonstrate that CO(2) reduction at a fixed pH yield similar activities, due to the facile kinetics for CO2 reduction to CO on Cu, which suggests C2 products to be favored for CO2R under alkaline conditions. The mechanistic insights of this work elucidate how reaction conditions can lead to significant enhancements in selectivity and activity towards higher value C2 products.

    View details for PubMedID 30604776

  • pH effects on the electrochemical reduction of CO(2) towards C-2 products on stepped copper NATURE COMMUNICATIONS Liu, X., Schlexer, P., Xiao, J., Ji, Y., Wang, L., Sandberg, R. B., Tang, M., Brown, K. S., Peng, H., Ringe, S., Hahn, C., Jaramillo, T. F., Norskov, J. K., Chan, K. 2019; 10
  • A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA). Nano letters Wu, Y. n., Ringe, S. n., Wu, C. L., Chen, W. n., Yang, A. n., Chen, H. n., Tang, M. n., Zhou, G. n., Hwang, H. Y., Chan, K. n., Cui, Y. n. 2019

    Abstract

    A variety of methods including tuning chemical compositions, structures, crystallinity, defects and strain, and electrochemical intercalation have been demonstrated to enhance the catalytic activity. However, none of these tuning methods provide direct dynamical control during catalytic reactions. Here we propose a new method to tune the activity of catalysts through solid-state ion gating manipulation and adjustment (SIGMA) using a catalysis transistor. SIGMA can electrostatically dope the surface of catalysts with a high electron concentration over 5 × 1013 cm-2 and thus modulate both the chemical potential of the reaction intermediates and their electrical conductivity. The hydrogen evolution reaction (HER) on both pristine and defective MoS2 were investigated as model reactions. Our theoretical and experimental results show that the overpotential at 10 mA/cm2 and Tafel slope can be in situ, continuously, dynamically, and reversibly tuned over 100 mV and around 100 mV/dec, respectively.

    View details for DOI 10.1021/acs.nanolett.9b02888

    View details for PubMedID 31499003

  • Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction ACS CATALYSIS Ulissi, Z. W., Tang, M. T., Xiao, J., Liu, X., Torelli, D. A., Karamad, M., Cummins, K., Hahn, C., Lewis, N. S., Jaramillo, T. F., Chan, K., Norskov, J. K. 2017; 7 (10): 6600–6608