Small Molecule Electrocatalysis and Solar Water Splitting

Presentations

• First-Principles Simulations of Water Dissociation on RuO₂(110)

  ORAL

  March 17, 2025, 3:00 PM – March 17, 2025, 3:12 PM

  Publication: Tracking Water Dissociation on RuO2(110) using Atomic Force Microscopy and First-Principles Simulations, Submitted to Journal of the American Chemical Society

  Presenters

  • Simon Gelin

    • Carnegie Mellon University

  Authors

  • Simon Gelin

    • Carnegie Mellon University

  • Austin J Reese

    • Cornell University

  • Maria Maalouf

    • California State University, Long Beach

  • Neha Wadehra

    • Cornell University

  • Lei Zhang

    • Dartmouth College

  • Geoffroy Hautier

    • Dartmouth College

  • Darrell G Schlom

    • Cornell University
    • Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM), Cornell University

  • Ismaila Dabo

    • Carnegie Mellon University

  • Jin Suntivich

    • Cornell University

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• Defect-induced instability of single-crystal IrO₂ electrocatalyst for water-splitting

  ORAL

  March 17, 2025, 3:12 PM – March 17, 2025, 3:24 PM

  Presenters

  • Lei Zhang

    • Dartmouth College

  Authors

  • Lei Zhang

    • Dartmouth College

  • Geoffroy Hautier

    • Dartmouth College

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• Towards understanding structural disorder in oxide electrocatalyts through first-principles calculations

  ORAL

  March 17, 2025, 3:24 PM – March 17, 2025, 3:36 PM

  Presenters

  • Wennie Wang

    • University of Texas at Austin

  Authors

  • Wennie Wang

    • University of Texas at Austin

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• Strain Relaxation and Bonding Asymmetry of Nanoparticle Electrocatalysts

  ORAL

  March 17, 2025, 3:36 PM – March 17, 2025, 3:48 PM

  Presenters

  • Zixiao Shi

    • Cornell University

  Authors

  • Zixiao Shi

    • Cornell University

  • Lang Xu

    • University of Wisconsin-Madison

  • Rui Zeng

    • Cornell Univerisity

  • Manos Mavrikakis

    • University of Wisconsin - Madison

  • Héctor D Abruña

    • Cornell University
    • Cornell Univeristy

  • David A Muller

    • Cornell University

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• SrIr_xCo_1-xO₃ as Efficient Electrocatalysts for Water Splitting Reactions to Produce Green Hydrogen

  ORAL

  March 17, 2025, 3:48 PM – March 17, 2025, 4:00 PM

  Publication: Science Advances, 7, eabk1788, 2021
  Science Advances, 7, eabc7323, 2021
  APL Energy, under review

  Presenters

  • Zhenxing Feng

    • Oregon State University

  Authors

  • Zhenxing Feng

    • Oregon State University

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• Optimizing Stucture of Porous Electrode Catalyst Layers

  ORAL

  March 17, 2025, 4:00 PM – March 17, 2025, 4:12 PM

  Publication: Colloidal Stability of PFSA-Ionomer Dispersions. Part I. Single-Ion Electrostatic Interaction Potential Energies. Harsh Srivastav, et. al. Langmuir 2024 40 (13), 6654-6665.
  
  Colloidal Stability of PFSA-Ionomer Dispersions Part II: Determination of Suspension pH Using Single-Ion Potential Energies. Harsh Srivastav, et. al. Langmuir 2024 40 (13), 6666-6674.

  Presenters

  • Harsh Srivastav

    • University of California, Berkeley

  Authors

  • Harsh Srivastav

    • University of California, Berkeley

  • Clayton J Radke

    • UC Berkeley

  • Adam Z Weber

    • Lawrence Berkeley National Laboratory

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• Breaking the scaling relation for the Tafel hydrogen evolution step by proximity induced magnetism

  ORAL

  March 17, 2025, 4:12 PM – March 17, 2025, 4:24 PM

  Publication: 1. UK Intellectual Property Office (UKIPO) application No. 2415085.6 (14/10/2024)
  2. "Spin-polarised electrocatalysis on non-ferromagnetic catalysts: chemo-spintronics" (in preparation)

  Presenters

  • Gilberto Teobaldi

    • Science and Technology Facilities Council UKRI

  Authors

  • Gilberto Teobaldi

    • Science and Technology Facilities Council UKRI

  • Hansaem Jang

    • University of Liverpool

  • Daniel Roe

    • University of Leeds

  • Oscar Cespedes

    • University of Leeds

  • Alexander J Cowan

    • University of Liverpool

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• Understanding the structural and electronic properties of disordered oxide interfaces in photoelectrodes for solar-to-fuel conversion

  ORAL

  March 17, 2025, 4:24 PM – March 17, 2025, 4:36 PM

  Presenters

  • Zifan Ye

    • University of Chicago

  Authors

  • Zifan Ye

    • University of Chicago

  • Kana Ishisone

    • University of Chicago

  • Dae Han Wi

    • University of Wisconsin─Madison

  • Zhaoyi Xi

    • Brookhaven National Laboratory

  • Mingzhao Liu

    • Brookhaven National Laboratory

  • Kyoung-Shin Choi

    • University of Wisconsin─Madison

  • Giulia Galli

    • University of Chicago

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• Tuning the interface between photoanodes and protective layers to optimize the performance of photoelectrochemical cells

  ORAL

  March 17, 2025, 4:36 PM – March 17, 2025, 4:48 PM

  Presenters

  • Kana Ishisone

    • University of Chicago

  Authors

  • Kana Ishisone

    • University of Chicago

  • Zifan Ye

    • University of Chicago

  • Dae Han Wi

    • University of Wisconsin─Madison

  • Zhaoyi Xi

    • Brookhaven National Laboratory

  • Mingzhao Liu

    • Brookhaven National Laboratory

  • Kyoung-Shin Choi

    • University of Wisconsin─Madison

  • Giulia Galli

    • University of Chicago

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• Oxygen Evolution Reaction with CaCd­₂P₂: A Case Study in Novel Ternary Zintl Phosphides for Solar Fuel Production

  ORAL

  March 17, 2025, 4:48 PM – March 17, 2025, 5:00 PM

  Publication: Oxygen Evolution Reaction with CaCd­2P2: A Case Study in Novel Ternary Zintl Phosphides for Solar Fuel Production

  Presenters

  • Guillermo Esparza

    • UCSD
    • University of California, San Diego
    • Univ of California, San Diego

  Authors

  • Guillermo Esparza

    • UCSD
    • University of California, San Diego
    • Univ of California, San Diego

  • Zhenkun Yuan

    • Dartmouth College

  • Muhammad R Hasan

    • Iowa State University

  • Gideon Kassa

    • Dartmouth College

  • Yagmur Coban

    • Dartmouth College

  • Andrew Pike

    • Dartmouth College

  • Jifeng Liu

    • Dartmouth College

  • Kirill Kovnir

    • Iowa State University

  • Geoffroy Hautier

    • Dartmouth College

  • David Fenning

    • University of California, San Diego

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• Semiconductor moiré materials for photocatalytic overall water splitting

  ORAL

  March 17, 2025, 5:00 PM – March 17, 2025, 5:12 PM

  Presenters

  • Qun Yang

    • Max Planck Institute for Chemical Physics of Solids
    • University of California, Los Angeles

  Authors

  • Qun Yang

    • Max Planck Institute for Chemical Physics of Solids
    • University of California, Los Angeles

  • Prineha Narang

    • University of California, Los Angeles

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• Oral: First-principles study on CdS/MoS₂heterostructures for water-splitting reactions

  ORAL

  March 17, 2025, 5:12 PM – March 17, 2025, 5:24 PM

  Presenters

  • Beniam Kumela

    • University of Texas at Austin

  Authors

  • Beniam Kumela

    • University of Texas at Austin

  • Roozbeh Anvari

    • University of Texas at Austin

  • Wennie Wang

    • University of Texas at Austin

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• First-principles Investigation of the Catalytic Cycle for Lehn’s Catalyst at Silicon Surfaces

  ORAL

  March 17, 2025, 5:24 PM – March 17, 2025, 5:36 PM

  Presenters

  • Thomas Carney

    • University of North Carolina at Chapel Hill

  Authors

  • Thomas Carney

    • University of North Carolina at Chapel Hill

  • John Lucas Bost

    • University of North Carolina at Chapel Hill

  • Jianhang Xu

    • University of North Carolina at Chapel Hill

  • Yosuke Kanai

    • University of North Carolina at Chapel Hill

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• Optimization of Ag electrocatalyst performance for CO₂ to CO conversion: Pairing Atomistic Simulations with Experiments

  ORAL

  March 17, 2025, 5:36 PM – March 17, 2025, 5:48 PM

  Publication: 1. Deng, X., Alfonso, D., Nguyen-Phan, T., and Kauffman, D.R., "Resolving the Size-Dependent Transition between CO2 Reduction Reaction and H2 Evolution Reaction Selectivity in Sub-5 nm Silver Nanoparticle Electrocatalysts." ACS Catalysis 12 (2022): 5921-5929.
  
  2. Deng, X., Alfonso, D., Nguyen-Phan, T., and Kauffman, D.R., " Breaking the Limit of Size Dependent CO2RR Selectivity in Silver Nanoparticle Electrocatalysts through Electronic Metal-Carbon Interactions," ACS Catalysis 13, 15301 (2023)

  Presenters

  • Dominic Alfonso

    • The National Energy Technology Laboratory (NETL)

  Authors

  • Dominic Alfonso

    • The National Energy Technology Laboratory (NETL)

  • Xingyi Deng

    • National Energy Technology Laboratory

  • Thuy Duong Nguyen-Phan

    • National Energy Technology Laboratory

  • Douglas Kauffman

    • National Energy Technology Laboratory

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• Highly efficient nitrogen-doped porous carbon supported single atom catalysts for CO₂ reduction

  ORAL

  March 17, 2025, 5:48 PM – March 17, 2025, 6:00 PM

  Presenters

  • Yejung Choi

    • Pohang Univ of Sci & Tech

  Authors

  • Yejung Choi

    • Pohang Univ of Sci & Tech

  • keon-woo kim

    • Pohang Univ of Sci & Tech

  • Jeong Woo Han

    • Seoul National University

  • JinKon Kim

    • Pohang Univ of Sci & Tech

  View abstract →