Publications

Displaying 51 - 100 of 627

Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis

Xianbao Fu, Valerie A. Niemann, Yuanyuan Zhou, Shaofeng Li, Ke Zhang, Jakob B. Pedersen, Mattia Saccoccio, Suzanne Z. Andersen, Kasper Enemark-Rasmussen, Peter Benedek, Aoni Xu, Niklas H. Diessler, Jon Bjarke Mygind, Adam C. Nielander, Jakob Kibsgaard, Peter C.K. Vesborg, Jens K. Norskov, Thomas F. Jaramillo, Ib Chorkendorff. Nature Materials. 2023.

Classification of Adsorbed Hydrocarbons Based on Bonding Configurations of the Adsorbates and Surface Site Stabilities

Shyama Charan Mandal, Frank Abild-Pedersen. ACS Catalysis. 2023.

Quantifying Influence of the Solid-Electrolyte Interphase in Ammonia Electrosynthesis

Eric J. McShane, Valerie Niemann, Peter Benedek, Xianbao Fu, Adam C. Nielander, Ib Chorkendorff, Thomas F. Jaramillo, Matteo Cargnello. ACS Energy Letters, 4024-4032. 2023.

Synergistic Effects of Mixing and Strain in High Entropy Spinel Oxides for Oxygen Evolution Reaction

Jihyun Baek , Md Delowar Hossain , Pinaki Mukherjee, Junghwa Lee , Kirsten Winther , Juyoung Leem , Yue Jiang , William Chueh , Michal Bajdich, Xiaolin Zheng. Nature Communications. 2023.

A Comparative Study of Electrical Double Layer Effects for CO Reduction Reaction Kinetics

Viswanath Pasumarthi, Henry Yu, Sneha A Akhade, Frank Abild-Pedersen, Joel B Varley, Michal Bajdich. Journal of Physical Chemistry C. 2023.

Development of a versatile electrochemical cell for in situ grazing-incidence X-ray diffraction during non-aqueous electrochemical nitrogen reduction

Sarah J. Blair, Adam C. Nielander, Kevin H. Stone, Melissa E. Kreider, Valerie A. Niemann, Peter Benedek, Eric J. McShane, Alessandro Gallo, Thomas F. Jaramillo. Journal of Synchrotron Radiation, 30. 2023.

Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal

Dong Jiang, Gang Wan , Joakim Halldin Stenlid, Carlos E García-Vargas, Jianghao Zhang, Chengjun Sun, Junrui Li, Frank Abild-Pedersen, Christopher J Tassone, Yong Wang. Nature Catalysis, 6, 618-627. 2023.

Combined, Time-Resolved, in Situ Neutron Reflectometry and X-Ray Diffraction Analysis of Dynamic SEI Formation during Electrochemical N2 Reduction

Sarah J. Blair, Mathieu Doucet, Valerie A. Niemann, Kevin Stone, Melissa Kreider, Jim Browning, Candice Halbert, Hanyu Wang, Peter Benedek, Eric McShane, Adam C. Nielander, Alessandro Gallo, Thomas F. Jaramillo. Energy and Environmental Science. 2023.

Tracking the Dynamics of a Ag-MnOx Oxygen Reduction Catalyst Using In Situ and Operando X-ray Absorption Near-Edge Spectroscopy

Johanna Schroeder, Jose A. Zamora Zeledon, Gaurav A. Kamat, Melissa E. Kreider, Lingze Wei, Aniket S. Mule, Armando Torres, Kyra Yap, Dimosthenis Sokaras, Alessandro Gallo, Michaela Burke Stevens , Thomas F. Jaramillo . ACS Energy Letters, 2962-2969. 2023.

A Framework for Understanding Efficient Diurnal CO2 Reduction Using Si and GaAs Photocathodes

Kyra M. K. Yap, Sang-Won Lee, Myles A. Steiner, Jaime E. Aviles Acosta, Dongkyun Kim, Dongwhan Kim, Emily L. Warren, Adam C. Nielander, Thomas F. Jaramillo. Chem Catalysis. 2023.

Assessing catalytic rates of bimetallic nanoparticles with active-site specificity: A case study using NO decomposition

Joakim Halldin Stenlid, Verena Streibel, Tej Salil Choksi, Frank Abild-Pedersen. Chem Catalysis, 3. 2023.

FEFOS: A method to derive oxide formation energies from oxidation states

Michael John Craig, Felix Kleuker, Michal Bajdich , Max Garcia-Melchor . Catalysis Science & Technology. 2023.

Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

Marco Reinhard, Alessandro Gallo, Meiyuan Guo, Angel T. Garcia-Esparza, Elisa Biasin, Muhammad Qureshi, Alexander Britz, Kathryn Ledbetter, Kristjan Kunnus, Clemens Weninger, Tim van Driel, Joseph Robinson, James M. Glownia, Kelly J.Gaffney, Thomas Kroll, Tsu-Chien Weng, Roberto Alonso-Mori, Dimosthenis Sokaras. Nature Communications, 14. 2023.

Co-Designing Electrocatalytic Systems with Separations To Improve the Sustainability of Reactive Nitrogen Management

Valerie Niemann, Peter Benedek, Jinyu Guo, Y. Xu, Sarah Blair, Elizabeth Corson, Adam Nielander, Thomas Jaramillo, William Tarpeh. ACS Catalysis, 13, 6268-6279. 2023.

Hydrogen production with seawater-resilient bipolar membrane electrolyzers

Daniela H. Marin, Joseph T. Perryman, McKenzie A. Hubert, Grace A. Lindquist, Lihaokun Chen, Ashton M. Aleman, Gaurav A. Kamat, Valerie A. Niemann, Michaela Burke Stevens, Yagya N. Regmi, Shannon W. Boettcher, Adam C. Nielander, Thomas F. Jaramillo. Joule, 7. 2023.

Toward Carbon Monoxide Methanation at Mild Conditions on Dual-Site Catalysts

Wanghui Zhao, Gaomou Xu, Zhaochun He, Cheng Cai, Frank Abild-Pedersen, Tao Wang. Journal of the American Chemical Society, 145, 8726-8733. 2023.

Insights into Active Sites and Mechanisms of Benzyl Alcohol Oxidation on Nickel–Iron Oxyhydroxide Electrodes

Lingze Wei, Md Delowar Hossain, Michael J Boyd, Jaime Aviles-Acosta , Melissa E Kreider, Adam C Nielander, Michaela Burke Stevens, Thomas F Jaramillo, Michal Bajdich, Christopher Hahn. ACS Catalysis

Reliable reporting of Faradaic efficiencies for electrocatalysis research

Paul Kempler, Adam C. Nielander. Nature Communications, 14. 2023.

X-ray free electron laser studies of electron and phonon dynamics of graphene adsorbed on copper

Hirohito Ogasawara, Han Wang, Jörgen Gladh, Alessandro Gallo, Ralph Page, Johannes Voss, Alan Luntz, Elias Diesen, Frank Abild-Pedersen, Anders Nilsson, Markus Soldemo, Marc Zajac, Andrew Attar, Michelle E. Chen, Sang Wan Cho, Abhishek Katoch, Ki-Jeong Kim, Kyung Hwan Kim, Minseok Kim, Soonnam Kwon, Sang Han Park, Henrique Ribeiro, Sami Sainio, Hsin-Yi Wang, Cheolhee Yang, Tony Heinz. Phys. Rev. Materials, 7, 24005. 2023.

Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks

Hemanth Somarajan Pillai, Yi Li, Shih-Han Wang, Noushin Omidvar, Qingmin Mu, Luke EK Achenie, Frank Abild-Pedersen, Juan Yang, Gang Wu, Hongliang Xin. Nature Communication, 14, 792. 2023.

Studying, Promoting, Exploiting, and Predicting Catalyst Dynamics: the Next Frontier in Heterogeneous Catalysis

Steven Chavez, Baraa Werghi, Kenzi M Sanroman Gutierrez, Ruitian Chen, Supriya Lall, Matteo Cargnello. Journal of Physical Chemistry C, 127, 2127-2146. 2023.

Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt-Based Oxygen Reduction and Evolution Catalysts

Melissa E. Kreider, Michaela Burke Stevens. ChemElectroChem. 2022.

Colloidally Engineered Pd and Pt Catalysts Distinguish Surface-and Vapor-Mediated Deactivation Mechanisms

Jinwon Oh, Arik Beck, Emmett D Goodman, Luke T Roling , Anthony Boucly, Luca Artiglia, Frank Abild-Pedersen, Jeroen A van Bokhoven, Matteo Cargnello. ACS Catalysis, 13, 1812-1822. 2023.

Atom-Specific Probing of Electron Dynamics in an Atomic Adsorbate by Time-Resolved X-Ray Spectroscopy

Simon Schreck, Elias Diesen, Martina Dell'Angela, Chang Liu, Matthew Weston, Flavio Capotondi, Hirohito Ogasawara, Jerry LaRue, Roberto Costantini, Martin Beye, Pieter S. Miedema, Joakim Halldin Stenlid, Jörgen Gladh, Boyang Liu, Hsin-Yi Wang, Fivos Perakis, Filippo Cavalca, Sergey Koroidov, Peter Amann, Emanuele Pedersoli, Denys Naumenko, Ivaylo Nikolov, Lorenzo Raimondi, Frank Abild-Pedersen, Tony F. Heinz, Johannes Voss, Alan C. Luntz, Anders Nilsson. Phys. Rev. Lett., 129, 276001. 2022.

Resolving Atomistic Structure and Oxygen Evolution Activity in Nickel Antimonates

Karun K. Rao, Lan Zhou , Yungchieh Lai , Matthias Richter , Xiang Li , Yubing Lu, Junko Yano , John Gregoire , Michal Bajdich. Journal of Materials Chemistry A , 11, 5166-5178. 2023.

Selectivity of Electrochemical Ion Insertion into Manganese Dioxide Polymorphs

Evan Z. Carlson, William C. Chueh, J. Tyler Mefford, Michal Bajdich. ACS Applied Materials & Interfaces , 15, 1513-1524. 2022.

Understanding the Stability of Manganese Chromium Antimonate Electrocatalysts through Multimodal In Situ and Operando Measurements

Melissa E. Kreider, Gaurav A. Kamat, Jose A. Zamora Zeledon, Lingze Wei, Dimosthenis Sokaras, Alessandro Gallo, Michaela Burke Stevens, Thomas Jaramillo. Journal of the American Chemical Society, 144, 22549-22561. 2022.

A Versatile Li0.5FePO4 Reference Electrode for Nonaqueous Electrochemical Conversion Technologies

Eric J. McShane, Peter Benedek, Valerie A. Niemann, Sarah J. Blair, Gaurav A. Kamat, Adam C. Nielander, Thomas F. Jaramillo, Matteo Cargnello. ACS Energy Letters, 8, 230-235. 2022.

Investigation of the Structure of Atomically Dispersed NiNx Sites in Ni and N-Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

David M. Koshy, Md Delowar Hossain, Ryo Masuda, Yoshitaka Yoda, Leland B. Gee, Kabir Abiose, Huaxin Gong, Ryan Davis, Makoto Seto, Alessandro Gallo, Christopher Hahn, Michal Bajdich, Zhenan Bao, Thomas F. Jaramillo. JACS. 2022.

Symmetry-resolved CO desorption and oxidation dynamics on O/Ru(0001) probed at the C K-edge by ultrafast X-ray spectroscopy

J. LaRue, B. Liu, G.L.S. Rodriguez, C. Liu, J. A. Garrido Torres, S. Schreck, E. Diesen, M. Weston, H. Ogasawara, F. Perakis, M. Dell'Angela, F. Capotondi, D. Ball, C. Carnahan, G. Zeri, L. Giannessi, E. Pedersoli, D. Naumenko, P. Amann, I. Nikolov, L. Raimondi, C. Spezzani, M. Beye, J. Voss, H.-Y. Wang, F. Cavalca, J. Gladh, S. Koroidov, F. Abild-Pedersen, M. Kolb, P. S. Miedema, R. Costantini, T. Heinz, A. Luntz, L.G.M. Pettersson, A. Nilsson. J. Chem. Phys.. 2022.

Strategies for Modulating the Catalytic Activity and Selectivity of Manganese Antimonates for the Oxygen Reduction Reaction

Melissa E. Kreider, G.T. Kasun Kalhara Gunasooriya, Yunzhi Liu, Jose A. Zamora Zeledon, Eduardo Valle, Chengshuang Zhou, Joseph H. Montoya, Alessandro Gallo, Robert Sinclair, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. ACS Catalysis, 12, 10826-10840. 2022.

Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis

Gaurav A. Kamat, Jose A. Zamora Zeledon, G. T. Kasun Kalhara Gunasooriya, Samuel M. Dull, Joseph T. Perryman, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. Communications Chemistry, 5. 2022.

Electronic structure factors and the importance of adsorbate effects in chemisorption on surface alloys

Shikha Saini, Joakim Halldin Stenlid, Frank Abild-Pedersen. npj Computational Materials, 8, 163. 2022.

New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research

Michaela Burke Stevens, Megha Anand, Melissa E. Kreider, Eliza K. Price, Jose A. Zamora Zeledon, Liang Wang, Jiayu Peng, Hao Li, John M. Gregoire, Jens Hummelshoj, Thomas F. Jaramillo, Hongei Jia, Jens K. Norskov, Yuriy Roman-Leshkov, Yang Shao-Horn, Brian D. Storey, Santosh K. Suram, Steven B. Torrisi, Joseph H. Montoya. Energy & Environmental Science, 15, 3775-3794. 2022.

Screening binary alloys for electrochemical CO 2 reduction towards multi-carbon products

Jiang Li , Joakim Halldin Stenlid , Michael T Tang, Hong-Jie Peng , Frank Abild-Pedersen. Journal of Materials Chemistry A, 10, 16171-16181. 2022.

Addressing solar photochemistry durability with an amorphous nickel antimonate photoanode

Lan Zhou, Elizabeth A. Peterson, Karun K. Rao, Yubing Lu, Xiang Li, Yungchieh Lai, Sage R. Bauers, Matthias H. Richter, KevinKan , Yu Wang , Paul F. Newhouse, Junko Yano, Jeffrey B. Neaton, Michal Bajdich, John M. Gregoire. Cell Reports Physical Science. 2022.

Methods—A Practical Approach to the Reversible Hydrogen Electrode Scale

Jose Zamora Zeledon, Ariel Jackson, Michaela Burke Stevens, Gaurav Kamat, Thomas Jaramillo, 169, 66505. 2022.

Efficient and Stable Acidic Water Oxidation Enabled by Low-Concentration, High-Valence Iridium Sites

Xinjian Shi, Hong-Jie Peng, Thomas J. P. Hersbach, Yue Jiang, Jihyun Baek, Kirsten T. Winther, Dimosthenis Sokaras, Xiaolin Zheng, Michal Bajdich. ACS Energy Letters. 2022.

Origins of Wear-Induced Tungsten Corrosion Defects in Semiconductor Manufacturing during Tungsten Chemical Mechanical Polishing

Seung-Hoon Choi, Melissa E. Kreider, Adam C. Nielander, Michaela Burke Stevens, Gaurav Kamat, Ja Eung Koo, Ki Ho Bae, Hoyoung Kim, Il Young Yoon, Bo Un Yoon, Kihyun Hwang, Dong Un Lee, Thomas F. Jaramillo. Applied Surface Science, 598, 153767. 2022.

Enhancing the connection between computation and experiments in electrocatalysis

Joaquin Resasco, Frank Abild-Pedersen, Christopher Hahn, Zhenan Bao, Marc Koper, Thomas F Jaramillo. Nature Catalysis, 5, 374-381. 2022.

Lithium-Mediated Electrochemical Nitrogen Reduction: Tracking Electrode–Electrolyte Interfaces via Time-Resolved Neutron Reflectometry

Sarah J. Blair, Mathieu Doucet, James F. Browning, Kevin Stone, Hanyu Wang, Candice Halbert, Jaime Aviles Acosta, Jose Zamora Zeledon, Adam C. Nielander, Alessandro Gallo, Thomas F. Jaramillo. ACS Energy Letters, 7, 1939-1946. 2022.

Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry

Kai Trepte, Johannes Voss. J. Comput. Chem.. 2022.

Unraveling Electronic Trends in O* and OH* Surface Adsorption in the MO2 Transition-Metal Oxide Series

Benjamin M. Comer, Jiang Li, Frank Abild-Pedersen, Michal Bajdich, and Kirsten T. Winther . Journal of Physical Chemistry C, 126, 7903-7909. 2022.

Local Structure of Sulfur Vacancies on the Basal Plane of Monolayer MoS2

Angel T. Garcia-Esparza, Sangwook Park, Hadi Abroshan, Oscar A. Paredes Mellone, John Vinson, Baxter Abraham, Taeho R. Kim, Dennis Nordlund, Alessandro Gallo, Roberto Alonso-Mori, Xiaolin Zheng, Dimosthenis Sokaras. ACS Nano. 2022.

Cation-Dependent Multielectron Kinetics of Metal Oxide Splitting

Jaclyn R. Lunger, Naomi Lutz, Jiayu Peng, Michal Bajdich, Yang Shao-Horn. Chemistry of Materials . 2022.

First-Row Transition Metal Antimonates for the Oxygen Reduction Reaction

G.T. Kasun Kalhara Gunasooriya, Melissa E. Kreider, Yunzhi Liu, Jose A. Zamora Zeledon, Zhenbin Wang, Eduardo Valle, An-Chih Yang, Alessandro Gallo, Robert Sinclair, Michaela Burke Stevens, Thomas F. Jaramillo, Jens K. Norskov. ACS Nano, 16, 6334-6348. 2022.

Hubbard-corrected oxide formation enthalpies without adjustable parameters

Johannes Voss. J. Phys. Commun.. 2022.

Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction

Matthew J Liu, Jinyu Guo, Adam S Hoffman, Joakim Halldin Stenlid, Michael T Tang, Elizabeth R Corso, Kevin H Stone, Frank Abild-Pedersen, Simon R Bare, William A Tarpeh. Journal of the American Chemical Society, 144, 5739-5744. 2022.

In Situ Studies of the Formation of MoP Catalysts and Their Structure under Reaction Conditions for Higher Alcohol Synthesis: The Role of Promoters and Mesoporous Supports

Eduardo Valle, Melis Duyar, Jonathan Snider, Samuel Regli, Magnus Ronning, Alessandro Gallo, Thomas Jaramillo. The Journal of Physical Chemistry C, 126, 5575-5583. 2022.

Trends in oxygenate/hydrocarbon selectivity for electrochemical CO (2) reduction to C2 products

Hong-Jie Peng, Michael T Tang, Joakim Halldin Stenlid, Xinyan Liu, Frank Abild-Pedersen. Nature Communication, 13, 1-11. 2022.

Center for Interface Science and Catalysis

Publications