Publications

Displaying 251 - 300 of 629

Enhancing Electrocatalytic Water Splitting by Strain Engineering

Bo You , Michael T. Tang , Charlie Tsai, Frank Abild‐Pedersen, Xiaolin Zheng, Hong Li. Advanced Materials, 31, 1807001. 2019.

Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O2

Ji Hyun Baek, Thomas Mark Gill, Hadi Abroshan, Sangwook Park, Xinjian Shi, Jens K. Nørskov, Samira Siahrostami, Xiaolin Zhen. ACS Energy Letters, 4, 720-728. 2019.

Development of MoP catalysts for higher alcohol synthesis from syngas by exploiting support and promoter effects

Iris C. ten Have, Eduardo Valle, Alessandro Gallo, Jonathan L. Snider, Melis S. Duyar, Thomas F. Jaramillo. Energy Technology. 2019.

Identification of the active complex for CO oxidation over single-atom Ir-on-MgAl2O4 catalysts

Yubing Lu, Jiamin Wang, Liang Yu, Libor Kovarik, Xiwen Zhang, Adam S. Hoffman, Alessandro Gallo, Simon R. Bare, Dimosthenis Sokaras, Thomas Kroll, Vanessa Dagle, Hongliang Xin, Ayman M. Karim. Nature Catalysis, 2, 149-156. 2019.

Role of Co2C in ZnO-promoted Co Catalysts for Alcohol Synthesis from Syngas

Joseph A. Singh, Adam S. Hoffman, Julia Schumann, Alexey Boubnov, Arun S. Asundi, Sindhu S. Nathan, Jens Nørskov, Simon R. Bare, Stacey F. Bent. ChemCatChem, 11, 799-809. 2018.

Noble metal supported hexagonal boron nitride for the oxygen reduction reaction: a DFT study

Seoin Back, Samira Siahrostami. Nanoscale Advances, 1, 132-139. 2019.

Probing Atomic Distributions in Mono- and Bimetallic Nanoparticles by Supervised Machine Learning

Janis Timoshenko, Cody J. Wrasman, Mathilde Luneau, Tanya Shirman, Matteo Cargnello, Simon R. Bare, Joanna Aizenberg, Cynthia M. Friend, Anatoly I. Frenkel. Nano Letters, 19, 520-529. 2019.

pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper

Xinyan Liu, Philomena Schlexer, Jianping Xiao, Yongfei Ji, Lei Wang, Robert B. Sandberg, Michael Tang, Kristopher S. Brown, Hongjie Peng, Stefan Ringe, Christopher Hahn, Thomas F. Jaramillo, Jens K. Nørskov , Karen Chan. Nature Communications, 10. 2019.

CaSnO3: An Electrocatalyst for Two-Electron Water Oxidation Reaction to Form H2O2

So Yeon Park, Hadi Abroshan, Xinjian Shi, Hyun Suk Jung, Samira Siahrostami, Xiaolin Zheng. ACS Energy Letters, 4, 352-357. 2019.

Prediction of stable and active (oxy-hydro) oxide nanoislands on noble metal supports for electrochemical oxygen reduction reaction

Seoin Back, Martin H. Hansen, Jose A. Garrido Torres, Zhenghang Zhao, Jens K. Nørskov, Samira Siahrostami, Michal Bajdich. ACS Applied Materials & Interfaces. 2018.

Gas-Diffusion Electrodes for Carbon Dioxide Reduction: A New Paradigm

Drew Higgins, Christopher Hahn, Chengxiang Xiang, Thomas F. Jaramillo, Adam Z. Weber. ACS Energy Letters, 4, 317-324. 2019.

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

Colin F. Dickens, Joseph H Montoya, Ambarish R Kulkarni, Michal Bajdich, Jens K. Nørskov . Surface Science, 681, 122. 2019.

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single Atom Catalysts

Anjli M Patel, Stefan Ringe, Samira Siahrostami, Michal Bajdich, Jens K. Nørskov , Ambarish R Kulkarni. Journal of Physical Chemistry C, 122, 29307. 2018.

Guiding Electrochemical Carbon Dioxide Reduction Toward Carbonyls Using Copper Silver Thin Films with Interphase Miscibility

Drew Higgins, Alan T. Landers, Yongfei Ji, Stephanie Nitopi, Carlos G. Morales-Guio, Lei Wang, Karen Chan, Christopher Hahn, Thomas F. Jaramillo. ACS Energy Letters, 3, 2947-2955. 2018.

Combining Experiment and Theory to Unravel the Mechanism of Two-Electron Oxygen Reduction at a Selective and Active Co-Catalyst

Vanessa Bukas, Hyo Won Kim, Robert Sengpiel, Kristian Knudsen, Johannes Voss, Bryan McCloskey, Alan Luntz. ACS Catalysis. 2018.

Comparison of Sintering by Particle Migration and Ripening through First-Principles-Based Simulations

Elisabeth M. Dietze, Frank Abild-Pedersen, Philipp N. Plessow. The Journal of Physical Chemistry C, 122, 26563-26569. 2018.

In situ observation of phase changes of a silica-supported cobalt catalyst for the Fischer-Tropsch process by the development of a synchrotron-compatible in situ/operando powder X-ray diffraction cell

Adam S. Hoffman , Joseph A. Singh, Stacey F. Bent, Simon R. Bare. Journal of Synchrotron Radiation, 25, 1673-1682. 2018.

Improved CO2 reduction activity towards C2+ alcohols on a tandem gold on copper electrocatalyst

Carlos G. Morales-Guio, Etosha R. Cave, Stephanie A. Nitopi, Jeremy T. Feaster, Lei Wang, Kendra P. Kuhl, Ariel Jackson, Natalie C. Johnson, David N. Abram, Toru Hatsukade, Christopher Hahn, Thomas F. Jaramillo. Nature Catalysis, 1, 764-771. 2018.

Theoretical and Experimental Studies of CoGa Catalysts for the Hydrogenation of CO2 to Methanol

Joseph A. Singh, Ang Cao, Julia Schumann, Tao Wang, Jens K. Nørskov, Frank Abild-Pedersen, Stacey F. Bent. Catalysis Letters, 148, 3583-3591. 2018.

Strongly Modified Scaling of CO Hydrogenation in Metal Supported TiO Nanostripes

Robert Sandberg , Martin H. Hansen, Jens K. Nørskov , Frank Abild-Pedersen, Michal Bajdich. ACS Catalysis, 8, 10555. 2018.

Synthesis of Colloidal Pd/Au Dilute Alloy Nanocrystals and Their Potential for Selective Catalytic Oxidations

Cody J. Wrasman, Alexey Boubnov, Andrew R. Riscoe, Adam S. Hoffman, Simon R. Bare, Matteo Cargnello. Journal of American Chemical Society, 140, 12930-12939. 2018.

Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys

Ang Cao, Julia Schumann, Tao Wang, Linan Zhang, Jianping Xiao, Pallavi Bothra, Yuan Liu, Frank Abild-Pedersen, Jens K Nørskov. ACS Catalysis, 8, 10148-10155. 2018.

Tuning Methane Activation Chemistry on Alkaline Earth Metal Oxides by Doping

Hassan Aljama, Jens K Nørskov, Frank Abild-Pedersen. The Journal of Physical Chemistry C, 122, 22544-22548. 2018.

Discovery of a highly active molybdenum phosphide catalyst for methanol synthesis from CO and CO2

Melis S. Duyar, Charlie Tsai, Jonathan L. Snider, Joseph Singh, Alessandro Gallo, Jong Suk Yoo, Andrew J. Medford, Frank Abild-Pedersen, Felix Studt, Jakob Kibsgaard, Stacey Bent, Jens K. Nørskov, Thomas F. Jaramillo. Angewandte Chemie, 130, 15265-15270. 2018.

Low-Temperature Methane Partial Oxidation to Syngas with Modular Nanocrystal Catalysts

Emmett Goodman, Allegra A. Latimer, An-Chih Yang, Liheng Wu, Nadia Tahsini, Frank Abild-Pedersen, Matteo Cargnello. ACS Applied Nano Materials, 1, 5258-5267. 2018.

Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer

Leanne D. Chen, Michal Bajdich, J. Mark P. Martirez, Caroline M. Krauter, Joseph A. Gauthier, Emily A. Carter, Alan C. Luntz, Karen Chan, Jens K. Nørskov. Nature Communications, 9, 3202. 2018.

A Strong Support Effect in Selective Propane Dehydrogenation Catalyzed by Ga(i-Bu)3 Grafted onto γ-Alumina and Silica

Kai C Szeto, Zachary R Jones, Nicolas Merle, César Rios, Alessandro Gallo, Frederic Le Quemene, Laurent Delevoye, Régis M Gauvin, Susannah L Scott, Mostafa Taoufik. ACS Catalysis, 8, 7566-7577. 2018.

Direct Methane to Methanol: The Selectivity-Conversion Limit and Design Strategies

Allegra A. Latimer, Arvin Kakekhani, Ambarish Kulkarni, Jens K. Nørskov. ACS Catalysis, 8, 6894. 2018.

Theoretical investigation of methane oxidation on Pd (111) and other metallic surfaces

Jong Suk Yoo, Julia Schumann, Felix Studt, Frank Abild-Pedersen, Jens K Nørskov. The Journal of Physical Chemistry C, 122, 16023-16032. 2018.

The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction

Meredith Fields, Xin Hong, Jens K Nørskov, Karen Chan. Journal of Physical Chemistry C, 122, 16209-16215. 2018.

Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment

Michael Tang, Zachary Ulissi, Karen Chan. The Journal of Physical Chemistry C, 122, 14481-14487. 2018.

Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide

Shucheng Chen, Zhihua Chen, Samira Siahrostami, Drew Higgins, Dennis Nordlund, Dimosthenis Sokaras, Taeho Roy Kim, Yunzhi Liu, Xuzhou Yan, Elisabeth Nilsson, Robert Sinclair, Jens K. Norskov, Thomas F. Jaramillo, Zhenan Bao. Journal of the American Chemical Society, 140, 7851-7859. 2018.

On the Nature of Lone Pair–Surface Bonds and Their Scaling Relations

Arvin Kakekhani, Luke T. Roling, Ambarish Kulkarni, Allegra A. Latimer, Hadi Abroshan, Julia Schumann, Hassan Aljama, Samira Siahrostami, Sohrab Ismail-Beigi, Frank Abild-Pedersen, Jens K. Nørskov. Inorganic Chemistry, 57, 7222-7238. 2018.

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide

Ezra L. Clark, Joaquin Resasco, Alan T. Landers, John C. Lin, Linh-Thao Chung, Amber Walton, Christopher Hahn, Thomas F. Jaramillo, Alexis T. Bell. ACS Catalysis, 8, 6560-6570. 2018.

The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An Experimental and Theoretical Study

Alan T. Landers, Meredith Fields, Daniel A. Torelli, Jianping Xiao, Thomas R. Hellstern, Sonja A. Francis, Charlie Tsai, Jakob Kibsgaard, Nathan S. Lewis, Karen Chan, Christopher Hahn, Thomas F. Jaramillo. ACS Energy Letters, 3, 1450-1457. 2018.

A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis

Shaama Mallikarjun Sharada, Aayush Singh, Brian Andrew Rohr, Yanjing Su, Lijie Qiao, Jens K. Nørskov. Physical Chemistry Chemical Physics, 20, 4982. 2018.

SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces

Shaama Mallikarjun Sharada, Thomas Bligaard, Alan C. Luntz, Geert-Jan Kroes, Jens K. Nørskov. The Journal of Physical Chemistry C, 121, 19807-19815. 2017.

Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides

Joseph H. Montoya, Andrew Doyle, Jens K. Nørskov, Aleksandra Vojvodic. Physical Chemistry Chemical Physics, 20, 3813-3818. 2018.

The Role of Sodium in Tuning Product Distribution in Syngas Conversion by Rh Catalysts

Nuoya Yang, Xinyan Liu, Arun S. Asundi, Jens K. Nørskov, Stacey F. Bent. Catalysis Letters, 148, 289

Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis

Aayush Singh, Joseph H. Montoya, Brian Andrew Rohr, Charlie Tsai , Aleksandra Vojvodic, Jens K. Nørskov. ACS Catalysis, 8, 4017-4024. 2018.

Spin Uncoupling in Chemisorbed OCCO and CO2–Two High-Energy Intermediates in Catalytic CO2 Reduction

Svante Hedström, Egon Campos Dos Santos, Chang Liu, Karen Chan, Frank Abild-Pedersen, Lars GM Pettersson. The Journal of Physical Chemistry C, 122, 12251-12258. 2018.

Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes

Drew Higgins, Melissa Wette, Brenna M. Gibbons, Samira Siahrostami, Christopher Hahn, Maria Escudero-Escribano, Max Garcia-Melchor, Zachary Ulissi, Ryan C. Davis, Apurva Mehta, Bruce M. Clemens, Jens K. Nørskov, Thomas F. Jaramillo. ACS Applied Energy Materials, 1, 1990-1999. 2018.

Center for Interface Science and Catalysis

Publications