Publications

Displaying 1 - 50 of 330
Selectivity of synthesis gas conversion to C2+ oxygenates on fcc (111) transition metal surfaces. Julia Schumann, Andrew J Medford, Jong Suk Yoo, Zhi-Jian Zhao, Pallavi Bothra, Ang Cao, Felix Studt, Frank Abild-Pedersen, Jens K Norskov. ACS Catalysis, 8, 3447-3453. 2018.
Trends in the Catalytic Activity of Hydrogen Evolution during CO2 Electroreduction on Transition Metals. Etosha R. Cave, Chuan Shi, Kendra P. Kuhl, Toru Hatsukade, David N. Abram, Christopher Hahn, Karen Chan, Thomas F. Jaramillo. ACS Catalysis, 8, 3035-3040. 2018.
Generic approach to access barriers in dehydrogenation reactions. Liang Yu, Laia Vilella, Frank Abild-Pedersen. Communications Chemistry, 1, 2. 2018.
Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction. Kun Jiang, Robert B Sandberg, Austin J Akey, Xinyan Liu, David C Bell, Jens K Nørskov, Karen Chan, Haotian Wang. Nature Catalysis, 1, 111-119. 2018.
High-efficiency oxygen reduction to hydrogen peroxide catalysed by oxidized carbon materials. Zhiyi Lu, Guangxu Chen, Samira Siahrostami, Zhihua Chen, Kai Liu, Jin Xie, Lei Liao, Tong Wu, Dingchang Lin, Yayuan Liu, Thomas F. Jaramillo, Jens K. Nørskov, Yi Cui. Nature Catalysis, 156-162. 2018.
Engineering Ru@Pt Core-Shell Catalysts for Enhanced Electrochemical Oxygen Reduction Mass Activity and Stability. Ariel Jackson, Alaina Strickler, Drew Higgins, Thomas F. Jaramillo. Nanomaterials, 8, 38. 2018.
Defective Carbon-Based Materials for the Electrochemical Synthesis of Hydrogen Peroxide. Shucheng Chen, Zhihua Chen, Samira Siahrostami, Taeho Roy Kim, Dennis Nordlund, Dimosthenis Sokaras, Stanislaw Nowak, John W. F. To, Drew Higgins, Robert Sinclair, Jens K. Nørskov, Thomas F. Jaramillo, Zhenan Bao. ACS Sustainable Chemistry & Engineering, 6, 311-317. 2018.
Cation-exchanged zeolites for the selective oxidation of methane to methanol . Ambarish Kulkarni, Zhi-Jian Zhao, Samira Siahrostami, Jens K Norskov, Felix Studt. Catalysis Science & Technology. 2017.
High-efficiency Oxygen Reduction to Hydrogen Peroxide Catalyzed by Oxidized Carbon Materials . Zhiyi Lu, Guangxu Chen, Samira Siahrostami, Zhihua Chen, Kai Liu, Jin Xie, Lei Liao, Dingchang Lin, Yayuan Liu, Thomas F. Jaramillo, Jens K. Nørskov, Yi Cui. Nature Catalysis. 2017.
Defective Carbon-based Materials for the Electrochemical Synthesis of Hydrogen Peroxide. Shucheng Chen, Zhihua Chen, Samira Siahrostami, Taeho Roy Kim, Dennis Nordlund, Dimosthenis Sokaras, Stanisław Henrik Nowak, John W. F. To, Drew Christopher Higgins, Robert Sinclair, Jens K. Norskov, Thomas F. Jaramillo, Zhenan Bao. ACS Sustainable Chemistry and Engineering. 2017.
Impact of Nanostructuring on the Photoelectrochemical Performance of Si-Ta3N5 Nanowire Photoanodes. Ieva Narkeviciute, Thomas F. Jaramillo. Journal of Physical Chemistry C, 27295-27302. 2017.
Highly Stable Molybdenum Disulfide Protected Silicon Photocathodes for Photoelectrochemical Water Splitting. Laurie A. King, Thomas R. Hellstern, Joonsuk Park, Robert Sinclair, Thomas F. Jaramillo. Applied Materials & Interfaces. 2017.
Theoretical Investigations into Defected Graphene for electrochemical Reduction of CO2. Samira Siahrostami, Kun Jiang, Mohammadreza Karamad, Karen Chan, Haotian Wang, Jens Nørskov. ACS Sustainable Chemistry and Engineering. 2017.
Systematic Structure–Property Relationship Studies in Palladium-Catalyzed Methane Complete Combustion. Joshua J Willis, Alessandro Gallo, Dimosthenis Sokaras, Hassan Aljama, Stanislaw H Nowak, Emmett D Goodman, Liheng Wu, Christopher J Tassone, Thomas F Jaramillo, Frank Abild-Pedersen, Matteo Cargnello. ACS Catalysis, 7, 7810-7821. 2017.
Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity. Ezra L. Clark, Christopher Hahn, Thomas F. Jaramillo, Alexis T. Bell. Journal of the American Chemical Society. 2017.
Configurational Energies of Nanoparticles Based on Metal–Metal Coordination. Luke T Roling, Frank Abild-Pedersen. The Journal of Physical Chemistry C, 121, 23002-23010. 2017.
Building upon the Koutecky-Levich Equation for Evaluation of Next-Generation Oxygen Reduction Reaction Catalysts. Shicheng Xu, Yongmin Kim, Drew Higgins, Maha Yusuf, Thomas F. Jaramillo, Fritz B. Prinz. Electrochimica Acta, 255, 99-108. 2017.
Core–Shell Au@Metal-Oxide Nanoparticle Electrocatalysts for Enhanced Oxygen Evolution. Alaina L. Strickler, Maria Escudero-Escribano, Thomas F. Jaramillo. Nano Letters. 2017.
Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double hydroxide nanosheets. Daojin Zhou, Zhao Cai, Yongmin Bi, Weiliang Tian, Ma Luo, Qian Zhang, Qixian Xie, Jindi Wang, Yaping Li, Yun Kuang, Xue Duan, Michal Bajdich, Samira Siahrostami, Xiaoming Sun. Nano Research. 2017.
Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes. Samira Siahrostami, Guo-Ling Li, Jens K. Nørskov, Felix Studt. Catalysis Letters, 147, 2689-2696. 2017.
Understanding Activity Trends in Electrochemical Water Oxidation to form Hydrogen Peroxide. Xinjian Shi, Samira Siahrostami, Guo-Ling Li, Yirui Zhang, Pongkarn Chakthranont, Felix Studt, Thomas F. Jaramillo, Xiaolin Zheng, Jens K. Nørskov. Nature Communications. 2017.
Transition metal atoms in a graphene shell as active centers for highly efficient artificial photosynthesis. Kun Jiang, Samira Siahrostami, Austin J. Akey, Yanbin Li, Zhiyi Lu, Judith Lattimer, Yongfeng Hu, Chris Stokes, Mahesh Gangishetty, Guangxu Chen, Yawei Zhou, Winfield Hill, Wen-Bin Cai, David Bell, Karen Chan, Jens K. Nørskov, Yi Cui, Haotian Wang. Chem. 2017.
Ammonia synthesis from N2 and H2O using a lithium cycling electrification strategy at atmospheric pressure. Joshua M. McEnaney, Aayush R. Singh, Jay A. Schwalbe, Jakob Kibsgaard, John C. Lin, Matteo Cargnello, Thomas F. Jaramillo, Jens K. Nørskov. Energy and Environmental Science, 10, 1621-1630. 2017.
Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters. Thomas R. Hellstern, Jakob Kibsgaard, Charlie Tsai, David W. Palm, Laurie A. King, Frank Abild-Pedersen, Thomas F. Jaramillo. ACS Catalysis, 7, 7126-7130. 2017.
A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2. Colin F. Dickens, Jens K. Nørskov. Journal of Physical Chemistry C, 121, 18516-18524. 2017.
Real-time elucidation of catalytic pathways in CO hydrogenation on Ru. Jerry LaRue, Ondrej Krejci, Liang Yu, Martin Beye, May Ling Ng, Henrik Oberg, Hongliang Xin, Giuseppe Mercurio, Joshua J Turner, Dennis Nordlund, Ryan Coffee, Michael P Minitti, Wilfried Wurth, Lars GM Pettersson, Henrik Ostrom, Anders Nilsson, Frank Abild-Pedersen, Hirohito Ogasawara. The journal of physical chemistry letters, 8, 3820-3825. 2017.
Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction. Zachary Ulissi, Michael Tang, Jianping Xiao, Xinyan Liu, Daniel A Torelli, Mohammadreza Karamad, Kyle Cummins, Christopher Hahn, Nathan S Lewis, Thomas F Jaramillo, Karen Chan, Jens K Norskov. ACS Catalysis, 7, 6600. 2017.
Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide. Joaquin Resasco, Leanne D. Chen, Ezra Clark, Charlie Tsai, Christopher Hahn, Thomas Jaramillo, Karen Chan, Alexis Bell. Journal of the American Chemical Society, 139, 11277-11287. 2017.
Polyol Synthesis of Cobalt–Copper Alloy Catalysts for Higher Alcohol Synthesis from Syngas. Laiza V. P. Mendes, Jonathan L. Snider, Samuel D. Fleischman, Jakob Kibsgaard, Joshua M. McEnaney, Donato A. G. Aranda, Thomas F. Jaramillo. Catalysis Letters, 147, 5399-5409. 2017.
Effects of Gold Substrates on the Intrinsic and Extrinsic Activity of High-Loading Nickel-Based Oxyhydroxide Oxygen Evolution Catalysts. Pongkarn Chakthranont, Jakob Kibsgaard, Alessandro Gallo, Joonsuk Park, Makoto Mitani, Dimosthenis Sokaras, Thomas Kroll, Robert Sinclair, Mogens B. Mogensen, Thomas F. Jaramillo. ACS Catalysis, 7, 5399-5409. 2017.
Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides. Hassan Aljama, Jens K. Nørskov, Frank Abild-Pedersen. Journal of Physical Chemistry C, 121, 16440-16446. 2017.
Rh-MnO Interface Sites Formed by Atomic Layer Deposition Promote Syngas Conversion to Higher Oxygenates. Nuoya Yang, Jong Suk Yoo,, Julia Schumann, Pallavi Bothra, Joseph A Singh, Eduardo Valle, Frank Abild-Pedersen, Jens K Nørskov, Stacey F Bent. ACS Catalysis, 7, 5746-5757. 2017.
Understanding the Influence of [EMIM] Cl on the Suppression of the Hydrogen Evolution Reaction on Transition Metal Electrodes. Jeremy Feaster, Anna Jongerius, Xinyan Liu, Makoto Urushihara, Stephanie A. Nitopi, Christopher Hahn, Karen Chan, Jens K. Nørskov, Thomas F. Jaramillo. Langmuir. 2017.
Understanding Selectivity for the Electrochemical Reduction of Carbon Dioxide to Formic Acid and Carbon Monoxide on Metal Electrodes. Jeremy T. Feaster, C. Shi, Etosha R. Cave, T. Hatsukade, David N. Abram, Kendra P. Kuhl, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo. ACS Catalysis, 7, 4822-4827. 2017.
Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products. Etosha R. Cave, Joseph H. Montoya, Kendra P. Kuhl, David N. Abram, Toru Hatsukade, Chuan Shi, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo. Physical Chemistry Chemical Physics, 19, 15856-15863. 2017.
Engineering Cu surfaces for the electrocatalytic conversion of CO2: Controlling selectivity toward oxygenates and hydrocarbons. Christopher Hahn, Toru Hatsukade, Youn-Geun Kim, Arturas Vailionis, Jack H. Baricuatro, Drew C. Higgins, Stephanie A. Nitopi, Manuel P. Soriaga, Thomas F. Jaramillo. Proceedings of the National Academy of Sciences, 114, 5918-5923. 2017.
Top-down fabrication of fluorine-doped tin oxide nanopillar substrates for solar water splitting. Maureen H. Tang, Pongkarn Chakthranont, Thomas F. Jaramillo. RCS Advances, 7, 28350-28357. 2017.
Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles. Dohyung Kim, Chenlu Xie, Nigel Becknell, Yi Yu, Mohammadreza Karamad, Karen Chan, Ethan J Crumlin, Jens K Norskov, Peidong Yang. Journal of the American Chemical Society. 2017.
A Theoretical Study of Methanol Oxidation on RuO2(110): Bridging the Pressure Gap. Allegra A. Latimer, Frank Abild-Pedersen, Jens K. Nørskov. ACS Catalysis, 7, 4527-4534. 2017.
Understanding trends in electrochemical carbon dioxide reduction rates. Xinyan Liu, Jianping Xiao, Hongjie Peng, Xin Hong, Karen Chan, Jens K. Nørskov. Nature communications. 2017.
Monodisperse Pt/Pd Bimetallic Nanocrystals Demonstrate Platinum Effect on Palladium Methane Combustion Activity and Stability. Emmett D. Goodman, Sheng Dai, An-Chih Yang, Cody J. Wrasman, Alessandro Gallo, Simon R. Bare, Adam S. Hoffman, Thomas F. Jaramillo, George W. Graham, Xiaoqing Pan, Matteo Cargnello. ACS Catalysis, 7, 4372-4380. 2017.
Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110). Joseph A. Gauthier, Colin F. Dickens, Leanne D. Chen, Andrew D. Doyle, Jens K. Nørskov. Journal of Physical Chemistry C, 121, 11455-11463. 2017.
Transition Metal-Modified Zirconium Phosphate Electrocatalysts for the Oxygen Evolution Reaction. Joel Sanchez, Mario V. Ramos-Garcés, Ieva Narkeviciute, Jorge L. Colón, Thomas F. Jaramillo. Catalysts, 7, 132. 2017.
Li+ Defects in a Solid-State Li Ion Battery: Theoretical Insights with a Li3OCl Electrolyte. Saskia Stegmaier, Johannes Voss, Karsten Reuter, Alan C. Luntz. Chemistry of Materials, 29, 4330-4340. 2017.
Identifying the active surfaces of electrochemically tuned LiCoO2 for oxygen evolution reaction. Zhiyi Lu, Guangxu Chen, Yanbin Li, Haotian Wang, Jin Xie, Lei Liao, Chong Liu, Yayuan Liu, Tong Wu, Yuzhang Li, Alan C. Luntz, Michal Bajdich, Yi Cui. Journal of American Chemical Society. 2017.
Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution. Charlie Tsai, Hong Li, Sangwook Park, Joonsuk Park, Hyun Soo Han, Jens K. Nørskov, Xiaolin Zheng, Frank Abild-Pedersen. Nature Communications. 2017.
Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys. Mie Andersen, Andrew J. Medford, Jens K. Nørskov, Karsten Reuter. ACS Catalysis, 7, 3960-3967. 2017.
To address surface reaction network complexity using scaling relations machine learning and DFT calculations. Zachary W. Ulissi, Andrew J. Medford, Thomas Bligaard, Jens K. Nørskov. Nature Communications
Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides. Andrew D. Doyle, Michal Bajdich, Aleksandra Vojvodic. Catalysis Letters, 147. 2017.