SUNCAT Publications

Displaying 201 - 250 of 512
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.
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.
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.
High‐Energy‐Resolution X‐ray Absorption Spectroscopy for Identification of Reactive Surface Species on Supported Single‐Site Iridium Catalysts. Adam S Hoffman, Dimosthenis Sokaras, Shengjie Zhang, Louise M Debefve, Chia‐Yu Fang, Alessandro Gallo, Thomas Kroll, David A Dixon, Simon R Bare, Bruce C Gates. Chemistry–A European Journal, 23, 14760. 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.
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.
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.
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, 8, 15113. 2017.
Dynamics of methane dissociation on transition metals. Alan C Luntz, Rainer D Beck. Journal of Vacuum Science & Technology A, 35, 05C201. 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.
Importance of singlet oxygen. Alan C. Luntz, Bryan D. McCloskey. Nature Energy, 2, 17056. 2017.
Carbon Dioxide Electroreduction using a Silver–Zinc Alloy. Toru Hatsukade, Kendra P. Kuhl, Etosha R. Cave, David N. Abram, Jeremy T. Feaster, Anna L. Jongerius, Christopher Hahn, Thomas F. Jaramillo. Energy Technology, 5, 955-961. 2017.
Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces. Meredith Fields, Charlie Tsai, Leanne D. Chen, Frank Abild-Pedersen, Jens K. Nørskov, Karen Chan. ACS Catalysis, 7, 2528-2534. 2017.
Poly(vinylidene fluoride) (PVDF) Binder Degradation in Li–O2 Batteries: A Consideration for the Characterization of Lithium Superoxide. Joseph K. Papp, Jason D. Forster, Colin M. Burke, Hyo Won Kim, Alan C. Luntz, Robert M. Shelby, Jeffrey J. Urban, Bryan D. McCloskey. The Journal of Physical Chemistry Letters, 8, 1169-1174. 2017.
One- or Two-electron Water Oxidation, Hydroxyl Radical or H2O2 Evolution. Samira Siahrostami, Guo-Ling Li, Venkatasubramanian Viswanathan, Jens K. Nørskov. The Journal of Physical Chemistry Letters, 8, 1157-1160. 2017.
Development of a reactor with carbon catalysts for modular-scale, low-cost electrochemical generation of H 2 O 2. Zhihua Chen, Shucheng Chen, Samira Siahrostami, Pongkarn Chakthranont, Christopher Hahn, Dennis Nordlund, Sokaras Dimosthenis, Jens K. Nørskov, Zhenan Bao, Thomas F. Jaramillo. Reaction Chemistry & Engineering. 2017.
Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach. Lin Li, Philipp N Plessow, Michael Rieger, Simeon Sauer, Roel Sanchez, Ansgar Schaefer, Frank Abild-Pedersen. Journal of Physical Chemistry C, 121, 4261-4269. 2017.
Catalysis in Real Time using X-ray Lasers. Anders Nilsson, Jerry LaRue, Henrik Öberg, Hirohito Ogasawara, Martina Dell'Angela, Martin Beye, Henrik Öström, Jörgen Gladh, Jens K. Nørskov, Wilfried Wurth, Frank Abild-Pedersen, Lars G.M. Pettersson. Chemical Physics Letters, 675, 145-173. 2017.
Electrochemical Ammonia Synthesis - The Selectivity Challenge. Aayush R. Singh, Brian A Rohr, J. A. Schwalbe, Matteo Cargnello, Karen Chan, Thomas F. Jaramillo, Ib Chorkendorff, Jens. K. Nørskov. ACS Catalysis, 7, 706-709. 2017.
Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands. J. Fester, Max Garcia-Melchor, A.S. Walton, Michal Bajdich, Z. Li, L. Lammich, Aleksandra Vojvodic, Jeppe V. Lauritsen. Nature Communications, 8, 14169. 2017.
Operando investigation of Au-MnOx thin films with improved activity for the oxygen evolution reaction. Rasmus Frydendal, Linsey C. Seitz, D. Sokaras, T.-C. Weng, Dennis Nordlund, Ib Chorkendorff, Ifan E.L. Stephens, Thomas F. Jaramillo . Electrochimica Acta, 230, 22-28. 2017.
Mechanistic insights into heterogeneous methane activation. Allegra A. Latimer, Hassan Aljama, Arvin Kakekhani, Jong Suk Yoo, Ambarish Kulkarni, Charlie Tsai, Max Garcia-Melchor, Frank Abild-Pedersen, Jens K. Nørskov. Physical Chemistry Chemical Physics, 19, 3575-3581. 2017.
Combining theory and experiment in electrocatalysis: Insights into materials design . Z.W. Seh, Jakob Kibsgaard, Colin F. Dickens, Ib Chorkendorff, Jens K. Nørskov, Thomas F. Jaramillo . Science, 355. 2017.
Active and Stable Ir@Pt Core–Shell Catalysts for Electrochemical Oxygen Reduction. Alaina L. Strickler, Ariel Jackson, Thomas F. Jaramillo. ACS Energy Letters, 2, 224-229. 2017.
Bond Order Conservation Strategies in Catalysis Applied to the NH3 Decomposition Reaction. Liang Yu, Frank Abild-Pedersen. ACS Catalysis, 7, 864-871. 2017.
Understanding trends in C–H bond activation in heterogeneous catalysis. Allegra A. Latimer, Ambarish R. Kulkarni, Hassan Aljama, Joseph H. Montoya, Jong Suk Yoo, Charlie Tsai, Frank Abild-Pedersen, Felix Studt, Jens K. Nørskov. Nature Materials, 16, 225-229. 2017.
Materials for solar fuels and chemicals. J.H. Montoya, L.C. Seitz, P. Chakthranont, A. Vojvodic, T.F. Jaramillo, J.K. Nørskov. Nature Materials, 16, 70-81. 2017.
Water Dissociative Adsorption on NiO(111): Energetics and Structure of the Hydroxylated Surface. Wei Zhao, Michal Bajdich, Spencer Carey, Aleksandra Vojvodic, Jens K. Nørskov, Charles T. Campbell. ACS Catalysis, 6, 7377-7384. 2016.