Publications

Displaying 351 - 400 of 629

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.

Micro Fabricated Electrochemical Gas Sensor

Pierre-Alexandre Gross , Tom Larsen , Frédéric Loizeau , Thomas Jaramillo , Denis Spitzer , Beth Pruitt. Micro & Nano Letters, 5, 798-802. 2016.

Direct and continuous strain control of catalysts with tunable battery electrode materials

Haotian Wang, Shicheng Xu, Charlie Tsai, Yuzhang Li, Chong Liu, Jie Zhao, Yayuan Liu, Hongyuan Yuan, Frank Abild-Pedersen, Fritz B. Prinz, Jens K. Nørskov, Yi Cui. Science, 354, 1031-1036. 2016.

High-performance oxygen reduction and evolution carbon catalysis: From mechanistic studies to device integration

John W. F. To, Jia Wei Desmond Ng, Samira Siahrostami, Ai Leen Koh, Yangjin Lee, Zhihua Chen, Kara D. Fong, Shucheng Chen, Jiajun He, Won-Gyu Bae, Jennifer Wilcox, Hu Young Jeong, Kwanpyo Kim, Felix Studt, Jens K. Nørskov, Thomas F. Jaramillo, Zhenan Bao. Nano Research, 1-15. 2017.

Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites

Ambarish R. Kulkarni, Zhi-Jian Zhao, Samira Siahrostami, Jens K Nørskov, Felix Studt. ACS Catalysis, 6, 6531-6536. 2016.

Tandem Core-Shell Si–Ta3N5 Photoanodes for Photoelectrochemical Water Splitting

Ieva Narkeviciute, Pongkarn Chakthranont, Adriaan J. M. Mackus, Christopher Hahn, Blaise A. Pinaud, Stacey F. Bent, Thomas F. Jaramillo. Nano Letters, 16, 7565-7572. 2016.

Solar water splitting by photovoltaic-electrolysis with a solar-to-hydrogen efficiency over 30%

Jieyang Jia, Linsey C. Seitz, Jesse D. Benck, Yijie Huo, Yusi Chen, Jia Wei Desmond Ng, Taner Bilir, James S. Harris, Thomas F. Jaramillo. Nature Communications, 7, 13237. 2016.

Exploring Scaling Relations for Chemisorption Energies on Transition‐Metal‐Exchanged Zeolites ZSM‐22 and ZSM‐5

Samira Siahrostami, Hanne Falsig, Pablo Beato, Poul Georg Moses, Jens K. Nørskov, Felix Studt. ChemCatChem, 8, 767-772. 2016.

Methanol Partial Oxidation on Ag(111) from First Principles

Hassan Aljama, Jong Suk Yoo, Jens K Nørskov, Frank Abild-Pedersen, Felix Studt. ChemCatChem, 8, 1-6. 2016.

Functional Independent Scaling Relation for ORR/OER Catalysts

Rune Christensen, Heine A. Hansen, Colin F. Dickens, Jens K. Nørskov , Tejs Vegge. The Journal of Physical Chemistry C, 120, 24910-24916. 2016.

CO-CO coupling on Cu facets: Coverage, strain and field effects

Robert B. Sandberg, Joseph H. Montoya, Karen Chan, Jens K. Nørskov . Surface Science, 654, 56-62. 2016.

Electric Field Effects in Electrochemical CO2 Reduction

Leanne D. Chen, Makoto Urushihara, Karen Chan, Jens K. Nørskov. ACS Catalysis, 6, 7133-7139. 2016.

Sintering of Pt Nanoparticles via Volatile PtO2: Simulation and Comparison with Experiments

Philipp N. Plessow, Frank Abild-Pedersen. ACS Catalysis, 6, 7098-7108. 2016.

Comparative Analysis of Cobalt Oxide Nanoisland Stability and Edge Structures on Three Related Noble Metal Surfaces: Au(111), Pt(111) and Ag(111)

Jakob Fester, Michal Bajdich, Alex S. Walton, Z. Sun, Philipp N. Plessow, Aleksandra Vojvodic, Jeppe V. Lauritsen. Topics in Catalysis. 2016.

A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction

L.C. Seitz , C.F. Dickens, K. Nishio, Y. Hikita, J. Montoya, A. Doyle, C. Kirk, A. Vojvodic, H.Y. Hwang, J.K. Nørskov, T.F. Jaramillo. Science, 353, 1011-1014. 2016.

Computational Catalyst Screening: Scaling, Bond-order and Catalysis

Frank Abild-Pedersen. Catalysis Today, 272, 6-13. 2016.

Chemical Bond Activation Observed with an X-ray Laser

Martin Beye, Henrik Öberg, Hongliang Xin, Georgi L. Dakovski, Martina Dell'Angela, Alexander Föhlisch, Jörgen Gladh, Markus Hantschmann, Florian Hieke, Sarp Kaya, Danilo Kühn, Jerry LaRue, Giuseppe Mercurio, Michael P. Minitti, Ankush Mitra, Stefan P. Möller, May Ling Ng, Anders Nilsson, Dennis Nordlund, Jens K. Nørskov, Henrik Öström, Hirohito Ogasawara, Mats Persson, William F. Schlotter, Jonas A. Sellberg, Martin Wolf, Frank Abild-Pedersen, Lars G. M. Pettersson, Wilfried Wurth. Journal of Physical Chemistry Letters, 7, 3647-3651. 2016.

Two-Dimensional Materials as Catalysts for Energy Conversion

Samira Siahrostami, Charlie Tsai, Mohammadreza Karamad, Ralph Koitz, Max García-Melchor, Michal Bajdich, Aleksandra Vojvodic, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. Catalysis Letters, 46, 1917-1921. 2016.

Barriers of Electrochemical CO2 Reduction on Transition Metals

Chuan Shi, Karen Chan, Jong Suk Yoo, Jens K. Nørskov . Organic Process Research and Development, 20, 1424-1430. 2016.

How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction

Xin Hong, Karen Chan, Charlie Tsai, Jens K. Nørskov . ACS Catalysis, 6, 4428-4437. 2016.

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

Z.W. Seh, K.D. Fredrickson, B. Anasori, J. Kibsgaard, A.L. Strickler, M.R. Lukatskaya, Y. Gogotsi, T.F. Jaramillo, A. Vojvodic . ACS Energy Letters, 1, 589-594. 2016.

Hydrodeoxygenation of phenol to benzene and cyclohexane on Rh (111) and Rh (211) surfaces: Insights from density functional theory

Delfina Garcia-Pintos, Johannes Voss, Anker D Jensen, Felix Studt. Journal of Physical Chemistry C, 120, 18529-18537. 2016.

mBEEF-vdW: Robust fitting of error estimation density functionals

Keld T Lundgaard, Jess Wellendorff, Johannes Voss, Karsten W Jacobsen, Thomas Bligaard. Physical Review B, 93, 235162. 2016.

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction

Shuyi Zhang, Philipp N Plessow, Joshua J. Willis, Sheng Dai, Mingjie Xu, George W. Graham, Matteo Cargnello, Frank Abild-Pedersen, Xiaoqing Pan. Nano Letters, 16, 4528-4534. 2016.

Framework for Scalable Adsorbate–Adsorbate Interaction Models

Max J. Hoffmann, Andrew Medford, Thomas Bligaard. The Journal of Physical Chemistry C, 120, 13087-13094. 2016.

Molybdenum Disulfide as a Protection Layer and Catalyst for Gallium Indium Phosphide Solar Water Splitting Photocathodes

Reuben J. Britto, Jesse D. Benck, James L. Young, Christopher Hahn, Todd G. Deutsch, Thomas F. Jaramillo. Journal of Physical Chemistry Letters, 7, 2044-2049. 2016.

Mesoporous platinum nickel thin films with double gyroid morphology for the oxygen reduction reaction

J. Kibsgaard, A. Jackson, T.F. Jaramillo. Nano Energy, 29, 243-248. 2016.

Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films

Philipp N. Plessow, Michal Bajdich, Joshua Greene, Aleksandra Vojvodic, Frank Abild-Pedersen. Journal of Physical Chemistry C, 120, 10351-10360. 2016.

Modeling the Interface of Platinum and α-Quartz(001): Implications for Sintering

Philipp N. Plessow, Roel S. Sánchez-Carrera, Lin Li, Michael Rieger, Simeon Sauer, Ansgar Schaefer, Frank Abild-Pedersen. Journal of Physical Chemistry C, 120, 10340-10350. 2016.

Theoretical Insights into the Selective Oxidation of Methane to Methanol in Copper-Exchanged Mordenite

Zhi-Jian Zhao, Ambarish Kulkarni, Laia Vilella, Jens K. Nørskov, Felix Studt. ACS Catalysis, 6, 3760-3766. 2016.

Gold-supported cerium-doped NiOx catalysts for water oxidation

J.W.D. Ng, M. Garcia-Melchor, M. Bajdich, P. Chakthranont, C. Kirk, A. Vojvodic, T.F. Jaramillo. Nature Energy, 1, 16053. 2016.

On the pH dependence of electrochemical proton transfer barriers

Jan Rossmeisl, Karen Chan, Egill Skulason, Morten Björketun, Vladimir Tripkovic. Catalysis Today, 262, 36-40. 2016.

Potential Dependence of Electrochemical Barriers from ab Initio Calculations

Karen Chan, Jens K Nørskov. Journal of Physical Chemistry Letters, 7, 1686-1690. 2016.

Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories

Marek Pruski, Aaron D. Sadow, Igor I. Slowing, Christopher L. Marshall, Peter Stair, Jose Rodriguez, Alex Harris, Gabor A. Somorjai , Juergen Biener , Christopher Matranga , Congjun Wang, Joshua A. Schaidle , Daniel A. Ruddy, Gregg T. Beckham, Todd Deutsch, Shaun M. Alia , Chaitanya Narula, Steve Overbury, Todd Toops, R. Morris Bullock, Charles H. F. Peden, Yong Wang, Mark D. Allendorf, Jens Nørskov , Thomas Bligaard. ACS Catalysis, 6, 3227-3235. 2016.

High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties

Adam Jaffe, Yu Lin, Christine M. Beavers, Johannes Voss, Wendy L. Mao, Hemamala I. Karunadasa. ACS Central Science, 2, 201-209. 2016.

Center for Interface Science and Catalysis

Publications