Search Results - "Nørskov, Jens K"

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis by Medford, Andrew J., Vojvodic, Aleksandra, Hummelshøj, Jens S., Voss, Johannes, Abild-Pedersen, Frank, Studt, Felix, Bligaard, Thomas, Nilsson, Anders, Nørskov, Jens K.

“…[Display omitted] •Metal catalysis theory from scaling relations, activity maps, and d-band model.•Bond strength in Sabatier principle is given quantitatively…”
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Understanding trends in electrochemical carbon dioxide reduction rates by Liu, Xinyan, Xiao, Jianping, Peng, Hongjie, Hong, Xin, Chan, Karen, Nørskov, Jens K.

“…Electrochemical carbon dioxide reduction to fuels presents one of the great challenges in chemistry. Herein we present an understanding of trends in…”
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Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide by Chen, Shucheng, Chen, Zhihua, Siahrostami, Samira, Higgins, Drew, Nordlund, Dennis, Sokaras, Dimosthenis, Kim, Taeho Roy, Liu, Yunzhi, Yan, Xuzhou, Nilsson, Elisabeth, Sinclair, Robert, Nørskov, Jens K, Jaramillo, Thomas F, Bao, Zhenan

“…Heteroatom-doped carbons have drawn increasing research interest as catalysts for various electrochemical reactions due to their unique electronic and surface…”
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Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination by Jiang, Kun, Back, Seoin, Akey, Austin J., Xia, Chuan, Hu, Yongfeng, Liang, Wentao, Schaak, Diane, Stavitski, Eli, Nørskov, Jens K., Siahrostami, Samira, Wang, Haotian

“…Shifting electrochemical oxygen reduction towards 2e – pathway to hydrogen peroxide (H 2 O 2 ), instead of the traditional 4e – to water, becomes increasingly…”
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Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces by Hansen, Heine A, Viswanathan, Venkatasubramanian, Nørskov, Jens K

“…Oxygen electrochemistry has played a key role in developing the foundational understanding of surface electrocatalysis. In this work, we develop a detailed…”
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Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water by Bajdich, Michal, García-Mota, Mónica, Vojvodic, Aleksandra, Nørskov, Jens K., Bell, Alexis T.

“…The presence of layered cobalt oxides has been identified experimentally in Co-based anodes under oxygen-evolving conditions. In this work, we report the…”
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Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles by Kim, Dohyung, Xie, Chenlu, Becknell, Nigel, Yu, Yi, Karamad, Mohammadreza, Chan, Karen, Crumlin, Ethan J, Nørskov, Jens K, Yang, Peidong

“…Precise control of elemental configurations within multimetallic nanoparticles (NPs) could enable access to functional nanomaterials with significant…”
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Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110) by Gauthier, Joseph A, Dickens, Colin F, Chen, Leanne D, Doyle, Andrew D, Nørskov, Jens K

“…We study the electrochemical interface between rutile IrO2(110) and water to investigate how the inclusion of an explicit solvent influences the stabilities of…”
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Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution by Tsai, Charlie, Li, Hong, Park, Sangwook, Park, Joonsuk, Han, Hyun Soo, Nørskov, Jens K., Zheng, Xiaolin, Abild-Pedersen, Frank

“…Recently, sulfur (S)-vacancies created on the basal plane of 2 H -molybdenum disulfide (MoS 2 ) using argon plasma exposure exhibited higher intrinsic activity…”
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Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide by Shi, Xinjian, Siahrostami, Samira, Li, Guo-Ling, Zhang, Yirui, Chakthranont, Pongkarn, Studt, Felix, Jaramillo, Thomas F., Zheng, Xiaolin, Nørskov, Jens K.

“…Electrochemical production of hydrogen peroxide (H 2 O 2 ) from water oxidation could provide a very attractive route to locally produce a chemically valuable…”
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Electrochemical Ammonia SynthesisThe Selectivity Challenge by Singh, Aayush R, Rohr, Brian A, Schwalbe, Jay A, Cargnello, Matteo, Chan, Karen, Jaramillo, Thomas F, Chorkendorff, Ib, Nørskov, Jens K

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Density functional theory in surface chemistry and catalysis by Nørskov, Jens K., Abild-Pedersen, Frank, Stud, Felix, Bligaard, Thomas, Campbell, Charles T.

“…Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts…”
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Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO by Hansen, Heine A, Varley, Joel B, Peterson, Andrew A, Nørskov, Jens K

“…We develop a model based on density functional theory calculations to describe trends in catalytic activity for CO2 electroreduction to CO in terms of the…”
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Understanding Selectivity for the Electrochemical Reduction of Carbon Dioxide to Formic Acid and Carbon Monoxide on Metal Electrodes by Feaster, Jeremy T, Shi, Chuan, Cave, Etosha R, Hatsukade, Toru, Abram, David N, Kuhl, Kendra P, Hahn, Christopher, Nørskov, Jens K, Jaramillo, Thomas F

“…Increases in energy demand and in chemical production, together with the rise in CO2 levels in the atmosphere, motivate the development of renewable energy…”
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Enhancement of lithium-mediated ammonia synthesis by addition of oxygen by Li, Katja, Andersen, Suzanne Z, Statt, Michael J, Saccoccio, Mattia, Bukas, Vanessa J, Krempl, Kevin, Sažinas, Rokas, Pedersen, Jakob B, Shadravan, Vahid, Zhou, Yuanyuan, Chakraborty, Debasish, Kibsgaard, Jakob, Vesborg, Peter C K, Nørskov, Jens K, Chorkendorff, Ib

“…Owing to the worrying increase in carbon dioxide concentrations in the atmosphere, there is a need to electrify fossil-fuel–powered chemical processes such as…”
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ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide by Kelly, Sara R, Shi, Xinjian, Back, Seoin, Vallez, Lauren, Park, So Yeon, Siahrostami, Samira, Zheng, Xiaolin, Nørskov, Jens K

“…Electrochemical synthesis of hydrogen peroxide (H2O2) via two-electron water oxidation reaction (2e-WOR) is an ideal process for delocalized production for…”
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On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces by Lausche, Adam C., Medford, Andrew J., Khan, Tuhin Suvra, Xu, Yue, Bligaard, Thomas, Abild-Pedersen, Frank, Nørskov, Jens K., Studt, Felix

“…This paper investigates the effect of adsorbate–adsorbate interactions on the CO methanation rates of transition metal surfaces. These interactions tend to…”
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Strategies toward Selective Electrochemical Ammonia Synthesis by Singh, Aayush R, Rohr, Brian A, Statt, Michael J, Schwalbe, Jay A, Cargnello, Matteo, Nørskov, Jens K

“…The active and selective electroreduction of atmospheric nitrogen (N2) to ammonia (NH3) using energy from solar or wind sources at the point of use would…”
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Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction by Ulissi, Zachary W, Tang, Michael T, Xiao, Jianping, Liu, Xinyan, Torelli, Daniel A, Karamad, Mohammadreza, Cummins, Kyle, Hahn, Christopher, Lewis, Nathan S, Jaramillo, Thomas F, Chan, Karen, Nørskov, Jens K

“…Bimetallic catalysts are promising for the most difficult thermal and electrochemical reactions, but modeling the many diverse active sites on polycrystalline…”
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Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites by Kulkarni, Ambarish R, Zhao, Zhi-Jian, Siahrostami, Samira, Nørskov, Jens K, Studt, Felix

“…Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged…”
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