Jan Rossmeisl

Jan Rossmeisl

Professor

ORCID: 0000-0001-7749-6567

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  1. Published

    2022 roadmap on low temperature electrochemical CO2 reduction

    Stephens, I. E. L., Chan, K., Bagger, A., Boettcher, S. W., Bonin, J., Boutin, E., Buckley, A. K., Buonsanti, R., Cave, E. R., Chang, X., Chee, S. W., da Silva, A. H. M., de Luna, P., Einsle, O., Endrodi, B., Escudero-Escribano, M., de Araujo, J. V. F., Figueiredo, M. C., Hahn, C., Hansen, K. U. & 33 others, Haussener, S., Hunegnaw, S., Huo, Z., Hwang, Y. J., Janaky, C., Jayathilake, B. S., Jiao, F., Jovanov, Z. P., Karimi, P., Koper, M. T. M., Kuhl, K. P., Lee, W. H., Liang, Z., Liu, X., Ma, S., Ma, M., Oh, H., Robert, M., Cuenya, B. R., Rossmeisl, Jan, Roy, C., Ryan, M. P., Sargent, E. H., Sebastian Pascual, Paula, Seger, B., Steier, L., Strasser, P., Varela, A. S., Vos, R. E., Wang, X., Xu, B., Yadegari, H. & Zhou, Y., 1 Oct 2022, In: JPhys Energy. 4, 4, 84 p., 042003.

    Research output: Contribution to journal › Review › Research › peer-review

  2. Published

    Operando XAS Study of the Surface Oxidation State on a Monolayer IrOx on RuOx and RuOx Based Nanoparticles for Oxygen Evolution in Acidic Media

    Pedersen, A. F., Escudero Escribano, Maria, Sebok, B., Bodin, A., Paoli, E., Frydendal, R., Friebel, D., Stephens, I. E. L., Rossmeisl, Jan, Chorkendorff, I. & Nilsson, A., 2018, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 122, 2, p. 878-887 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    A DFT structural investigation of new bimetallic PtSnx surface alloys formed on the Pt(110) surface and their interaction with carbon monoxide

    Zheng, J., Busch, M., Artiglia, L., Skála, T., Rossmeisl, Jan & Agnoli, S., 2016, In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter. 120, 44, p. 25306-25316 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. Published

    A Flexible Theory for Catalysis: Learning Alkaline Oxygen Reduction on Complex Solid Solutions within the Ag−Pd−Pt−Ru Composition Space**

    Clausen, C. M., Krysiak, O. A., Banko, L., Pedersen, Jack Kirk, Schuhmann, W., Ludwig, A. & Rossmeisl, Jan, 2023, In: Angewandte Chemie - International Edition. 62, 39, 8 p., e202307187.

    Research output: Contribution to journal › Journal article › Research › peer-review

  5. Published

    A Mean-Field Model for Oxygen Reduction Electrocatalytic Activity on High-Entropy Alloys

    Pedersen, Jack Kirk, Clausen, Christian Møgelberg, Skjegstad, L. E. J. & Rossmeisl, Jan, 11 Aug 2022, In: ChemCatChem. 14, 18, 9 p., 202200699.

    Research output: Contribution to journal › Journal article › Research › peer-review

  6. Published

    A Monolayer Carbon Nitride on Au(111) with a High Density of Single Co Sites

    Gammelgaard, J. J., Sun, Z., Vestergaard, A. K., Zhao, S., Li, Z., Lock, N., Daasbjerg, K., Bagger, A., Rossmeisl, Jan & Lauritsen, J. V., 2023, In: ACS Nano. 17, 17, p. 17489-17498 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. Published

    A Robust PtNi Nanoframe/N-Doped Graphene Aerogel Electrocatalyst with Both High Activity and Stability

    Yang, J., Hübner, R., Zhang, J., Wan, H., Zheng, Y., Wang, H., Qi, H., He, L., Li, Y., Dubale, A. A., Sun, Y., Liu, Y., Peng, D., Meng, Y., Zheng, Z., Rossmeisl, Jan & Liu, W., 2021, In: Angewandte Chemie - International Edition. 60, 17, p. 9590-9597 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  8. Published

    Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions

    Bagger, A., Arán-Ais, R. M., Halldin Stenlid, J., Campos Dos Santos, E., Arnarson, L., Jensen, K. D., Escudero Escribano, Maria, Roldan Cuanya, B. & Rossmeisl, Jan, 2019, In: ChemPhysChem. 20, 22, p. 3096-3105

    Research output: Contribution to journal › Journal article › Research › peer-review

  9. Published

    Ab Initio to Activity: Machine Learning-Assisted Optimization of High-Entropy Alloy Catalytic Activity

    Clausen, Christian Møgelberg, Nielsen, Martin Lillebro Striib, Pedersen, Jack Kirk & Rossmeisl, Jan, 2023, In: High Entropy Alloys & Materials. 1, p. 120–133 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    Accessing the Inaccessible: Analyzing the Oxygen Reduction Reaction in the Diffusion Limit

    Zana, A., Wiberg, G. K. H., Deng, Y., Østergaard, T., Rossmeisl, Jan & Arenz, Matthias, 2017, In: A C S Applied Materials and Interfaces. 9, 44, p. 38176-38180 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Activity-Selectivity Trends in the Electrochemical Production of Hydrogen Peroxide over Single-Site Metal-Nitrogen-Carbon Catalysts

    Sun, Y., Silvioli, L., Sahraie, N. R., Ju, W., Li, J., Zitolo, A., Li, S., Bagger, A., Arnarson, L., Wang, X., Moeller, T., Bernsmeier, D., Rossmeisl, Jan, Jaouen, F. & Strasser, P., 7 Aug 2019, In: Journal of the American Chemical Society. 141, 31, p. 12372-12381

    Research output: Contribution to journal › Journal article › Research › peer-review

  12. Published

    Atomic scale analysis of sterical effects in the adsorption of 4,6-dimethyldibenzothiophene on a CoMoS hydrotreating catalyst

    Gronborg, S. S., Saric, M., Moses, P. G., Rossmeisl, Jan & Lauritsen, J. V., 2016, In: Journal of Catalysis. 344, p. 121-128 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  13. Published

    Atomic-scale analysis of the RuO2/water interface under electrochemical conditions

    Watanabe, E., Rossmeisl, Jan, Björketun, M. E., Ushiyama, H. & Yamashita, K., 2016, In: The Journal of Physical Chemistry Part C. 120, 15, p. 8096-8103 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  14. Published

    Bayesian Optimization of High-Entropy Alloy Compositions for Electrocatalytic Oxygen Reduction

    Pedersen, Jack Kirk, Clausen, Christian Møgelberg, Krysiak, O. A., Xiao, B., Batchelor, T. A. A., Löffler, T., Mints, V. A., Banko, L., Arenz, M., Savan, A., Schuhmann, W., Ludwig, A. & Rossmeisl, Jan, 10 Sep 2021, In: Angewandte Chemie International Edition. 60, 45, p. 24144-24152 9.

    Research output: Contribution to journal › Journal article › Research › peer-review

  15. Published

    Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution

    Busch, M., Halck, N. B., Kramm, U. I., Siahrostami, S., Krtil, P. & Rossmeisl, Jan, 2016, In: Nano Energy. 29, p. 126-135 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  16. Published

    Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles

    Mathiesen, J. K., Bøjesen, E. D., Pedersen, Jack Kirk, Kjær, E. T. S., Juelsholt, M., Cooper, S., Quinson, J., Anker, Andy Sode, Cutts, G., Keeble, D. S., Thomsen, Maria Storm, Rossmeisl, Jan & Jensen, Kirsten Marie Ørnsbjerg, 2022, In: Small Methods. 6, 6, 11 p., 2200420.

    Research output: Contribution to journal › Journal article › Research › peer-review

  17. Published

    Bridging the Catalyst Reactivity Gap between Au and Cu for the Reverse Water-Gas Shift Reaction

    Yan, D., Kristoffersen, Henrik Høgh, Castelli, I. E. & Rossmeisl, Jan, 2022, In: Journal of Physical Chemistry C. 126, 46, p. 19756−19765 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  18. Published

    Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts

    Cepitis, R., Ivaništšev, V., Rossmeisl, Jan & Kongi, N., 2024, In: Catalysis Science and Technology. 14, 8, p. 2105–2113 9 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  19. Published

    CO2 electroreduction on copper-cobalt nanoparticles: Size and composition effect

    Bernal, M., Bagger, A., Scholten, F., Sinev, I., Bergmann, A., Ahmadi, M., Rossmeisl, Jan & Cuenya, B. R., 2018, In: Nano Energy. 53, p. 27-36 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  20. Published

    Can the CO2 Reduction Reaction Be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces

    Christensen, Oliver, Zhao, S., Sun, Z., Bagger, A., Lauritsen, J. V., Pedersen, S. U., Daasbjerg, K. & Rossmeisl, Jan, 2022, In: ACS Catalysis. 12, 24, p. 15737-15749 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  21. Published

    Catalysis of C-N Coupling on High-Entropy Alloys

    Plenge, Mads Kastrup, Pedersen, Jack Kirk, Bagger, A. & Rossmeisl, Jan, 2024, In: Journal of Catalysis. 430, 9 p., 115322.

    Research output: Contribution to journal › Journal article › Research › peer-review

  22. Published

    Catalyst design criteria and fundamental limitations in the electrochemical synthesis of dimethyl carbonate

    Saric, M., Davies, B. J. V., Schjødt, N. C., Dahl, S., Moses, P. G., Escudero Escribano, Maria, Arenz, Matthias & Rossmeisl, Jan, 2019, In: Green Chemistry. 21, 22, p. 6200-6209

    Research output: Contribution to journal › Journal article › Research › peer-review

  23. Published

    Catalytic CO2/CO Reduction: Gas, Aqueous, and Aprotic Phases

    Bagger, A., Christensen, Oliver, Ivanistsev, Vladislav & Rossmeisl, Jan, 18 Feb 2022, In: ACS Catalysis. 12, 4, p. 2561-2568 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  24. Published

    Chemical Insights into the Formation of Colloidal Iridium Nanoparticles from In Situ X-ray Total Scattering: Influence of Precursors and Cations on the Reaction Pathway

    Mathiesen, J. K., Quinson, J., Blaseio, S., Kjær, E. T. S., Dworzak, A., Cooper, S. R., Pedersen, Jack Kirk, Wang, Baiyu, Bizzotto, F., Schröder, J., Kinnibrugh, T. L., Simonsen, S. B., Theil Kuhn, L., Kirkensgaard, Jacob Judas Kain, Rossmeisl, Jan, Oezaslan, M., Arenz, Matthias & Jensen, Kirsten Marie Ørnsbjerg, 2023, In: Journal of the American Chemical Society. 145, 3, p. 1769-1782 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  25. Published

    Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy

    Koroidov, S., Winiwarter, A., Diaz-morales, O., Görlin, M., Halldin Stenlid, J., Wang, H., Börner, M., Goodwin, C. M., Soldemo, M., Pettersson, L. G. M., Rossmeisl, Jan, Hansson, T., Chorkendorff, I. & Nilsson, A., 2021, In: Catalysis Science and Technology. 11, 10, p. 3347-3352 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  26. Published

    Chemisorption of gas atoms on one-dimensional transition-metal halides

    Moustafa, H., Mortensen, J. J., Rossmeisl, Jan & Jacobsen, K. W., 2024, In: Applied Surface Science. 649, 9 p., 159168.

    Research output: Contribution to journal › Journal article › Research › peer-review

  27. Published

    Climbing the 3D Volcano for the Oxygen Reduction Reaction Using Porphyrin Motifs

    Wan, H., Ostergaard, T. M., Arnarson, L. & Rossmeisl, Jan, 7 Jan 2019, In: ACS Sustainable Chemistry & Engineering. 7, 1, p. 611-617

    Research output: Contribution to journal › Journal article › Research › peer-review

  28. Published

    Comparison between the oxygen reduction reaction activity of Pd5Ce and Pt5Ce: the importance of crystal structure

    Tripkovic, V., Zheng, J., Rizzi, G. A., Marega, C., Durante, C., Rossmeisl, Jan & Granozzi, G., 2015, In: ACS Catalysis. 5, 10, p. 6032-6040 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  29. Published

    Complex‐Solid‐Solution Electrocatalyst Discovery by Computational Prediction and High‐Throughput Experimentation**

    Batchelor, T. A. A., Löffler, T., Xiao, B., Krysiak, O. A., Strotkötter, V., Pedersen, Jack Kirk, Clausen, C. M., Savan, A., Li, Y., Schuhmann, W., Rossmeisl, Jan & Ludwig, A., 22 Mar 2021, In: Angewandte Chemie International Edition. 60, 13, p. 6932-6937 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  30. Published

    Cooperative Effects Drive Water Oxidation Catalysis in Cobalt Electrocatalysts through the Destabilization of Intermediates

    Moss, B., Svane, Katrine Louise, Nieto-Castro, D., Rao, R. R., Scott, Søren Bertelsen, Tseng, C., Sachs, M., Pennathur, A., Liang, C., Oldham, L. I., Mazzolini, E., Jurado, L., Sankar, G., Parry, S., Celorrio, V., Dawlaty, J. M., Rossmeisl, Jan, Galán-Mascarós, J. R., Stephens, I. E. L. & Durrant, J. R., 2024, In: Journal of the American Chemical Society. 146, 13, p. 8915-8927 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  31. Published

    Correlation between diffusion barriers and alloying energy in binary alloys

    Vej-Hansen, U. G., Rossmeisl, Jan, Stephens, I. E. L. & Schiøtz, J., 2016, In: Physical Chemistry Chemical Physics. 18, 4, p. 3302-3307 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  32. Published

    Correlations between experiments and simulations for formic acid oxidation

    Bagger, A., Jensen, K. D., Rashedi, M., Du, J., Luo, R., Zhang, D., Pereira, I. J., Escudero Escribano, Maria, Arenz, Matthias & Rossmeisl, Jan, 2022, In: Chemical Science. 13, 45, p. 13409-13417 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  33. Published

    Defect Chemistry and Electrical Conductivity of Sm-Doped La1–xSrxCoO3−δ for Solid Oxide Fuel Cells

    Bjorketun, M. E., Castelli, I. E., Rossmeisl, Jan, Olsen, T., Ukai, K., Kato, M., Dennler, G. & Jacobsen, K. W., 2017, In: The Journal of Physical Chemistry Part C. 121, 28, p. 15017-15027 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  34. Published

    Efficient CO2 to CO electrolysis on solid Ni-N-C catalysts at industrial current densities

    Moeller, T., Ju, W., Bagger, A., Wang, X., Luo, F., Trung Ngo Thanh, Varela, A. S., Rossmeisl, Jan & Strasser, P., 2019, In: Energy & Environmental Science. 12, 2, p. 640-647

    Research output: Contribution to journal › Journal article › Research › peer-review

  35. Published

    Electrocatalytic transformation of HF impurity to H2 and LiF in lithium-ion batteries

    Strmcnik, D., Castelli, I. E., Connell, J. G., Haering, D., Zorko, M., Martins, P., Lopes, P. P., Genorio, B., Østergaard, T. M., Gasteiger, H. A., Maglia, F., Antonopoulos, B. K., Stamenkovic, V. R., Rossmeisl, Jan & Markovic, N. M., 2018, In: Nature Catalysis. 1, 4, p. 255-262 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  36. Published

    Electrochemical CO Reduction: A Property of the Electrochemical Interface

    Bagger, A., Arnarson, L., Hansen, M. H., Spohr, E. & Rossmeisl, Jan, 30 Jan 2019, In: Journal of the American Chemical Society. 141, 4, p. 1506-1514

    Research output: Contribution to journal › Journal article › Research › peer-review

  37. Published

    Electrochemical CO2 Reduction: Classifying Cu Facets

    Bagger, A., Ju, W., Sofia Varela, A., Strasser, P. & Rossmeisl, Jan, Sep 2019, In: ACS Catalysis. 9, 9, p. 7894-7899

    Research output: Contribution to journal › Journal article › Research › peer-review

  38. E-pub ahead of print

    Electrochemical CO2 Activation and Valorization on Metallic Copper and Carbon‐Embedded N‐Coordinated Single Metal MNC Catalysts

    Wang, X., Ju, W., Liang, L., Mohd, R., Bagger, A., Filippi, M., Rossmeisl, Jan & Strasser, P., 2024, (E-pub ahead of print) In: Angewandte Chemie International Edition. e202401821.

    Research output: Contribution to journal › Review › Research › peer-review

  39. Published

    Electrochemical CO2 Reduction: A Classification Problem

    Bagger, A., Ju, W., Sofia Varela, A., Strasser, P. & Rossmeisl, Jan, 2017, In: ChemPhysChem. 18, 22, p. 3266-3273 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  40. Published

    Electrochemical Interface during Corrosion of Copper in Anoxic Sulfide-Containing Groundwater—A Computational Study

    Stenlid, J. H., Dos Santos, E. C., Bagger, A., Johansson, A. J., Rossmeisl, Jan & Pettersson, L. G. M., 2020, In: The Journal of Physical Chemistry Part C. 124, 1, p. 469-481

    Research output: Contribution to journal › Journal article › Research › peer-review

  41. Published

    Electrochemical Nitric Oxide Reduction on Metal Surfaces

    Wan, H., Bagger, A. & Rossmeisl, Jan, 5 Aug 2021, In: Angewandte Chemie International Edition. 60, 40, p. 21966-21972 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  42. Published

    Electrochemical Reduction of CO2 on Metal-Nitrogen-Doped Carbon Catalysts

    Sofia Varela, A., Ju, W., Bagger, A., Franco, P., Rossmeisl, Jan & Strasser, P., Aug 2019, In: ACS Catalysis. 9, 8, p. 7270-7284

    Research output: Contribution to journal › Journal article › Research › peer-review

  43. Published

    Electrochemical Synthesis of High-Value Chemicals: Detection of Key Reaction Intermediates and Products Combining Gas Chromatography-Mass Spectrometry and in Situ Infrared Spectroscopy

    Davies, B. J. V., Arenz, Matthias, Rossmeisl, Jan & Escudero Escribano, Maria, 23 May 2019, In: Journal of Physical Chemistry C. 123, 20, p. 12762-12772

    Research output: Contribution to journal › Journal article › Research › peer-review

  44. Published

    Electrochemical Synthesis of Urea: Co-reduction of Nitric Oxide and Carbon Monoxide

    Wan, H., Wang, X., Tan, L., Filippi, M., Strasser, P., Rossmeisl, Jan & Bagger, A., 2023, In: ACS Catalysis. 13, 3, p. 1926-1933 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  45. Published

    Electrochemical carbonyl reduction on single-site M–N–C catalysts

    Ju, W., Bagger, A., Saharie, N. R., Möhle, S., Wang, J., Jaouen, F., Rossmeisl, Jan & Strasser, P., 2023, In: Communications Chemistry. 6, 1, 6 p., 212.

    Research output: Contribution to journal › Journal article › Research › peer-review

  46. Published

    Electrochemically Generated Copper Carbonyl for Selective Dimethyl Carbonate Synthesis

    Davies, B., Saric, M., Figueiredo, M., Schjødt, N., Dahl, S., Moses, P., Escudero Escribano, Maria, Arenz, Matthias & Rossmeisl, Jan, 2019, In: ACS Catalysis. 9, 2, p. 859-866 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  47. Published

    Elucidating the Reaction Pathway of Glucose Electrooxidation to Its Valuable Products: The Influence of Mass Transport and Electrode Potential on the Product Distribution

    Schlegel, N., Bagger, A., Rossmeisl, Jan & Arenz, Matthias, 2023, In: Journal of Physical Chemistry C. 127, 37, p. 18609-18618 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  48. Published

    Elucidation of the Oxygen Reduction Volcano in Alkaline Media using a Copper-Platinum(111) Alloy

    Jensen, K. D., Tymoczko, J., Rossmeisl, Jan, Bandarenka, A. S., Chorkendorff, I., Escudero Escribano, Maria & Stephens, I. E. L., 2018, In: Angewandte Chemie International Edition. 57, 11, p. 2800-2805 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  49. Enabling direct H2O2 production through rational electrocatalyst design

    Siahrostami, S., Verdaguer-Casadevall, A., Karamad, M., Deiana, D., Malacrida, P., Wickman, B., Escudero Escribano, Maria, Paoli, E. A., Frydendal, R., Hansen, T. W., Chorkendorff, I., Stephens, I. E. L. & Rossmeisl, Jan, 2013, In: Nature Materials. 12, p. 1137–1143 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  50. Published

    Engendering Unprecedented Activation of Oxygen Evolution via Rational Pinning of Ni Oxidation State in Prototypical Perovskite: Close Juxtaposition of Synthetic Approach and Theoretical Conception

    Pittkowski, Rebecca Katharina, Divanis, S., Klementova, M., Nebel, R., Nikman, S., Hoster, H., Mukerjee, S., Rossmeisl, Jan & Krtil, P., 15 Jan 2021, In: ACS Catalysis. 11, 2, p. 985-997 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  51. Published

    Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide over Defect-Rich Plasma-Activated Silver Catalysts

    Mistry, H., Choi, Y., Bagger, A., Scholten, F., Bonifacio, C. S., Sinev, I., Divins, N. J., Zegkinoglou, I., Jeon, H. S., Kisslinger, K., Stach, E. A., Yang, J. C., Rossmeisl, Jan & Cuenya, B. R., 2017, In: Angewandte Chemie International Edition. 56, 38, p. 11394-11398 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  52. Published

    Enhanced Oxygen Reduction Reaction on Fe/N/C Catalyst in Acetate Buffer Electrolyte

    Holst-Olesen, K., Silvioli, L., Rossmeisl, Jan & Arenz, Matthias, Apr 2019, In: ACS Catalysis. 9, 4, p. 3082-3089

    Research output: Contribution to journal › Journal article › Research › peer-review

  53. Published

    Exploring the Composition Space of High-Entropy Alloy Nanoparticles for the Electrocatalytic H-2/CO Oxidation with Bayesian Optimization

    Mints, V. A., Pedersen, Jack Kirk, Bagger, A., Quinson, J., Anker, Andy Sode, Jensen, Kirsten Marie Ørnsbjerg, Rossmeisl, Jan & Arenz, Matthias, 2022, In: ACS Catalysis. 12, 18, p. 11263-11271 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  54. Published

    Exploring the mobility of Cu in bimetallic nanocrystals to promote atomic-scale transformations under a reactive gas environment

    Mathiesen, J. K., Colding-Fagerholt, S., Jensen, K. D., Pedersen, Jack Kirk, Vosch, Tom, Rossmeisl, Jan, Helveg, S. & Jensen, Kirsten Marie Ørnsbjerg, 2023, In: Journal of Materials Chemistry A. 11, 17, p. 9654-9667 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  55. Published

    Finite bias calculations to model interface dipoles in electrochemical cells at the atomic scale

    Hansen, M. H., Jin, C., Thygesen, K. S. & Rossmeisl, Jan, 2016, In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter. 120, 25, p. 13485-13491 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  56. Published

    First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

    Tripkovic, V., Hansen, H. A., Rossmeisl, Jan & Vegge, T., 2015, In: Physical Chemistry Chemical Physics. 17, 17, p. 11647-11657 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  57. Published

    Following Paths of Maximum Catalytic Activity in the Composition Space of High-Entropy Alloys

    Plenge, Mads Kastrup, Pedersen, Jack Kirk, Mints, V. A. A., Arenz, Matthias & Rossmeisl, Jan, 2023, In: Advanced Energy Materials. 13, 2, 6 p., 2202962.

    Research output: Contribution to journal › Journal article › Research › peer-review

  58. Published

    Free energy difference to create the M-OH* intermediate of the oxygen evolution reaction by time-resolved optical spectroscopy

    Vinogradov, I., Singh, S., Lyle, H., Paolino, M., Mandal, A., Rossmeisl, Jan & Cuk, T., 2022, In: Nature Materials. 21, p. 88-94 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  59. Published

    Frontispiece: Active-Phase Formation and Stability of Gd/Pt(111) Electrocatalysts for Oxygen Reduction: An In Situ Grazing Incidence X-Ray Diffraction Study

    Escudero Escribano, Maria, Pedersen, A. F., Ulrikkeholm, E. T., Jensen, K. D., Hansen, M. H., Rossmeisl, Jan, Stephens, I. E. L. & Chorkendorff, I., 2018, In: Chemistry - A European Journal. 24, 47

    Research output: Contribution to journal › Journal article › Research › peer-review

  60. Published

    Frontispiece: Elucidation of the Oxygen Reduction Volcano in Alkaline Media using a Copper-Platinum(111) Alloy

    Jensen, K. D., Tymoczko, J., Rossmeisl, Jan, Bandarenka, A. S., Chorkendorff, I., Escudero Escribano, Maria & Stephens, I. E. L., 2018

    Research output: Other contribution › Research

  61. Published

    Fundamental limitation of electrocatalytic methane conversion to methanol

    Arnarson, L., Schmidt, P. S., Pandey, M., Bagger, A., Thygesen, K. S., Stephens, I. E. L. & Rossmeisl, Jan, 2018, In: Physical Chemistry Chemical Physics. 20, 16, p. 11152-11159 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  62. Published

    High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

    Pedersen, Jack Kirk, Batchelor, T. A. A., Bagger, A. & Rossmeisl, Jan, 2020, In: ACS Catalysis. 10, 3, p. 2169-2176

    Research output: Contribution to journal › Journal article › Research › peer-review

  63. Published

    High-Entropy Alloys as a Discovery Platform for Electrocatalysis

    Batchelor, T. A. A., Pedersen, Jack Kirk, Winther, S. H., Castelli, I. E., Jacobsen, K. W. & Rossmeisl, Jan, 2019, In: Joule. 3, 3, p. 834-845

    Research output: Contribution to journal › Journal article › Research › peer-review

  64. Published

    Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions

    Xi, J., Yang, S., Silvioli, L., Cao, S., Liu, P., Chen, Q., Zhao, Y., Sun, H., Hansen, J. N., Haraldsted, J. B., Kibsgaard, J., Rossmeisl, Jan, Bals, S., Wang, S. & Chorkendorff, I., 2021, In: Journal of Catalysis. 393, p. 313-323 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  65. Published

    Importance of Surface IrOx in Stabilizing RuO2 for Oxygen Evolution

    Escudero Escribano, Maria, Pedersen, A. F., Paoli, E. A., Frydendal, R., Friebel, D., Malacrida, P., Rossmeisl, Jan, Stephens, I. E. L. & Chorkendorff, I., 2018, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 122, 2, p. 947-955 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  66. Published

    Improved Electrocatalytic Selectivity and Activity for Ammonia Synthesis on Diporphyrin Catalysts

    Wan, H., Bagger, A. & Rossmeisl, Jan, 2022, In: Journal of Physical Chemistry C. 126, 39, p. 16636–16642 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  67. Published

    Influence of the Artificial Nanostructure on the LiF Formation at the Solid-Electrolyte Interphase of Carbon-Based Anodes

    Svane, Katrine Louise, Zimmer Lefmann, S., Schousboe Vilmann, M., Rossmeisl, Jan & Castelli, I. E., 25 Jan 2021, In: ACS Applied Energy Materials. 4, 1, p. 35-41 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  68. Published

    Insight into Selectivity Differences of Glycerol Electro-Oxidation on Pt(111) and Ag(111)

    Meng, Zhe, Tran, D., Hjelm, J., Kristoffersen, Henrik Høgh & Rossmeisl, Jan, 2024, In: ACS Catalysis. 14, 4, p. 2455-2462 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  69. Published

    Insights in the Oxygen Reduction Reaction: From Metallic Electrocatalysts to Diporphyrins

    Wan, H., Jensen, A. W., Escudero Escribano, Maria & Rossmeisl, Jan, 5 Jun 2020, In: ACS Catalysis. 10, 11, p. 5979-5989 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  70. Published

    Investigating the coverage dependent behaviour of CO on Gd/Pt(111)

    Ulrikkeholm, E. T., Hansen, M. H., Rossmeisl, Jan & Chorkendorff, I., 2016, In: Physical Chemistry Chemical Physics. 18, 43, p. 29732-29739 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  71. Published

    Lattice distortion releasing local surface strain on high-entropy alloys

    Clausen, C. M., Pedersen, Jack Kirk, Batchelor, T. A. A. & Rossmeisl, Jan, 2022, In: Nano Research. 15, p. 4775–4779

    Research output: Contribution to journal › Journal article › Research › peer-review

  72. Published

    Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO2(110) towards oxygen evolution reaction

    Divanis, S., Frandsen, A. M., Kutlusoy, T. & Rossmeisl, Jan, 2021, In: Physical Chemistry Chemical Physics. 23, 35, p. 19141-19145 5 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  73. Published

    Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules

    Giordano, L., Østergaard, T. M., Muy, S., Yu, Y., Charles, N., Kim, S., Zhang, Y., Maglia, F., Jung, R., Lund, I., Rossmeisl, Jan & Shao-horn, Y., 2019, In: Chemistry of Materials. 31, 15, p. 5464-5474

    Research output: Contribution to journal › Journal article › Research › peer-review

  74. Published

    Limitations of Electrochemical Nitrogen Oxidation toward Nitrate

    Wan, H., Bagger, A. & Rossmeisl, Jan, 21 Sep 2022, In: Journal of Physical Chemistry Letters. 13, 38, p. 8928−8934 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  75. Published

    Local Order in AgAuCuPdPt High-Entropy Alloy Surfaces

    Kristoffersen, Henrik Høgh & Rossmeisl, Jan, 2022, In: Journal of Physical Chemistry C. 126, 15, p. 6782-6790 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  76. Published

    Low-temperature non-equilibrium synthesis of anisotropic multimetallic nanosurface alloys for electrochemical CO2 reduction

    Koolen, C. D., Oveisi, E., Zhang, J., Li, M., Safonova, O. V., Pedersen, Jack Kirk, Rossmeisl, Jan, Luo, W. & Züttel, A., 2024, In: Nature Synthesis. 3, p. 47-57 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  77. Published

    Measuring the potential of zero charge

    Rossmeisl, Jan, 2023, In: Nature Materials. 22, 4, p. 419-420 2 p.

    Research output: Contribution to journal › Comment/debate › Research › peer-review

  78. Published

    Mechanistic reaction pathways of enhanced ethylene yields during electroreduction of CO2-CO co-feeds on Cu and Cu-tandem electrocatalysts

    Wang, X., de Araujo, J. F., Ju, W., Bagger, A., Schmies, H., Kuhl, S., Rossmeisl, Jan & Strasser, P., Nov 2019, In: Nature Nanotechnology. 14, 11, p. 1063–1070

    Research output: Contribution to journal › Journal article › Research › peer-review

  79. Published

    Modeling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys

    Petersen, Amanda Schramm, Jensen, K. D., Wan, H., Bagger, A., Chorkendorff, I., Stephens, I. E. L., Rossmeisl, Jan & Escudero Escribano, Maria, 2023, In: ACS Catalysis. 13, 4, p. 2735-2743 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  80. Published

    Modeling the active sites of Co-promoted MoS2 particles by DFT

    Šarić, M., Rossmeisl, Jan & Moses, P. G., 2017, In: Physical Chemistry Chemical Physics. 19, 3, p. 2017-2024 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  81. Published

    Modeling the adsorption of sulfur containing molecules and their hydrodesulfurization intermediates on the Co-promoted MoS2 catalyst by DFT

    Šarić, M., Rossmeisl, Jan & Moses, P. G., 2018, In: Journal of Catalysis. 358, p. 131-140 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  82. Published

    Modelling pH and potential in dynamic structures of the water/Pt(111) interface on the atomic scale

    Hansen, M. H., Nilsson, A. & Rossmeisl, Jan, 2017, In: Physical Chemistry Chemical Physics. 19, 34, p. 23505-23514 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  83. Published

    Morphology and mechanism of highly selective Cu(II) oxide nanosheet catalysts for carbon dioxide electroreduction

    Wang, X., Klingan, K., Klingenhof, M., Möller, T., Ferreira de Araújo, J., Martens, I., Bagger, A., Jiang, S., Rossmeisl, Jan, Dau, H. & Strasser, P., Dec 2021, In: Nature Communications. 12, 1, 12 p., 794.

    Research output: Contribution to journal › Journal article › Research › peer-review

  84. Published

    Multiple Reaction Paths for CO Oxidation on a 2D SnO x Nano‐Oxide on the Pt(110) Surface: Intrinsic Reactivity and Spillover

    Zheng, J., Busch, M., Artiglia, L., Skála, T., Rossmeisl, Jan & Agnoli, S., 2019, In: Advanced Materials Interfaces. 6, 6, p. 1-9 9 p., 1801874.

    Research output: Contribution to journal › Journal article › Research › peer-review

  85. Published

    Nanostructures for CO2Reduction: From Theoretical Insight to Material Design

    Ju, W., Bagger, A., Leonard, N., Wang, X., Rossmeisl, Jan & Strasser, P., 2021, Carbon Dioxide Electrochemistry: Homogeneous and Heterogeneous Catalysis. Robert, M., Costentin, C. & Daasbjerg, K. (eds.). 28 ed. Royal Society of Chemistry, p. 151-196 46 p. (RSC Energy and Environment Series; No. 28, Vol. 2021-January).

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  86. Published

    Near ambient N2 fixation on solid electrodes versus enzymes and homogeneous catalysts: [Inkl. Correction]

    Westhead, O., Barrio, J., Bagger, A., Murray, J. W., Rossmeisl, Jan, Titirici, M. M., Jervis, R., Fantuzzi, A., Ashley, A. & Stephens, I. E. L., 2023, In: Nature Reviews Chemistry. 7, p. 184-201 18 p.

    Research output: Contribution to journal › Review › Research › peer-review

  87. Published

    New Platinum Alloy Catalysts for Oxygen Electroreduction Based on Alkaline Earth Metals

    Vej-Hansen, U. G., Escudero Escribano, Maria, Velazquez-Palenzuela, A., Malacrida, P., Rossmeisl, Jan, Stephens, I. E. L., Chorkendorff, I. & Schiotz, J., 2017, In: Electrocatalysis. 8, 6, p. 594-604 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  88. Published

    On the pH dependence of electrochemical proton transfer barriers

    Rossmeisl, Jan, Chan, K., Skúlason, E., Björketun, M. E. & Tripkovic, V., 2016, In: Catalysis Today. 262, p. 36-40 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  89. Published

    On the thickness of the double layer in ionic liquids

    Ruzanov, A., Lembinen, M., Jakovits, P., Srirama, S. N., Voroshylova, I. V., Cordeiro, M. N. D. S., Pereira, C. M., Rossmeisl, Jan & Ivanistsev, V. B., 2018, In: Physical Chemistry Chemical Physics. 20, 15, p. 10275-10285 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  90. Published

    Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange

    Stoerzinger, K. A., Diaz-Morales, O., Kolb, M., Rao, R. R., Frydendal, R., Qiao, L., Wang, X. R., Halck, N. B., Rossmeisl, Jan, Hansen, H. A., Vegge, T., Stephens, I. E. L., Koper, M. T. M. & Shao-Horn, Y., 2017, In: ACS Energy Letters. 2, 4, p. 876-881 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  91. Published

    Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces

    Østergaard, T. M., Giordano, L., Castelli, I. E., Maglia, F., Antonopoulos, B. K., Shao-Horn, Y. & Rossmeisl, Jan, 2018, In: Journal of Physical Chemistry C. 122, 19, p. 10442-10449 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  92. Published

    Oxygen evolution reaction: a perspective on a decade of atomic scale simulations

    Divanis, S., Kutlusoy, T., Ingmer Boye, I. M., Man, I. C. & Rossmeisl, Jan, 2020, In: Chemical Science. 11, 11, p. 2943-2950

    Research output: Contribution to journal › Journal article › Research › peer-review

  93. Published

    Oxygen reduction reaction on Pt overlayers deposited onto a gold film: ligand, strain, and ensemble effect

    Deng, Y., Tripkovic, V., Rossmeisl, Jan & Arenz, Matthias, 2016, In: ACS Catalysis. 6, 2, p. 671-676 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  94. Published

    P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction: [Inkl. Correction]

    Luo, F., Roy, A., Silvioli, L., Cullen, D. A., Zitolo, A., Sougrati, M. T., Oguz, I. C., Mineva, T., Teschner, D., Wagner, S., Wen, J., Dionigi, F., Kramm, U. I., Rossmeisl, Jan, Jaouen, F. & Strasser, P., 2020, In: Nature Materials. 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  95. Published

    Predicting catalytic activity in hydrogen evolution reaction

    Østergaard, Frederik Cornelius, Bagger, A. & Rossmeisl, Jan, 2022, In: Current Opinion in Electrochemistry. 35, 10 p., 101037.

    Research output: Contribution to journal › Review › Research › peer-review

  96. Published

    Probing the nanoscale structure of the catalytically active overlayer on Pt alloys with rare earths

    Pedersen, A. F., Ulrikkeholm, E. T., Escudero Escribano, Maria, Johansson, T. P., Malacrida, P., Pedersen, C. M., Hansen, M. H., Jensen, K. D., Rossmeisl, Jan, Friebel, D., Nilsson, A., Chorkendorff, I. & Stephens, I. E. L., 2016, In: Nano Energy. 29, p. 249-260 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  97. Published

    Pt-Sn-Co nanocubes as highly active catalysts for ethanol electro-oxidation

    Rizo, R., Bergmann, A., Timoshenko, J., Scholten, F., Rettenmaier, C., Jeon, H. S., Chen, Y., Yoon, A., Bagger, A., Rossmeisl, Jan & Roldan Cuenya, B., 1 Jan 2021, In: Journal of Catalysis. 393, p. 247-258 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  98. Published

    Pt5Gd as a Highly Active and Stable Catalyst for Oxygen Electroreduction

    Escudero Escribano, Maria, Verdaguer-Casadevall, A., Malacrida, P., Gronbjerg, U., Knudsen, B. P., Jepsen, A. K., Rossmeisl, Jan, Stephens, I. E. L. & Chorkendorff, I., 2012, In: Journal of the American Chemical Society. 134, 40, p. 16476-16479 4 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  99. Published

    Rational Catalyst Design for Higher Propene Partial Electro-oxidation Activity by Alloying Pd with Au

    Silvioli, L., Winiwarter, A., Scott, S. B., Castelli, I. E., Moses, P. G., Chorkendorff, I., Seger, B. & Rossmeisl, Jan, 2022, In: Journal of Physical Chemistry C. 126, 34, p. 14487–14499 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  100. Published

    Rationality in the new oxygen evolution catalyst development

    Pittkowski, R., Krtil, P. & Rossmeisl, Jan, 2018, In: Current Opinion in Electrochemistry. 12, p. 218-224 7 p.

    Research output: Contribution to journal › Review › Research › peer-review

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