GPAW: An open Python package for electronic structure calculations.

Autor: Mortensen JJ; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Larsen AH; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Kuisma M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Ivanov AV; Riverlane Ltd., St Andrews House, 59 St Andrews Street, Cambridge CB2 3BZ, United Kingdom., Taghizadeh A; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Peterson A; School of Engineering, Brown University, Providence, Rhode Island 02912, USA., Haldar A; Department of Electrical and Computer Engineering, Boston University, Boston, Massachusetts 02215, USA., Dohn AO; Department of Physics, Technical University of Denmark, 2800 Lyngby, Denmark and Science Institute and Faculty of Physical Sciences, VR-III, University of Iceland, Reykjavík 107, Iceland., Schäfer C; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden., Jónsson EÖ; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland., Hermes ED; Quantum-Si, 29 Business Park Drive, Branford, Connecticut 06405, USA., Nilsson FA; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Kastlunger G; CatTheory, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Levi G; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland., Jónsson H; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland., Häkkinen H; Departments of Physics and Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland., Fojt J; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden., Kangsabanik J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Sødequist J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Lehtomäki J; Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Finland., Heske J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Enkovaara J; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland., Winther KT; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA., Dulak M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Melander MM; Department of Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland., Ovesen M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Louhivuori M; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland., Walter M; FIT Freiburg Centre for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany., Gjerding M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Lopez-Acevedo O; Biophysics of Tropical Diseases, Max Planck Tandem Group, University of Antioquia UdeA, 050010 Medellin, Colombia., Erhart P; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden., Warmbier R; School of Physics and Mandelstam Institute for Theoretical Physics, University of the Witwatersrand, 1 Jan Smuts Avenue, 2001 Johannesburg, South Africa., Würdemann R; Freiburger Materialforschungszentrum, Universität Freiburg, Stefan-Meier-Straße 21, D-79104 Freiburg, Germany., Kaappa S; Computational Physics Laboratory, Tampere University, P.O. Box 692, FI-33014 Tampere, Finland., Latini S; Nanomade, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Boland TM; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Bligaard T; Department of Energy Conversion and Storage, Technical University of Denmark, DK-2800 Lyngby, Denmark., Skovhus T; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Susi T; Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria., Maxson T; Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, Alabama 35487, USA., Rossi T; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland., Chen X; School of Physical Science and Technology, Lanzhou University, Lanzhou, Gansu 730000, China., Schmerwitz YLA; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland., Schiøtz J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Olsen T; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Jacobsen KW; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark., Thygesen KS; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2024 Mar 07; Vol. 160 (9).

Rate Control and Reaction Engineering

Autor: Nørskov, J. K., Bligaard, T., Kleis, J.

Publikováno v: Science, 2009 Jun . 324(5935), 1655-1656.

Externí odkaz: https://www.jstor.org/stable/20536489

Chapter 8 Understanding Heterogeneous Catalysis from the Fundamentals

Autor: Bligaard, T., Nørskov, J.K., Lundqvist, B.I.

Publikováno v: In Handbook of Surface Science 2008 3:269-340

Ligand effects in heterogeneous catalysis and electrochemistry

Autor: Bligaard, T., Nørskov, J.K.

Publikováno v: In Electrochimica Acta 2007 52(18):5512-5516

The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis

Autor: Bligaard, T., Nørskov, J.K., Dahl, S., Matthiesen, J., Christensen, C.H., Sehested, J.

Publikováno v: In Journal of Catalysis 2004 224(1):206-217