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Ish: Interfacial atomic Ni tetragon intercalation in a NiO<sub>2</sub>-to-Pd hetero-structure triggers superior HER activity to the Pt catalyst

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Maqola199664 iqtibos
    ABI

  3. Projector augmented-wave method

    Peter E. Blöchl

    Maqola199442 iqtibos
    ABI

  4. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Maqola199633 iqtibos
    ABI

  5. A climbing image nudged elastic band method for finding saddle points and minimum energy paths

    Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

    Maqola200021 iqtibos
    ABI

  6. <i>Ab initio</i>molecular dynamics for liquid metals

    Georg Kresse, J. Häfner

    Maqola199317 iqtibos
    ABI

  7. A fast and robust algorithm for Bader decomposition of charge density

    Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

    Maqola200512 iqtibos
    ABI

  8. Double-slit photoelectron interference in strong-field ionization of the neon dimer

    M. Kunitski, Nicolas Eicke, P. Huber +13

    Maqola20199 iqtibos
    ABI

  9. Electronic factors determining the reactivity of metal surfaces

    Bjørk Hammer, Jens K. Nørskov

    Maqola19959 iqtibos
    ABI

  10. Trends in the Exchange Current for Hydrogen Evolution

    Jens K. Nørskov, Thomas Bligaard, Á. Logadóttir +4

    Maqola20059 iqtibos
    ABI

  11. Double-slit photoelectron interference in strong-field ionization of the neon dimer

    Maksim Kunitski, Nicolas Eicke, Pia Huber +13

    Maqola20188 iqtibos
    ABI

  12. Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

    Peter Strasser, Shirlaine Koh, Toyli Anniyev +9

    Maqola20108 iqtibos
    ABI

  13. Atoms in molecules : a quantum theory

    Richard F. W. Bader

    Kitob19906 iqtibos
    ABI

  14. Atomic scale Pt decoration promises oxygen reduction properties of Co@Pd nanocatalysts in alkaline electrolytes for 310k redox cycles

    Yu Zhuang, Jyh‐Pin Chou, Hsin‐Yi Tiffany Chen +4

    MaqolaElectrocatalysts for Energy ConversionSustainable Energy & Fuels20175 iqtibos
    ABI

  15. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

    Andrew J. Medford, Aleksandra Vojvodić, Jens S. Hummelshøj +6

    Maqola20155 iqtibos
    ABI

  16. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

    Graeme Henkelman, Hannes Jónsson

    Maqola20005 iqtibos
    ABI

  17. Generalized gradient approximation for the exchange-correlation hole of a many-electron system

    John P. Perdew, Kieron Burke, Yue Wang

    Maqola19965 iqtibos
    ABI

  18. Sustainable Hydrogen Production

    John A. Turner

    Maqola20044 iqtibos
    ABI

  19. Theoretical surface science and catalysis—calculations and concepts

    Bjørk Hammer, Jens K. Nørskov

    Bob20004 iqtibos
    ABI

  20. Work function-tailored graphene <i>via</i> transition metal encapsulation as a highly active and durable catalyst for the oxygen reduction reaction

    Monika Sharma, Jue‐Hyuk Jang, Dong Yun Shin +10

    Maqola20194 iqtibos
    ABI

  21. Surface electronic structure and reactivity of transition and noble metals1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1

    A. V. Ruban, Bjørk Hammer, P. Stoltze +2

    Maqola19973 iqtibos
    ABI

  22. Thermodynamic Guidelines for the Design of Bimetallic Catalysts for Oxygen Electroreduction and Rapid Screening by Scanning Electrochemical Microscopy. M−Co (M:  Pd, Ag, Au)

    José L. Fernández, Darren A. Walsh, Allen J. Bard

    Maqola20043 iqtibos
    ABI

  23. Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals

    John R. Kitchin, Jens K. Nørskov, Mark A. Barteau +1

    Maqola20043 iqtibos
    ABI

  24. Alloy catalysts designed from first principles

    Jeff Greeley, Manos Mavrikakis

    Maqola20043 iqtibos
    ABI

  25. What Are Batteries, Fuel Cells, and Supercapacitors?

    Martin Winter, Ralph J. Brodd

    Sharh maqola20043 iqtibos
    ABI