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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

    Maqola1996196 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199679 iqtibos
    ABI

  3. Projector augmented-wave method

    Peter E. Blöchl

    Maqola199449 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199638 iqtibos
    ABI

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

    Georg Kresse, J. Häfner

    Maqola199325 iqtibos
    ABI

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

    Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

    Maqola200023 iqtibos
    ABI

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

    Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

    Maqola200514 iqtibos
    ABI

  8. Trends in the Exchange Current for Hydrogen Evolution

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

    MaqolaOchiq kirish200512 iqtibos
    ABI

  9. Electronic factors determining the reactivity of metal surfaces

    Bjørk Hammer, Jens K. Nørskov

    Maqola199510 iqtibos
    ABI

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

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

    Maqola20199 iqtibos
    ABI

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

    Maksim Kunitski, Nicolas Eicke, Pia Huber +13

    MaqolaOchiq kirish20188 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

    Kitob19907 iqtibos
    ABI

  14. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution

    Jeff Greeley, Thomas F. Jaramillo, Jacob Bonde +2

    Maqola20067 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

    MaqolaOchiq kirish20156 iqtibos
    ABI

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

    John P. Perdew, Kieron Burke, Yue Wang

    MaqolaOchiq kirish19966 iqtibos
    ABI

  17. Combining theory and experiment in electrocatalysis: Insights into materials design

    Zhi Wei Seh, Jakob Kibsgaard, Colin F. Dickens +3

    Sharh maqolaOchiq kirish20176 iqtibos
    ABI

  18. 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

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

    Graeme Henkelman, Hannes Jónsson

    Maqola20005 iqtibos
    ABI

  20. Sustainable Hydrogen Production

    John A. Turner

    Maqola20044 iqtibos
    ABI

  21. Theoretical surface science and catalysis—calculations and concepts

    Bjørk Hammer, Jens K. Nørskov

    Bob20004 iqtibos
    ABI

  22. 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

  23. 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

  24. 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

    MaqolaOchiq kirish20043 iqtibos
    ABI

  25. 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

    MaqolaOchiq kirish20043 iqtibos
    ABI