Towards the operational window for nitridic and carbidic palladium nanoparticles for directed catalysis

Lucy G Costley-Wood, Khaled Mohammed, Marina Carravetta, Donato Decarolis, Alexandre Goguet, Apostolos Kordatos, Reza Vakili, Haresh Manyar, Erin McPake, Chris-Kriton Skylaris, Paul Thompson, Emma K Gibson, Peter Wells

Research output: Contribution to journalArticlepeer-review


The reactions under which interstitial structures of Pd form are profoundly important and prevalent in catalysis; the formation and stability of Pd hydride structures are well understood, however, interstitial structures of the carbide and nitride are relatively under explored. This work reports a systematic study of the formation and stability of PdCx and PdNx at elevated temperatures and different atmospheres using in situ Pd L3 edge XANES spectroscopy. These studies were further complemented by the application of 14N MAS‐NMR experiments and computational DFT investigations. The experiments confirmed that PdCx was significantly more stable than PdNx; 14N MAS‐NMR provided direct confirmation on the formation of the nitride, however, the XANES studies evidenced very limited stability under the conditions employed. Moreover, the results suggest that the formation of the nitride imparts some structural changes that are not entirely reversible under the conditions used in these experiments. This work provides important insights into the stability of interstitial structures of Pd and the conditions in which they could be employed for directed catalytic processes.
Original languageEnglish
Number of pages10
Early online date07 Sept 2023
Publication statusPublished - 07 Sept 2023


  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Catalysis


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