Nature Communications (Jul 2021)

Crystal and electronic facet analysis of ultrafine Ni2P particles by solid-state NMR nanocrystallography

  • Wassilios Papawassiliou,
  • José P. Carvalho,
  • Nikolaos Panopoulos,
  • Yasser Al Wahedi,
  • Vijay Kumar Shankarayya Wadi,
  • Xinnan Lu,
  • Kyriaki Polychronopoulou,
  • Jin Bae Lee,
  • Sanggil Lee,
  • Chang Yeon Kim,
  • Hae Jin Kim,
  • Marios Katsiotis,
  • Vasileios Tzitzios,
  • Marina Karagianni,
  • Michael Fardis,
  • Georgios Papavassiliou,
  • Andrew J. Pell

Journal volume & issue
Vol. 12, no. 1
pp. 1 – 11


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Structural and morphological control of crystalline nanoparticles is crucial in heterogeneous catalysis. Applying DFT-assisted solid-state NMR spectroscopy, we determine the surface crystal and electronic structure of Ni2P nanoparticles, unveiling NMR nanocrystallography as an emerging tool in facet-engineered nanocatalysts.