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Where does Hydrogen Adsorb on Ru Nanoparticles? A Powerful Joint 2 H MAS‐NMR/DFT Approach
Author(s) -
Truflandier Lionel A.,
Del Rosal Iker,
Chaudret Bruno,
Poteau Romuald,
Gerber Iann C.
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900597
Subject(s) - adsorption , coupling constant , quadrupole , nanoparticle , chemistry , computational chemistry , materials science , physics , nanotechnology , atomic physics , quantum mechanics
Two perspectives: DFT calculations of quadrupole coupling constants of hydrides adsorbed on a pristine Ru(0001) surface allow for secure assignments of subspectra obtained from experimental 2 H solid‐state NMR data (see picture).