DFT-assisted structure determination of α1- and α2-VOPO4: new insights into the understanding of the catalytic performances of vanadium phosphates

Romain Gautier, Régis Gautier, Olivier Hernandez, Nathalie Audebrand, Thierry Bataille, Claire Roiland, Erik Elkaïm, Laurent Le Pollès, Eric Furet, Eric Le Fur
  • Dalton Transactions, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3dt50217a