Article pubs.acs.org/JPCC
Tuning the Charge State of (WO3)3 Nanoclusters Deposited on MgO/ Ag(001) Films Jia Zhu,† Livia Giordano,‡ Shujuan Lin,† Zhenxing Fang,† Yi Li,† Xin Huang,† Yongfan Zhang,†,§,* and Gianfranco Pacchioni‡,* †
Department of Chemistry, Fuzhou University, Fuzhou, Fujian, 350108, China Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via Cozzi, 53 - 20125 Milano, Italy § Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian, 361005, China ‡
ABSTRACT: The electronic properties of tungsten oxide (WO3)3 nanoclusters deposited on epitaxial MgO films grown on Ag(001) can be tuned and modified simply by changing the thickness of the oxide film. In particular, we show, on the basis of first principle molecular dynamics calculations, that (WO3)3 clusters on ultrathin (
