Periodic DFT+ D Molecular Modeling of the Zn-MOF-5 (100)/(110) TiO2 Interface: Electronic Structure, Chemical Bonding, Adhesion and Strain

F. Zasada, W. Piskorz, J. Gryboś, and Z. Sojka, J. Phys. Chem. C 118, 8971 (2014).