Universal properties of metal-supported oxide films from linear scaling relationships: elucidation of mechanistic origins of strong metal–support interactions

Abstract

The properties of ultrathin (1-2 monolayer) (hydroxy)oxide films on transition metal substrates have been extensively studied as models of the celebrated Strong Metal-Support Interaction (SMSI) and related phenomena. However, results...

Tunable properties and composition of ZnO films supported on metal surfaces

“…For comprehensiveness, we also consider the binding strength of OH species on ZnO films, which is relevant for their hydroxylation 99–101 and transformation in ZnO x H y films under certain conditions (Table S10†). 11 Although all considered metals stabilize OH on supported ZnO films compared to pristine ZnO, the magnitude of stabilization varies by more than 1.2 eV and does not correlate with the metal position in the periodic table. The strongest binding of OH is calculated on ZnO/Sn and ZnO/Pb models followed by ZnO/Ru.…”

“…Similarly to previous studies, the atomic structures of ZnO lm on metal surfaces were designed through lattice matching minimizing the strain generated on the interface. 9,11,45,[80][81][82][83] In this study, the strain was applied to the oxide lm whose lattice parameters were adjusted to match the lattice parameters of the unstrained metal support. To nd the combination that minimizes the deformation of the lm, we wrote a python code that scanned all surface lattice transformation matrices with elements in the range of [−9, 9].…”

“…9,10 Some catalysts may also develop oxide films grown on the metal phase under reaction conditions through hydroxylation or overlayer formation mechanisms 11 leading to strong metal–support interaction phenomena, which profoundly change the activity of the catalysts. 11–13…”

“…8 For example, metal supports can stabilize (hydroxy)oxide lms with uncommon stoichiometries under electrochemical conditions and increase their activity in the hydrogen evolution reaction. 9,10 Some catalysts may also develop oxide lms grown on the metal phase under reaction conditions through hydroxylation or overlayer formation mechanisms 11 leading to strong metal-support interaction phenomena, which profoundly change the activity of the catalysts. [11][12][13] Among numerous oxides, ZnO has been intensely studied due to its applications in optical, 14 piezoelectric, 15 and sensing devices.…”

“…9,10 Some catalysts may also develop oxide lms grown on the metal phase under reaction conditions through hydroxylation or overlayer formation mechanisms 11 leading to strong metal-support interaction phenomena, which profoundly change the activity of the catalysts. [11][12][13] Among numerous oxides, ZnO has been intensely studied due to its applications in optical, 14 piezoelectric, 15 and sensing devices. 16 Moreover, ZnO nanostructures can be easily synthesized and integrated with other semiconductors.…”