Search results for "Ferroélectricité"

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Water splitting through model surfaces of metal oxides : ferroelectric polarization towards water adsorption processes

2019

The properties of out-of-plane polarized BaTiO3(001) thin films were investigated from first-principles calculations and photoemission spectroscopy. Firstly, density functional theory calculations (DFT) were used to unravel the nature of the Pt(001)/BaTiO3(001) interface. In particular, the influence of the substrate on the ferroelectric properties of the BaTiO3 overlayer has been studied. Among the results, it can be pointed that platinum tends to increase the ferroelectric domain size of BaTiO3.Then, the adsorption of water on BaTiO3 was described by means of DFT calculations. The impact of the polarization as well as the influence of the nature of the surface termination on water adsorpt…

HétérojonctionFerroelectricityBaTiO3[CHIM.OTHE] Chemical Sciences/OtherPhotoélectrolyseHeterojunctionWater splittingFerroélectricité[CHIM.OTHE]Chemical Sciences/OtherNap-XpsDft

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