We investigate nanorod assemblies of two 64-substituted pentacenes, namely （2,3-X2-9,10-Y2）-substituted pentacenes with X -- Y = OCH3 （MOP） and with X = F, Y-- OCH3 （MOPF）, grown on Au（111） single crystals. By...We investigate nanorod assemblies of two 64-substituted pentacenes, namely （2,3-X2-9,10-Y2）-substituted pentacenes with X -- Y = OCH3 （MOP） and with X = F, Y-- OCH3 （MOPF）, grown on Au（111） single crystals. By using a multi-technique approach based on ultraviolet photoelectron spectroscopy X-ray photoelectron spectroscopy; and X-ray absorption, we find evidence for charge transfer screening at the interface with gold. Furthermore, the MOP and MOPF nanorods show a rough surface morphology, which was investigated with atomic force microscopy. We use molecular simulation techniques to investigate the energetic barriers to diffusion and to traverse step-edges to estimate their influence on the nanorod roughness. We find that barriers to surface diffusion on a terrace are anisotropic and that their direction favors the formation of nanorods in these materials.展开更多
Metal-free organic radicals are fascinating materials owing to their unique properties. Having a stable magnetic moment coupled to light elements makes these materials central to develop a large variety of application...Metal-free organic radicals are fascinating materials owing to their unique properties. Having a stable magnetic moment coupled to light elements makes these materials central to develop a large variety of applications. We investigated the magnetic spinterface coupling between the surface of a single rutile TiO2（110） crystal and a pyrene-based nitronyl nitroxide radical, using a combination of thickness-dependent X-ray photoelectron spectroscopy and ab initio calculations. The radicals were physisorbed, and their magnetic character was preserved on the （almost） ideal surface. The situation changed completely when the molecules interacted with a surface defect site upon adsorption. In this case, the reactivity of the defect site led to the quenching of the molecular magnetic moment. Our work elucidates the crucial role played by the surface defects and demonstrates that photoemission spectroscopy combined with density functional theory calculations can be used to shed light on the mechanisms governing complex interfaces, such as those between magnetic molecules and metal oxides.展开更多
文摘We investigate nanorod assemblies of two 64-substituted pentacenes, namely （2,3-X2-9,10-Y2）-substituted pentacenes with X -- Y = OCH3 （MOP） and with X = F, Y-- OCH3 （MOPF）, grown on Au（111） single crystals. By using a multi-technique approach based on ultraviolet photoelectron spectroscopy X-ray photoelectron spectroscopy; and X-ray absorption, we find evidence for charge transfer screening at the interface with gold. Furthermore, the MOP and MOPF nanorods show a rough surface morphology, which was investigated with atomic force microscopy. We use molecular simulation techniques to investigate the energetic barriers to diffusion and to traverse step-edges to estimate their influence on the nanorod roughness. We find that barriers to surface diffusion on a terrace are anisotropic and that their direction favors the formation of nanorods in these materials.
文摘Metal-free organic radicals are fascinating materials owing to their unique properties. Having a stable magnetic moment coupled to light elements makes these materials central to develop a large variety of applications. We investigated the magnetic spinterface coupling between the surface of a single rutile TiO2（110） crystal and a pyrene-based nitronyl nitroxide radical, using a combination of thickness-dependent X-ray photoelectron spectroscopy and ab initio calculations. The radicals were physisorbed, and their magnetic character was preserved on the （almost） ideal surface. The situation changed completely when the molecules interacted with a surface defect site upon adsorption. In this case, the reactivity of the defect site led to the quenching of the molecular magnetic moment. Our work elucidates the crucial role played by the surface defects and demonstrates that photoemission spectroscopy combined with density functional theory calculations can be used to shed light on the mechanisms governing complex interfaces, such as those between magnetic molecules and metal oxides.
