The Experts below are selected from a list of 6060 Experts worldwide ranked by ideXlab platform
Sten Lunell - One of the best experts on this subject based on the ideXlab platform.
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adsorption of bi Isonicotinic Acid on rutile tio2 110
Journal of Chemical Physics, 1999Co-Authors: L Patthey, Hans Siegbahn, Haakan Rensmo, Petter Persson, Karin Westermark, Lionel Vayssieres, Arvids Stashans, A Petersson, P A Bruhwiler, Sten LunellAbstract:Bi-Isonicotinic Acid ~2,28-bipyridine–4,48-dicarboxylic Acid! is the ligand of several organometallic dyes, used in photoelectrochemical applications. Therefore the atomic scale understanding of the bonding of this molecule to rutile TiO2(110) should give insight into the crucial dye–surface interaction. High resolution x-ray photoelectron spectroscopy ~XPS!, near edge x-ray absorption fine structure ~NEXAFS!, and periodic intermediate neglect of differential overlap ~INDO! calculations were carried out on submonolayer bi-Isonicotinic Acid rutile TiO2(110). Data from multilayers is also presented to support the submonolayer results. For a multilayer, XPS shows that the carboxyl groups remain in the ~pristine! protonated form, and NEXAFS show that the molecular plane is tilted by 57° with respect to the surface normal. For the submonolayer, the molecule bonds to the rutile TiO2(110) surface via both deprotonated carboxyl groups, with a tilt angle of 25°, and additionally an azimuthal orientation of 44° with respect to the @001# crystallographic direction. The adsorbant system was also investigated by quantum mechanical calculations using a periodic INDO model. The most stable theoretical adsorption geometry involves a twist around the molecular axis, such that the pyridine rings are tilted in opposite directions. Both oxygen atoms of each carboxyl group are bonded to five-fold coordinated Ti atoms ~2M-bidentate!, in excellent agreement with the experimental results.
Vin Dhanak - One of the best experts on this subject based on the ideXlab platform.
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molecular ordering in Isonicotinic Acid on rutile tio2 110 investigated with valence band photoemission
Journal of Chemical Physics, 2004Co-Authors: James N. O'shea, Janine C. Swarbrick, Katharina Nilson, Carla Puglia, Barbara Brena, Yi Luo, Vin DhanakAbstract:The adsorption of Isonicotinic Acid on rutile TiO2(110) has been investigated using synchrotron-based valence band photoemission. Structural ordering in multilayer films of the molecules is found t ...
Hans Siegbahn - One of the best experts on this subject based on the ideXlab platform.
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Adsorption and charge transfer study of bi-Isonicotinic Acid on in situ grown anatase TiO2 nanoparticles
The Journal of Physical Chemistry B, 2004Co-Authors: Joachim Schnadt, Anders Henningsson, Martin Andersson, Patrik G. Karlsson, Per Uvdal, Hans Siegbahn, Paul A. Brühwiler, Anders SandellAbstract:Adsorption and charge transfer study of bi-Isonicotinic Acid on in situ grown anatase TiO2 nanoparticles
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adsorption of bi Isonicotinic Acid on rutile tio2 110
Journal of Chemical Physics, 1999Co-Authors: L Patthey, Hans Siegbahn, Haakan Rensmo, Petter Persson, Karin Westermark, Lionel Vayssieres, Arvids Stashans, A Petersson, P A Bruhwiler, Sten LunellAbstract:Bi-Isonicotinic Acid ~2,28-bipyridine–4,48-dicarboxylic Acid! is the ligand of several organometallic dyes, used in photoelectrochemical applications. Therefore the atomic scale understanding of the bonding of this molecule to rutile TiO2(110) should give insight into the crucial dye–surface interaction. High resolution x-ray photoelectron spectroscopy ~XPS!, near edge x-ray absorption fine structure ~NEXAFS!, and periodic intermediate neglect of differential overlap ~INDO! calculations were carried out on submonolayer bi-Isonicotinic Acid rutile TiO2(110). Data from multilayers is also presented to support the submonolayer results. For a multilayer, XPS shows that the carboxyl groups remain in the ~pristine! protonated form, and NEXAFS show that the molecular plane is tilted by 57° with respect to the surface normal. For the submonolayer, the molecule bonds to the rutile TiO2(110) surface via both deprotonated carboxyl groups, with a tilt angle of 25°, and additionally an azimuthal orientation of 44° with respect to the @001# crystallographic direction. The adsorbant system was also investigated by quantum mechanical calculations using a periodic INDO model. The most stable theoretical adsorption geometry involves a twist around the molecular axis, such that the pyridine rings are tilted in opposite directions. Both oxygen atoms of each carboxyl group are bonded to five-fold coordinated Ti atoms ~2M-bidentate!, in excellent agreement with the experimental results.
James N. O'shea - One of the best experts on this subject based on the ideXlab platform.
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Molecular damage in bi-Isonicotinic Acid adsorbed on rutile TiO2(110)
Surface Science, 2008Co-Authors: James N. O'shea, J. Ben Taylor, Louise C. Mayor, Janine C. Swarbrick, Joachim SchnadtAbstract:Here we present the characteristic signatures in X-ray absorption and photoemission spectroscopy for molecular damage in adsorbed monolayers of bi-Isonicotinic Acid on a rutile TiO2(1 1 0) surface. Bi-Isonicotinic Acid is the anchor ligand through which many important inorganic complexes are bound to the surface of TiO2 in dye-sensitized solar cells. The nature of the damage caused by excessive heating of the adsorbed monolayer is consistent with splitting the molecule into two adsorbed Isonicotinic Acid molecular fragments. The effect on the lowest unoccupied molecular orbitals (involved in electron transfer in the molecule) can be understood in terms of the adsorption geometry of the reaction products and their nearest neighbor interactions.
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molecular ordering in Isonicotinic Acid on rutile tio2 110 investigated with valence band photoemission
Journal of Chemical Physics, 2004Co-Authors: James N. O'shea, Janine C. Swarbrick, Katharina Nilson, Carla Puglia, Barbara Brena, Yi Luo, Vin DhanakAbstract:The adsorption of Isonicotinic Acid on rutile TiO2(110) has been investigated using synchrotron-based valence band photoemission. Structural ordering in multilayer films of the molecules is found t ...
L Patthey - One of the best experts on this subject based on the ideXlab platform.
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adsorption of bi Isonicotinic Acid on rutile tio2 110
Journal of Chemical Physics, 1999Co-Authors: L Patthey, Hans Siegbahn, Haakan Rensmo, Petter Persson, Karin Westermark, Lionel Vayssieres, Arvids Stashans, A Petersson, P A Bruhwiler, Sten LunellAbstract:Bi-Isonicotinic Acid ~2,28-bipyridine–4,48-dicarboxylic Acid! is the ligand of several organometallic dyes, used in photoelectrochemical applications. Therefore the atomic scale understanding of the bonding of this molecule to rutile TiO2(110) should give insight into the crucial dye–surface interaction. High resolution x-ray photoelectron spectroscopy ~XPS!, near edge x-ray absorption fine structure ~NEXAFS!, and periodic intermediate neglect of differential overlap ~INDO! calculations were carried out on submonolayer bi-Isonicotinic Acid rutile TiO2(110). Data from multilayers is also presented to support the submonolayer results. For a multilayer, XPS shows that the carboxyl groups remain in the ~pristine! protonated form, and NEXAFS show that the molecular plane is tilted by 57° with respect to the surface normal. For the submonolayer, the molecule bonds to the rutile TiO2(110) surface via both deprotonated carboxyl groups, with a tilt angle of 25°, and additionally an azimuthal orientation of 44° with respect to the @001# crystallographic direction. The adsorbant system was also investigated by quantum mechanical calculations using a periodic INDO model. The most stable theoretical adsorption geometry involves a twist around the molecular axis, such that the pyridine rings are tilted in opposite directions. Both oxygen atoms of each carboxyl group are bonded to five-fold coordinated Ti atoms ~2M-bidentate!, in excellent agreement with the experimental results.
