Real-Time Observation of Surface Bond Breaking with an X-ray Laser.

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Title: Real-Time Observation of Surface Bond Breaking with an X-ray Laser.
Authors: Dell'Angela, M., Anniyev, T., Beye, M., Coffee, R., Föhlisch, A., Gladh, J., Katayama, T., Kaya, S., Krupin, O., LaRue, J., Møgelhøj, A., Nordlund, D., Nørskov, J. K., Öberg, H., Ogasawara, H., Öström, H., Pettersson, L. G. M., Schlotter, W. F., Sellberg, J. A., Sorgenfrei, F.
Source: Science (pre-March 2025). 3/15/2013, Vol. 339 Issue 6125, p1302-1305. 4p.
Subjects: X-ray lasers, Carbon monoxide, Chemisorption, Electronic structure, Femtosecond lasers, Intermolecular forces, Free energy (Thermodynamics), Density functional theory, Van der Waals forces
Abstract: We used the Linac Coherent Light Source free-electron x-ray laser to probe the electronic structure of CO molecules as their chemisorption state on Ru(0001) changes upon exciting the substrate by using a femtosecond optical laser pulse. We observed electronic structure changes that are consistent with a weakening of the CO interaction with the substrate but without notable desorption. A large fraction of the molecules (30%) was trapped in a transient precursor state that would precede desorption. We calculated the free energy of the molecule as a function of the desorption reaction coordinate using density functional theory, including van der Waals interactions. Two distinct adsorption wells--chemisorbed and precursor state separated by an entropy barrier--explain the anomalously high prefactors often observed in desorption of molecules from metals. [ABSTRACT FROM AUTHOR]
Copyright of Science (pre-March 2025) is the property of American Association for the Advancement of Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Psychology and Behavioral Sciences Collection
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  Data: Real-Time Observation of Surface Bond Breaking with an X-ray Laser.
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  Data: <searchLink fieldCode="AR" term="%22Dell'Angela%2C+M%2E%22">Dell'Angela, M.</searchLink><br /><searchLink fieldCode="AR" term="%22Anniyev%2C+T%2E%22">Anniyev, T.</searchLink><br /><searchLink fieldCode="AR" term="%22Beye%2C+M%2E%22">Beye, M.</searchLink><br /><searchLink fieldCode="AR" term="%22Coffee%2C+R%2E%22">Coffee, R.</searchLink><br /><searchLink fieldCode="AR" term="%22Föhlisch%2C+A%2E%22">Föhlisch, A.</searchLink><br /><searchLink fieldCode="AR" term="%22Gladh%2C+J%2E%22">Gladh, J.</searchLink><br /><searchLink fieldCode="AR" term="%22Katayama%2C+T%2E%22">Katayama, T.</searchLink><br /><searchLink fieldCode="AR" term="%22Kaya%2C+S%2E%22">Kaya, S.</searchLink><br /><searchLink fieldCode="AR" term="%22Krupin%2C+O%2E%22">Krupin, O.</searchLink><br /><searchLink fieldCode="AR" term="%22LaRue%2C+J%2E%22">LaRue, J.</searchLink><br /><searchLink fieldCode="AR" term="%22Møgelhøj%2C+A%2E%22">Møgelhøj, A.</searchLink><br /><searchLink fieldCode="AR" term="%22Nordlund%2C+D%2E%22">Nordlund, D.</searchLink><br /><searchLink fieldCode="AR" term="%22Nørskov%2C+J%2E+K%2E%22">Nørskov, J. K.</searchLink><br /><searchLink fieldCode="AR" term="%22Öberg%2C+H%2E%22">Öberg, H.</searchLink><br /><searchLink fieldCode="AR" term="%22Ogasawara%2C+H%2E%22">Ogasawara, H.</searchLink><br /><searchLink fieldCode="AR" term="%22Öström%2C+H%2E%22">Öström, H.</searchLink><br /><searchLink fieldCode="AR" term="%22Pettersson%2C+L%2E+G%2E+M%2E%22">Pettersson, L. G. M.</searchLink><br /><searchLink fieldCode="AR" term="%22Schlotter%2C+W%2E+F%2E%22">Schlotter, W. F.</searchLink><br /><searchLink fieldCode="AR" term="%22Sellberg%2C+J%2E+A%2E%22">Sellberg, J. A.</searchLink><br /><searchLink fieldCode="AR" term="%22Sorgenfrei%2C+F%2E%22">Sorgenfrei, F.</searchLink>
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  Data: <searchLink fieldCode="JN" term="%22Science+%28pre-March+2025%29%22">Science (pre-March 2025)</searchLink>. 3/15/2013, Vol. 339 Issue 6125, p1302-1305. 4p.
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  Data: <searchLink fieldCode="DE" term="%22X-ray+lasers%22">X-ray lasers</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+monoxide%22">Carbon monoxide</searchLink><br /><searchLink fieldCode="DE" term="%22Chemisorption%22">Chemisorption</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+structure%22">Electronic structure</searchLink><br /><searchLink fieldCode="DE" term="%22Femtosecond+lasers%22">Femtosecond lasers</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+forces%22">Intermolecular forces</searchLink><br /><searchLink fieldCode="DE" term="%22Free+energy+%28Thermodynamics%29%22">Free energy (Thermodynamics)</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Van+der+Waals+forces%22">Van der Waals forces</searchLink>
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  Label: Abstract
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  Data: We used the Linac Coherent Light Source free-electron x-ray laser to probe the electronic structure of CO molecules as their chemisorption state on Ru(0001) changes upon exciting the substrate by using a femtosecond optical laser pulse. We observed electronic structure changes that are consistent with a weakening of the CO interaction with the substrate but without notable desorption. A large fraction of the molecules (30%) was trapped in a transient precursor state that would precede desorption. We calculated the free energy of the molecule as a function of the desorption reaction coordinate using density functional theory, including van der Waals interactions. Two distinct adsorption wells--chemisorbed and precursor state separated by an entropy barrier--explain the anomalously high prefactors often observed in desorption of molecules from metals. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Science (pre-March 2025) is the property of American Association for the Advancement of Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1126/science.1231711
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        Text: English
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      – SubjectFull: X-ray lasers
        Type: general
      – SubjectFull: Carbon monoxide
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      – SubjectFull: Chemisorption
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