Wodtke, Alec Michael

[["dc.bibliographiccitation.artnumber","064705"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","137"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Li, Zhisheng"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:07:12Z"],["dc.date.available","2018-11-07T09:07:12Z"],["dc.date.issued","2012"],["dc.description.abstract","We describe a method to obtain absolute vibrational excitation probabilities of molecules scattering from a surface based on measurements of the rotational state, scattering angle, and temporal distributions of the scattered molecules and apply this method to the vibrational excitation of NO scattering from Au(111). We report the absolute excitation probabilities to the v = 1 and v = 2 vibrational states, rotational excitation distributions, and final scattering angle distributions for a wide range of incidence energies and surface temperatures. In addition to demonstrating the methodology for obtaining absolute scattering probabilities, these results provide an excellent benchmark for theoretical calculations of molecule-surface scattering. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4738596]"],["dc.description.sponsorship","Alexander von Humboldt Foundation"],["dc.identifier.doi","10.1063/1.4738596"],["dc.identifier.isi","000308048700052"],["dc.identifier.pmid","22897300"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11562"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/25737"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","On the determination of absolute vibrational excitation probabilities in molecule-surface scattering: Case study of NO on Au(111)"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","submitted_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","8153"],["dc.bibliographiccitation.issue","18"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","8162"],["dc.bibliographiccitation.volume","13"],["dc.contributor.author","Matsiev, Daniel"],["dc.contributor.author","Li, Zhisheng"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:01:53Z"],["dc.date.available","2018-11-07T09:01:53Z"],["dc.date.issued","2011"],["dc.description.abstract","Here we extend a recently introduced state-to-state kinetic model describing single-and multi-quantum vibrational excitation of molecular beams of NO scattering from a Au(111) metal surface. We derive an analytical expression for the rate of electronically non-adiabatic vibrational energy transfer, which is then employed in the analysis of the temperature dependence of the kinetics of direct overtone and two-step sequential energy transfer mechanisms. We show that the Arrhenius surface temperature dependence for vibrational excitation probability reported in many previous studies emerges as a low temperature limit of a more general solution that describes the approach to thermal equilibrium in the limit of infinite interaction time and that the pre-exponential term of the Arrhenius expression can be used not only to distinguish between the direct overtone and sequential mechanisms, but also to deduce their relative contributions. We also apply the analytical expression for the vibrational energy transfer rates introduced in this work to the full kinetic model and obtain an excellent fit to experimental data, the results of which show how to extract numerical values of the molecule-surface coupling strength and its fundamental properties."],["dc.identifier.doi","10.1039/c0cp01418d"],["dc.identifier.isi","000289954300010"],["dc.identifier.pmid","21046047"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/8707"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24540"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule-surface collisions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","044701"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","140"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Shirhatti, Pranav R."],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Kandratsenka, Alexander"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.contributor.author","Bartels, Christof"],["dc.date.accessioned","2018-11-07T09:45:00Z"],["dc.date.available","2018-11-07T09:45:00Z"],["dc.date.issued","2014"],["dc.description.abstract","We present a combined experimental and theoretical study of NO(v = 3 -> 3, 2, 1) scattering from a Au(111) surface at incidence translational energies ranging from 0.1 to 1.2 eV. Experimentally, molecular beam-surface scattering is combined with vibrational overtone pumping and quantum-state selective detection of the recoiling molecules. Theoretically, we employ a recently developed first-principles approach, which employs an Independent Electron Surface Hopping (IESH) algorithm to model the nonadiabatic dynamics on a Newns-Anderson Hamiltonian derived from density functional theory. This approach has been successful when compared to previously reported NO/Au scattering data. The experiments presented here show that vibrational relaxation probabilities increase with incidence energy of translation. The theoretical simulations incorrectly predict high relaxation probabilities at low incidence translational energy. We show that this behavior originates from trajectories exhibiting multiple bounces at the surface, associated with deeper penetration and favored (N-down) molecular orientation, resulting in a higher average number of electronic hops and thus stronger vibrational relaxation. The experimentally observed narrow angular distributions suggest that mainly single-bounce collisions are important. Restricting the simulations by selecting only single-bounce trajectories improves agreement with experiment. The multiple bounce artifacts discovered in this work are also present in simulations employing electronic friction and even for electronically adiabatic simulations, meaning they are not a direct result of the IESH algorithm. This work demonstrates how even subtle errors in the adiabatic interaction potential, especially those that influence the interaction time of the molecule with the surface, can lead to an incorrect description of electronically nonadiabatic vibrational energy transfer in molecule-surface collisions. (C) 2014 AIP Publishing LLC."],["dc.description.sponsorship","Alexander von Humboldt foundation"],["dc.identifier.doi","10.1063/1.4861660"],["dc.identifier.isi","000331211700071"],["dc.identifier.pmid","25669561"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11564"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/34519"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v=3) collisions with a Au(111) surface"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","submitted_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","124704"],["dc.bibliographiccitation.issue","12"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","141"],["dc.contributor.author","Shirhatti, Pranav R."],["dc.contributor.author","Werdecker, Joern"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Wodtke, Alec Michael"],["dc.contributor.author","Bartels, Christof"],["dc.date.accessioned","2018-11-07T09:35:03Z"],["dc.date.available","2018-11-07T09:35:03Z"],["dc.date.issued","2014"],["dc.description.abstract","We investigated the translational incidence energy (E-i) and surface temperature (T-s) dependence of CO vibrational excitation upon scattering from a clean Au(111) surface. We report absolute v=0 -> 1 excitation probabilities for E-i between 0.16 and 0.84 eV and T-s between 473 and 973 K. This is now only the second collision system where such comprehensive measurements are available - the first is NO on Au(111). For CO on Au(111), vibrational excitation occurs via direct inelastic scattering through electron hole pair mediated energy transfer - it is enhanced by incidence translation and the electronically non-adiabatic coupling is about 5 times weaker than in NO scattering from Au(111). Vibrational excitation via the trapping desorption channel dominates at E-i = 0.16 eV and quickly disappears at higher E-i. (C) 2014 AIP Publishing LLC."],["dc.description.sponsorship","Alexander von Humboldt Foundation"],["dc.identifier.doi","10.1063/1.4894814"],["dc.identifier.isi","000342844100058"],["dc.identifier.pmid","25273458"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11565"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/32306"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Electron hole pair mediated vibrational excitation in CO scattering from Au(111): Incidence energy and surface temperature dependence"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","submitted_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","7091"],["dc.bibliographiccitation.issue","32"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry A"],["dc.bibliographiccitation.lastpage","7101"],["dc.bibliographiccitation.volume","117"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Kandratsenka, Alexander"],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.contributor.author","Bartels, Christof"],["dc.date.accessioned","2018-11-07T09:21:14Z"],["dc.date.available","2018-11-07T09:21:14Z"],["dc.date.issued","2013"],["dc.description.abstract","We measured absolute probabilities for vibrational excitation of NO(v = 0) molecules in collisions with a Au(111) surface at an incidence energy of translation of 0.4 eV and surface temperatures between 300 and 1100 K. In addition to previously reported excitation to v = 1 and v = 2, we observed excitation to v = 3. The excitation probabilities exhibit an Arrhenius dependence on surface temperature, indicating that the dominant excitation mechanism is nonadiabatic coupling to electron hole pairs. The experimental data are analyzed in terms of a recently introduced kinetic model, which was extended to include four vibrational states. We describe a subpopulation decomposition of the kinetic model, which allows us to examine vibrational population transfer pathways. The analysis indicates that sequential pathways (v = 0 -> 1 -> 2 and v = 0 -> 1 -> 2 -> 3) alone cannot adequately describe production of v = 2 or 3. In addition, we performed first-principles molecular dynamics calculations that incorporate electronically nonadiabatic dynamics via an independent electron surface hopping (IESH) algorithm, which requires as input an ab initio potential energy hypersurface (PES) and nonadiabatic coupling matrix elements, both obtained from density functional theory (DFT). While the LESH-based simulations reproduce the v = 1 data well, they slightly underestimate the excitation probabilities for v = 2, and they significantly underestimate those for v = 3. Furthermore, this implementation of IESH appears to overestimate the importance of sequential energy transfer pathways. We make several suggestions concerning ways to improve this IESH-based model."],["dc.description.sponsorship","Alexander von Humboldt foundation"],["dc.identifier.doi","10.1021/jp400313b"],["dc.identifier.isi","000323300800020"],["dc.identifier.pmid","23947910"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11561"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/29068"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Experimental and Theoretical Study of Multi-Quantum Vibrational Excitation: NO(v=0 -> 1,2,3) in Collisions with Au(111)"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","submitted_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1863"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1867"],["dc.bibliographiccitation.volume","15"],["dc.contributor.author","Schaefer, Tim"],["dc.contributor.author","Bartels, Nils"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Koeckert, Hansjochen"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Kitsopoulos, T. N."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:30:40Z"],["dc.date.available","2018-11-07T09:30:40Z"],["dc.date.issued","2013"],["dc.description.abstract","We report vibrational excitation of CO from its ground (v = 0) to first excited (v = 1) vibrational state in collision with Au(111) at an incidence energy of translation of E-I = 0.45 eV. Unlike past work, we can exclude an excitation mechanism involving temporary adsorption on the surface followed by thermalization and desorption. The angular distributions of the scattered CO molecules are narrow, consistent with direct scattering occurring on a sub-ps time scale. The absolute excitation probabilities are about 3% of those expected from thermal accommodation. The surface temperature dependence of excitation, which was measured between 373 and 973 K, is Arrhenius-like with an activation energy equal to the energy required for vibrational excitation. Our measurements are consistent with a vibrational excitation mechanism involving coupling of thermally excited electron-hole pairs of the solid to CO vibration."],["dc.description.sponsorship","Alexander von Humboldt foundation"],["dc.identifier.doi","10.1039/c2cp43351f"],["dc.identifier.isi","000313566300019"],["dc.identifier.pmid","23247407"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10216"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/31361"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Observation of direct vibrational excitation in gas-surface collisions of CO with Au(111): a new model system for surface dynamics"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","4954"],["dc.bibliographiccitation.issue","20"],["dc.bibliographiccitation.journal","Angewandte Chemie International Edition"],["dc.bibliographiccitation.lastpage","4958"],["dc.bibliographiccitation.volume","51"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Kandratsenka, Alexander"],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Shenvi, Neil"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Li, Zhisheng"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Tully, John C."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:15:23Z"],["dc.date.available","2018-11-07T09:15:23Z"],["dc.date.issued","2012"],["dc.identifier.doi","10.1002/anie.201201168"],["dc.identifier.isi","000303925200035"],["dc.identifier.pmid","22488975"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/11083"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/27670"],["dc.notes","Autorenversion / Author's Version"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-v C H Verlag Gmbh"],["dc.relation.issn","1521-3773"],["dc.relation.issn","1433-7851"],["dc.relation.orgunit","Fakultät für Physik"],["dc.title","Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","submitted_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","12680"],["dc.bibliographiccitation.issue","28"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","12692"],["dc.bibliographiccitation.volume","13"],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Matsiev, Daniel"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:01:54Z"],["dc.date.available","2018-11-07T09:01:54Z"],["dc.date.issued","2011"],["dc.description.abstract","The Born-Oppenheimer Approximation (BOA) forms the basis for calculating electronically adiabatic potential energy surfaces, thus providing the framework for developing a molecular level understanding of a variety of important chemical problems. For surface chemistry at metal surfaces, it is now clear that for some processes electronically nonadiabatic effects can be important, even dominant; however, the magnitude of BOA breakdown may vary widely from one chemical system to another. In this paper we show that molecular-beam surface scattering experiments can be used to derive quantitative information about the magnitude of BOA breakdown. A state-to-state rate model is used to interpret the pre-exponential factor of the well-known Arrhenius surface temperature dependence of the electronically nonadiabatic vibrational excitation. We also show that reference to a \"thermal limit\" provides a quick and simple rule of thumb for quantifying BOA breakdown. We demonstrate this approach by comparing electronically nonadiabatic vibrational inelasticity for NO(nu = 0 -> 1) to NO(nu = 15 -> nu << 15) and show that the electronically nonadiabatic coupling strengths are of a similar magnitude. We compare experiments for NO and HCl scattering from Au(111) and derive the quantitative relative magnitude for the electronically nonadiabatic influences in each system. The electronically nonadiabatic influences are 300-400 times larger for NO than for HCl, for incidence energies near 0.9 eV."],["dc.identifier.doi","10.1039/c1cp20356h"],["dc.identifier.isi","000293460400001"],["dc.identifier.pmid","21677973"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/8708"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24543"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","7602"],["dc.bibliographiccitation.issue","16"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","7610"],["dc.bibliographiccitation.volume","16"],["dc.contributor.author","Golibrzuch, Kai"],["dc.contributor.author","Shirhatti, Pranav R."],["dc.contributor.author","Rahinov, Igor"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.contributor.author","Bartels, Christof"],["dc.date.accessioned","2018-11-07T09:46:21Z"],["dc.date.available","2018-11-07T09:46:21Z"],["dc.date.issued","2014"],["dc.description.abstract","We report measurements of translational energy distributions when scattering NO(v(i) = 3, J(i) = 1.5) from a Au(111) surface into vibrational states v(f) = 1, 2, 3 and rotational states up to J(f) = 32.5 for various incidence energies ranging from 0.11 eV to 0.98 eV. We observed that the vibration-to-translation as well as the translation-to-rotation coupling depend on translational incidence energy, E-I. The vibration-to-translation coupling, i.e. the additional recoil energy observed for vibrationally inelastic (v = 3 -> 2, 1) scattering, is seen to increase with increasing E-I. The final translational energy decreases approximately linearly with increasing rotational excitation. At incidence energies E-I > 0.5 eV, the slopes of these dependencies are constant and identical for the three vibrational channels. At lower incidence energies, the slopes gradually approach zero for the vibrationally elastic channel while they exhibit more abrupt transitions for the vibrationally inelastic channels. We discuss possible mechanisms for both effects within the context of nonadiabatic electron-hole pair mediated energy transfer and orientation effects."],["dc.description.sponsorship","Alexander von Humboldt foundation"],["dc.identifier.doi","10.1039/c3cp55224a"],["dc.identifier.isi","000333523500051"],["dc.identifier.pmid","24637916"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10997"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/34851"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.rights.access","openAccess"],["dc.title","Incidence energy dependent state-to-state time-of-flight measurements of NO(v=3) collisions with Au(111): the fate of incidence vibrational and translational energy"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1647"],["dc.bibliographiccitation.issue","9"],["dc.bibliographiccitation.journal","Chemical Science"],["dc.bibliographiccitation.lastpage","1655"],["dc.bibliographiccitation.volume","2"],["dc.contributor.author","Bartels, Christof"],["dc.contributor.author","Cooper, Russell"],["dc.contributor.author","Auerbach, Daniel J."],["dc.contributor.author","Wodtke, Alec Michael"],["dc.date.accessioned","2018-11-07T09:00:58Z"],["dc.date.available","2018-11-07T09:00:58Z"],["dc.date.issued","2011"],["dc.description.abstract","Interactions of molecules at metal surfaces can result in energy exchange with the electrons of the metal. This complicates theoretical strategies designed to simulate surface reactivity, most of which today are based on the Born-Oppenheimer approximation. One widely applied electronically nonadiabatic theory designed to make the leap beyond the Born-Oppenheimer approximation is \"molecular dynamics with electronic friction\", where weak coupling of adsorbate motion to metal electrons is treated as a frictional force field modifying the molecular dynamics in a systematic and simple way. This minireview describes recent experiments on energy transfer between small molecules and simple, well-ordered surfaces, which suggest that at least for certain systems, energy can be selectively transferred between a molecule and a single electron of the solid, a process that might better be described as an electron transfer reaction than as friction. These results point out that theoretical approaches that go beyond electron weak coupling and electronic friction will be needed to properly treat electronically nonadiabatic effects in surface chemistry."],["dc.identifier.doi","10.1039/c1sc00181g"],["dc.identifier.isi","000293693700002"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/8686"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24295"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","2041-6539"],["dc.relation.issn","2041-6520"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Energy transfer at metal surfaces: the need to go beyond the electronic friction picture"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]