Techert, Simone

[["dc.bibliographiccitation.firstpage","1266"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","Journal of Synchrotron Radiation"],["dc.bibliographiccitation.lastpage","1271"],["dc.bibliographiccitation.volume","26"],["dc.contributor.author","Döring, Florian"],["dc.contributor.author","Risch, Marcel"],["dc.contributor.author","Rösner, Benedikt"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Busse, Philipp"],["dc.contributor.author","Kubiček, Katharina"],["dc.contributor.author","Glaser, Leif"],["dc.contributor.author","Miedema, Piter S."],["dc.contributor.author","Soltau, Jakob"],["dc.contributor.author","Raiser, Dirk"],["dc.contributor.author","Guzenko, Vitaliy A."],["dc.contributor.author","Szabadics, Lukas"],["dc.contributor.author","Kochanneck, Leif"],["dc.contributor.author","Baumung, Max"],["dc.contributor.author","Buck, Jens"],["dc.contributor.author","Jooss, Christian"],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","David, Christian"],["dc.date.accessioned","2020-12-10T18:25:59Z"],["dc.date.available","2020-12-10T18:25:59Z"],["dc.date.issued","2019"],["dc.description.abstract","X-ray absorption spectroscopy (XAS) is a powerful element-specific technique that allows the study of structural and chemical properties of matter. Often an indirect method is used to access the X-ray absorption (XA). This work demonstrates a new XAS implementation that is based on off-axis transmission Fresnel zone plates to obtain the XA spectrum of La0.6Sr0.4MnO3 by analysis of three emission lines simultaneously at the detector, namely the O 2p-1s, Mn 3s-2p and Mn 3d-2p transitions. This scheme allows the simultaneous measurement of an integrated total fluorescence yield and the partial fluorescence yields (PFY) of the Mn 3s-2p and Mn 3d-2p transitions when scanning the Mn L-edge. In addition to this, the reduction in O fluorescence provides another measure for absorption often referred to as the inverse partial fluorescence yield (IPFY). Among these different methods to measure XA, the Mn 3s PFY and IPFY deviate the least from the true XA spectra due to the negligible influence of selection rules on the decay channel. Other advantages of this new scheme are the potential to strongly increase the efficiency and throughput compared with similar measurements using conventional gratings and to increase the signal-to-noise of the XA spectra as compared with a photodiode. The ability to record undistorted bulk XA spectra at high flux is crucial for future in situ spectroscopy experiments on complex materials."],["dc.identifier.doi","10.1107/S1600577519003898"],["dc.identifier.issn","1600-5775"],["dc.identifier.pmid","31274453"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/16305"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/75901"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation","SFB 1073 | Topical Area C | C05 Kontrolle Elektronen-getriebener Chemie durch Interkalation"],["dc.relation.eissn","1600-5775"],["dc.relation.issn","1600-5775"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.title","A zone-plate-based two-color spectrometer for indirect X-ray absorption spectroscopy"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Scientific Reports"],["dc.bibliographiccitation.volume","7"],["dc.contributor.author","Marschall, Felix"],["dc.contributor.author","Yin, Zhong"],["dc.contributor.author","Rehanek, Jens"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Döring, Florian"],["dc.contributor.author","Kubicek, Katharina"],["dc.contributor.author","Raiser, Dirk"],["dc.contributor.author","Thekku Veedu, Sreevidya"],["dc.contributor.author","Buck, Jens"],["dc.contributor.author","Rothkirch, André"],["dc.contributor.author","Rösner, Benedikt"],["dc.contributor.author","Guzenko, Vitaliy A."],["dc.contributor.author","Viefhaus, Jens"],["dc.contributor.author","Christian, David"],["dc.contributor.author","Techert, Simone"],["dc.date.accessioned","2019-07-09T11:43:49Z"],["dc.date.available","2019-07-09T11:43:49Z"],["dc.date.issued","2017"],["dc.identifier.doi","10.1038/s41598-017-09052-0"],["dc.identifier.pmid","28821805"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/14686"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/58975"],["dc.language.iso","en"],["dc.notes.intern","Merged from goescholar"],["dc.relation","info:eu-repo/grantAgreement/EC/H2020/654360/EU//NFFA-Europe"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.rights","CC BY 4.0"],["dc.title","Transmission zone plates as analyzers for efficient parallel 2D RIXS-mapping"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","103011"],["dc.bibliographiccitation.journal","New Journal of Physics"],["dc.bibliographiccitation.volume","18"],["dc.contributor.author","Kunnus, Kristjan"],["dc.contributor.author","Josefsson, Ida"],["dc.contributor.author","Rajkovic, Ivan"],["dc.contributor.author","Schreck, Simon"],["dc.contributor.author","Quevedo, Wilson"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Greubel, Sebastian"],["dc.contributor.author","Scholz, Mirko"],["dc.contributor.author","Nordlund, Dennis"],["dc.contributor.author","Zhang, W."],["dc.contributor.author","Hartsock, Robert W."],["dc.contributor.author","Gaffney, Kelly J."],["dc.contributor.author","Schlotter, William F."],["dc.contributor.author","Turner, Joshua J."],["dc.contributor.author","Kennedy, Brian"],["dc.contributor.author","Hennies, Franz"],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","Wernet, Philippe"],["dc.contributor.author","Odelius, Michael"],["dc.contributor.author","Foehlisch, Alexander"],["dc.date.accessioned","2018-11-07T10:07:45Z"],["dc.date.available","2018-11-07T10:07:45Z"],["dc.date.issued","2016"],["dc.description.abstract","Ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbital and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)(5) in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given-which will be covered experimentally by upcoming transform-limited x-ray sources."],["dc.identifier.doi","10.1088/1367-2630/18/10/103011"],["dc.identifier.isi","000386047000005"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/13971"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/39338"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.relation","info:eu-repo/grantAgreement/EC/H2020/669531/EU/Beating Complexity through Selectivity:Excited state Dynamics from Anti-Stokes and non-linear resonant inelastic X-ray scattering/EDAX"],["dc.relation.issn","1367-2630"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.rights","CC BY 3.0"],["dc.title","Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","043204"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","Structural Dynamics"],["dc.bibliographiccitation.volume","3"],["dc.contributor.author","Kunnus, Kristjan"],["dc.contributor.author","Josefsson, Ida"],["dc.contributor.author","Rajkovic, Ivan"],["dc.contributor.author","Schreck, Simon"],["dc.contributor.author","Quevedo, Wilson"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Weniger, C."],["dc.contributor.author","Gruebel, S."],["dc.contributor.author","Scholz, M."],["dc.contributor.author","Nordlund, D."],["dc.contributor.author","Zhang, W."],["dc.contributor.author","Hartsock, Robert W."],["dc.contributor.author","Gaffney, Kelly J."],["dc.contributor.author","Schlotter, William F."],["dc.contributor.author","Turner, Joshua J."],["dc.contributor.author","Kennedy, Brian"],["dc.contributor.author","Hennies, F."],["dc.contributor.author","de Groot, F. M. F."],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","Odelius, Michael"],["dc.contributor.author","Wernet, Ph."],["dc.contributor.author","Foehlisch, Alexander"],["dc.date.accessioned","2018-11-07T10:11:53Z"],["dc.date.available","2018-11-07T10:11:53Z"],["dc.date.issued","2016"],["dc.description.abstract","We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)(5) in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)(4) which are observed following a charge transfer photoexcitation of Fe(CO)(5) as reported in our previous study [ Wernet et al., Nature 520, 78 (2015)]. We find that branching of the reaction pathway likely happens in the (1)A(1) state of Fe(CO)(4). A sub-picosecond time constant of the spin crossover from B-1(2) to B-3(2) is rationalized by the proposed B-1(2) -> (1)A(1) -> B-3(2) mechanism. Ultrafast ligation of the B-1(2) Fe(CO)(4) state is significantly faster than the spin-forbidden and diffusion limited ligation process occurring from the B-3(2) Fe(CO)(4) ground state that has been observed in the previous studies. We propose that the ultrafast ligation occurs via B-1(2) -> (1)A(1) -> (1)A'Fe(CO)(4)EtOH pathway and the time scale of the (1)A(1) Fe(CO)(4) state ligation is governed by the solute-solvent collision frequency. Our study emphasizes the importance of understanding the interaction of molecular excited states with the surrounding environment to explain the relaxation pathways of photoexcited metal carbonyls in solution. (C) 2016 Author(s)."],["dc.identifier.doi","10.1063/1.4941602"],["dc.identifier.isi","000383880700006"],["dc.identifier.pmid","26958587"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/13794"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/40130"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.publisher.place","Melville"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation.eventlocation","Berlin, GERMANY"],["dc.relation.issn","2329-7778"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.rights","CC BY 3.0"],["dc.title","Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)(5) to Fe(CO)(4)EtOH"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3538"],["dc.bibliographiccitation.issue","12"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry Letters"],["dc.bibliographiccitation.lastpage","3543"],["dc.bibliographiccitation.volume","9"],["dc.contributor.author","Jay, Raphael M."],["dc.contributor.author","Norell, Jesper"],["dc.contributor.author","Eckert, Sebastian"],["dc.contributor.author","Hantschmann, Markus"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Kennedy, Brian"],["dc.contributor.author","Quevedo, Wilson"],["dc.contributor.author","Schlotter, William F."],["dc.contributor.author","Dakovski, Georgi L."],["dc.contributor.author","Minitti, Michael P."],["dc.contributor.author","Hoffmann, Matthias C."],["dc.contributor.author","Mitra, Ankush"],["dc.contributor.author","Moeller, Stefan P."],["dc.contributor.author","Nordlund, Dennis"],["dc.contributor.author","Zhang, Wenkai"],["dc.contributor.author","Liang, Huiyang W."],["dc.contributor.author","Kunnus, Kristjan"],["dc.contributor.author","Kubiček, Katharina"],["dc.contributor.author","Techert, Simone A."],["dc.contributor.author","Lundberg, Marcus"],["dc.contributor.author","Wernet, Philippe"],["dc.contributor.author","Gaffney, Kelly"],["dc.contributor.author","Odelius, Michael"],["dc.contributor.author","Föhlisch, Alexander"],["dc.date.accessioned","2019-07-09T11:45:49Z"],["dc.date.available","2019-07-09T11:45:49Z"],["dc.date.issued","2018"],["dc.description.abstract","Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal-ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by the metal site occupation, whereas the ligand hole instead influences σ-donation. Our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes."],["dc.identifier.doi","10.1021/acs.jpclett.8b01429"],["dc.identifier.pmid","29888918"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/15321"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/59314"],["dc.language.iso","en"],["dc.notes.intern","Merged from goescholar"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation.issn","1948-7185"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.subject.ddc","530"],["dc.title","Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering."],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]