TY  - JOUR
A1  - Kroll, Thomas
A1  - Kern, Jan
A1  - Kubin, Markus
A1  - Ratner, Daniel
A1  - Gul, Sheraz
A1  - Fuller, Franklin D.
A1  - Löchel, Heike
A1  - Krzywinski, Jacek
A1  - Lutman, Alberto
A1  - Ding, Yuantao
A1  - Dakovski, Georgi L.
A1  - Moeller, Stefan
A1  - Turner, Joshua J.
A1  - Alonso-Mori, Roberto
A1  - Nordlund, Dennis L.
A1  - Rehanek, Jens
A1  - Weniger, Christian
A1  - Firsov, Alexander
A1  - Brzhezinskaya, Maria
A1  - Chatterjee, Ruchira
A1  - Lassalle-Kaiser, Benedikt
A1  - Sierra, Raymond G.
A1  - Laksmono, Hartawan
A1  - Hill, Ethan
A1  - Borovik, Andrew S.
A1  - Erko, Alexei
A1  - Föhlisch, Alexander
A1  - Mitzner, Rolf
A1  - Yachandra, Vittal K.
A1  - Yano, Junko
A1  - Wernet, Philippe
A1  - Bergmann, Uwe
T1  - X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser
JF  - Optics express : the international electronic journal of optics
N2  - X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. However, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. Here we compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based on self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. We show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements. (C) 2016 Optical Society of America
Y1  - 2016
U6  - https://doi.org/10.1364/OE.24.022469
SN  - 1094-4087
VL  - 24
SP  - 22469
EP  - 22480
PB  - Optical Society of America
CY  - Washington
ER  - 
TY  - JOUR
A1  - Kroll, Alexander
T1  - The other type of performance information - nonroutine feedback, its relevance and use
JF  - Public administration review
N2  - The literature on performance information use explains how public managers deal with mainly quantitative data that are systematically collected and formally reported. This article argues that such a narrow understanding is incomplete, as it excludes all kinds of nonroutine performance information, including verbal, ad hoc, and qualitative feedback. To understand how responsive public managers are to performance feedback, alternative sources of performance information need to be taken into account. A literature review suggests considering two important sources of nonroutine feedback: organizational insiders and relevant external stakeholders. Using survey data from German local government, this article shows that public managers prefer to use nonroutine feedback over routine data from performance reports. Furthermore, a regression analysis indicates that different sources of performance information require different determinants to trigger their use. This finding is essential because it suggests that explanations of performance information use can covary with the information source studied.
Y1  - 2013
U6  - https://doi.org/10.1111/j.1540-6210.2012.02648.x
SN  - 0033-3352
VL  - 73
IS  - 2
SP  - 265
EP  - 276
PB  - Wiley-Blackwell
CY  - Hoboken
ER  - 
TY  - JOUR
A1  - Kroll, Alexander
A1  - Vogel, Dominik
T1  - The PSM-leadership fit: a model of performance information use
JF  - The journal of public administration
N2  - This article examines the use of performance information by public managers. It conceptualizes purposeful data use as a type of extra-role behaviour which requires additional effort on the part of the managers and which is not extrinsically rewarded. The article sheds light on one potential antecedent of performance information use - the motivation of the users. It argues that we can observe high levels of data use if managers driven by public service motivation (PSM) work under transformational leaders. Using a needs-supply perspective on supervisors and followers, we suggest that there is a PSM-leadership fit which fosters the performance of this extra-role behaviour. The article is based on data from German local government and its findings contribute to the literatures on PSM as well as on performance management.
Y1  - 2014
U6  - https://doi.org/10.1111/padm.12014
SN  - 0033-3298
SN  - 1467-9299
VL  - 92
IS  - 4
SP  - 974
EP  - 991
PB  - Wiley-Blackwell
CY  - Hoboken
ER  - 
TY  - JOUR
A1  - Vogel, Dominik
A1  - Kroll, Alexander
T1  - The stability and change of psm-related values across time
BT  - Testing theoretical expectations against panel data
JF  - International public management journal
N2  - This article is a response to calls in prior research that we need more longitudinal analyses to better understand the foundations of PSM and related prosocial values. There is wide agreement that it is crucial for theory building but also for tailoring hiring practices and human resource development programs to sort out whether PSM-related values are stable or developable. The article summarizes existent theoretical expectations, which turn out to be partially conflicting, and tests them against multiple waves of data from the German Socio-Economic Panel Study which covers a time period of 16 years. It finds that PSM-related values of public employees are stable rather than dynamic but tend to increase with age and decrease with organizational membership. The article also examines cohort effects, which have been neglected in prior work, and finds moderate evidence that there are differences between those born during the Second World War and later generations.
Y1  - 2016
U6  - https://doi.org/10.1080/10967494.2015.1047544
SN  - 1096-7494
SN  - 1559-3169
VL  - 19
SP  - 53
EP  - 77
PB  - J. C. B. Mohr
CY  - Abingdon
ER  - 
TY  - JOUR
A1  - Kroll, Alexander
T1  - Explaining the Use of Performance Information by Public Managers: A Planned-Behavior Approach
JF  - The American review of public administration
N2  - This article examines the use of performance information by public managers. It reviews literature on the impact of attitudes and social norm and puts forward a psychological-cognitive model based on the theory of planned behavior. The article finds support for this model emphasizing that performance data use is a goal-directed, reasoned action. Another critical result is that managers who consciously intend to use performance data also make sure that the data in their division are of good quality which, in turn, fosters information use. These findings indicate thatin addition to organizational routinescognitive factors are promising starting points for interventions to foster managers' data use. The article is based on survey data from German cities.
KW  - performance measurement
KW  - management analysis
KW  - organizational behavior
KW  - psychology
KW  - information and communication technology
KW  - public management issues
Y1  - 2015
U6  - https://doi.org/10.1177/0275074013486180
SN  - 0275-0740
SN  - 1552-3357
VL  - 45
IS  - 2
SP  - 201
EP  - 215
PB  - Sage Publ.
CY  - Thousand Oaks
ER  - 
TY  - JOUR
A1  - Zoller, Peter
A1  - Beth, Thomas
A1  - Binosi, D.
A1  - Blatt, Rainer
A1  - Briegel, Hans J.
A1  - Bruss, D.
A1  - Calarco, Tommaso
A1  - Cirac, Juan Ignacio
A1  - Deutsch, David
A1  - Eisert, Jens
A1  - Ekert, Artur
A1  - Fabre, Claude
A1  - Gisin, Nicolas
A1  - Grangiere, P.
A1  - Grassl, Markus
A1  - Haroche, Serge
A1  - Imamoglu, Atac
A1  - Karlson, A.
A1  - Kempe, Julia
A1  - Kouwenhoven, Leo P.
A1  - Kröll, S.
A1  - Leuchs, Gerd
A1  - Lewenstein, Maciej
A1  - Loss, Daniel
A1  - Lütkenhaus, Norbert
A1  - Massar, Serge
A1  - Mooij, J. E.
A1  - Plenio, Martin Bodo
A1  - Polzik, Eugene
A1  - Popescu, Sandu
A1  - Rempe, Gerhard
A1  - Sergienko, Alexander
A1  - Suter, David
A1  - Twamley, John
A1  - Wendin, Göran
A1  - Werner, Reinhard F.
A1  - Winter, Andreas
A1  - Wrachtrup, Jörg
A1  - Zeilinger, Anton
T1  - Quantum information processing and communication : Strategic report on current status, visions and goals for research in Europe
N2  - We present an excerpt of the document "Quantum Information Processing and Communication: Strategic report on current status, visions and goals for research in Europe", which has been recently published in electronic form at the website of FET (the Future and Emerging Technologies Unit of the Directorate General Information Society of the European Commission, http://www.cordis.lu/ist/fet/qipc-sr.htm). This document has been elaborated, following a former suggestion by FET, by a committee of QIPC scientists to provide input towards the European Commission for the preparation of the Seventh Framework Program. Besides being a document addressed to policy makers and funding agencies (both at the European and national level), the document contains a detailed scientific assessment of the state-of-the-art, main research goals, challenges, strengths, weaknesses, visions and perspectives of all the most relevant QIPC sub-fields, that we report here
Y1  - 2005
SN  - 1434-6060
ER  - 
TY  - JOUR
A1  - Kubin, Markus
A1  - Guo, Meiyuan
A1  - Kroll, Thomas
A1  - Loechel, Heike
A1  - Kallman, Erik
A1  - Baker, Michael L.
A1  - Mitzner, Rolf
A1  - Gul, Sheraz
A1  - Kern, Jan
A1  - Föhlisch, Alexander
A1  - Erko, Alexei
A1  - Bergmann, Uwe
A1  - Yachandra, Vittal
A1  - Yano, Junko
A1  - Lundberg, Marcus
A1  - Wernet, Philippe
T1  - Probing the oxidation state of transition metal complexes
BT  - a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies
JF  - Chemical science
N2  - Transition metals in inorganic systems and metalloproteins can occur in different oxidation states, which makes them ideal redox-active catalysts. To gain a mechanistic understanding of the catalytic reactions, knowledge of the oxidation state of the active metals, ideally in operando, is therefore critical. L-edge X-ray absorption spectroscopy (XAS) is a powerful technique that is frequently used to infer the oxidation state via a distinct blue shift of L-edge absorption energies with increasing oxidation state. A unified description accounting for quantum-chemical notions whereupon oxidation does not occur locally on the metal but on the whole molecule and the basic understanding that L-edge XAS probes the electronic structure locally at the metal has been missing to date. Here we quantify how charge and spin densities change at the metal and throughout the molecule for both redox and core-excitation processes. We explain the origin of the L-edge XAS shift between the high-spin complexes Mn-II(acac)(2) and Mn-III(acac)(3) as representative model systems and use ab initio theory to uncouple effects of oxidation-state changes from geometric effects. The shift reflects an increased electron affinity of Mn-III in the core-excited states compared to the ground state due to a contraction of the Mn 3d shell upon core-excitation with accompanied changes in the classical Coulomb interactions. This new picture quantifies how the metal-centered core hole probes changes in formal oxidation state and encloses and substantiates earlier explanations. The approach is broadly applicable to mechanistic studies of redox-catalytic reactions in molecular systems where charge and spin localization/delocalization determine reaction pathways.
Y1  - 2018
U6  - https://doi.org/10.1039/c8sc00550h
SN  - 2041-6520
SN  - 2041-6539
VL  - 9
IS  - 33
SP  - 6813
EP  - 6829
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  - 
TY  - JOUR
A1  - Kubin, Markus
A1  - Kern, Jan
A1  - Gul, Sheraz
A1  - Kroll, Thomas
A1  - Chatterjee, Ruchira
A1  - Loechel, Heike
A1  - Fuller, Franklin D.
A1  - Sierra, Raymond G.
A1  - Quevedo, Wilson
A1  - Weniger, Christian
A1  - Rehanek, Jens
A1  - Firsov, Anatoly
A1  - Laksmono, Hartawan
A1  - Weninger, Clemens
A1  - Alonso-Mori, Roberto
A1  - Nordlund, Dennis L.
A1  - Lassalle-Kaiser, Benedikt
A1  - Glownia, James M.
A1  - Krzywinski, Jacek
A1  - Moeller, Stefan
A1  - Turner, Joshua J.
A1  - Minitti, Michael P.
A1  - Dakovski, Georgi L.
A1  - Koroidov, Sergey
A1  - Kawde, Anurag
A1  - Kanady, Jacob S.
A1  - Tsui, Emily Y.
A1  - Suseno, Sandy
A1  - Han, Zhiji
A1  - Hill, Ethan
A1  - Taguchi, Taketo
A1  - Borovik, Andrew S.
A1  - Agapie, Theodor
A1  - Messinger, Johannes
A1  - Erko, Alexei
A1  - Föhlisch, Alexander
A1  - Bergmann, Uwe
A1  - Mitzner, Rolf
A1  - Yachandra, Vittal K.
A1  - Yano, Junko
A1  - Wernet, Philippe
T1  - Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers
JF  - Structural dynamics
N2  - X-ray absorption spectroscopy at the L-edge of 3d transition metals provides unique information on the local metal charge and spin states by directly probing 3d-derived molecular orbitals through 2p-3d transitions. However, this soft x-ray technique has been rarely used at synchrotron facilities for mechanistic studies of metalloenzymes due to the difficulties of x-ray-induced sample damage and strong background signals from light elements that can dominate the low metal signal. Here, we combine femtosecond soft x-ray pulses from a free-electron laser with a novel x-ray fluorescence-yield spectrometer to overcome these difficulties. We present L-edge absorption spectra of inorganic high-valent Mn complexes (Mn similar to 6-15 mmol/l) with no visible effects of radiation damage. We also present the first L-edge absorption spectra of the oxygen evolving complex (Mn4CaO5) in Photosystem II (Mn < 1 mmol/l) at room temperature, measured under similar conditions. Our approach opens new ways to study metalloenzymes under functional conditions. (C) 2017 Author(s).
Y1  - 2017
U6  - https://doi.org/10.1063/1.4986627
SN  - 2329-7778
VL  - 4
PB  - American Institute of Physics
CY  - Melville
ER  -