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61.
Bidyut B. Sarma Jonglack Kim Jonas Amsler Giovanni Agostini Claudia Weidenthaler Norbert Pfnder Raul Arenal Patricia Concepcin Philipp Plessow Felix Studt Gonzalo Prieto 《Angewandte Chemie (International ed. in English)》2020,59(14):5806-5815
Realizing the full potential of oxide‐supported single‐atom metal catalysts (SACs) is key to successfully bridge the gap between the fields of homogeneous and heterogeneous catalysis. Here we show that the one‐pot combination of Ru1/CeO2 and Rh1/CeO2 SACs enables a highly selective olefin isomerization‐hydrosilylation tandem process, hitherto restricted to molecular catalysts in solution. Individually, monoatomic Ru and Rh sites show a remarkable reaction specificity for olefin double‐bond migration and anti‐Markovnikov α‐olefin hydrosilylation, respectively. First‐principles DFT calculations ascribe such selectivity to differences in the binding strength of the olefin substrate to the monoatomic metal centers. The single‐pot cooperation of the two SACs allows the production of terminal organosilane compounds with high regio‐selectivity (>95 %) even from industrially‐relevant complex mixtures of terminal and internal olefins, alongside a straightforward catalyst recycling and reuse. These results demonstrate the significance of oxide‐supported single‐atom metal catalysts in tandem catalytic reactions, which are central for the intensification of chemical processes. 相似文献
62.
63.
Parallel preconditioned conjugate gradient algorithm on GPU 总被引:1,自引:0,他引:1
We propose a parallel implementation of the Preconditioned Conjugate Gradient algorithm on a GPU platform. The preconditioning matrix is an approximate inverse derived from the SSOR preconditioner. Used through sparse matrix–vector multiplication, the proposed preconditioner is well suited for the massively parallel GPU architecture. As compared to CPU implementation of the conjugate gradient algorithm, our GPU preconditioned conjugate gradient implementation is up to 10 times faster (8 times faster at worst). 相似文献
64.
Estephania Lira Jonas ?. Hansen Peipei Huo Ralf Bechstein Patrick Galliker Erik L?gsgaard Bj?rk Hammer Stefan Wendt Flemming Besenbacher 《Surface science》2010,604(21-22):1945-1960
High-resolution scanning tunneling microscopy (STM) and temperature-programmed desorption (TPD) were used to study the interaction of O2 with reduced TiO2(110)–(1 × 1) crystals. STM is the technique of choice to unravel the relation between vacancy and non-vacancy assisted O2 dissociation channels as a function of temperature. It is revealed that the vacancy-assisted, first O2 dissociation channel is preferred at low temperature (~ 120 K), whereas the non-vacancy assisted, second O2 dissociation channel operates at temperatures higher than 150 K–180 K. Based on the STM results on the two dissociative O2 interaction channels and the TPD data, a new comprehensive model of the O2 chemisorption on reduced TiO2(110) is proposed. The model explains the relations between the two dissociative and the molecular O2 interaction channels. The experimental data are interpreted by considering the available charge in the near-surface region of reduced TiO2(110) crystals, the kinetics of the two O2 dissociation channels as well as the kinetics of the diffusion and reaction of Ti interstitials. 相似文献
65.
66.
Excitation functions of the analyzing power in elastic proton-proton scattering from 0.45 to 2.5 GeV
M. Altmeier F. Bauer J. Bisplinghoff K. Büßer M. Busch T. Colberg L. Demirörs H. P. Engelhardt P. D. Eversheim K. O. Eyser O. Felden R. Gebel M. Glende J. Greiff F. Hinterberger E. Jonas H. Krause T. Lindemann J. Lindlein B. Lorentz R. Maier R. Maschuw A. Meinerzhagen D. Prasuhn H. Rohdjeß D. Rosendaal P. von Rossen N. Schirm V. Schwarz W. Scobel H. -J. Trelle K. Ulbrich E. Weise A. Wellinghausen R. Ziegler 《The European Physical Journal A - Hadrons and Nuclei》2005,23(2):351-364
Excitation functions AN(plab,c.m.) of the analyzing power in elastic proton-proton scattering have been measured in an internal target experiment at the Cooler Synchrotron COSY with an unpolarized proton beam and a polarized atomic hydrogen target. Data were taken continuously during the acceleration and deceleration for proton kinetic energies Tlab (momenta plab) between 0.45 and 2.5 GeV (1.0 and 3.3 GeV/c) and scattering angles 30 ° c.m. 90°. The results provide excitation functions and angular distributions of high precision and internal consistency. The data can be used as calibration standard between 0.45 and 2.5 GeV. They have significant impact on phase shift solutions, in particular on the spin triplet phase shifts between 1.0 and 1.8 GeV. 相似文献
67.
Using a lab-on-a-chip approach we demonstrate the possibility of selecting a single cell with certain properties and following its dynamics after an environmental stimulation in real time using Raman spectroscopy. This is accomplished by combining a micro Raman set-up with optical tweezers and a microfluidic system. The latter gives full control over the media surrounding the cell, and it consists of a pattern of channels and reservoirs defined by electron beam lithography that is moulded into rubber silicon (PDMS). Different buffers can be transported through the channels using electro-osmotic flow, while the resonance Raman response of an optically trapped red blood cell (RBC) is simultaneously registered. This makes it possible to monitor the oxygenation cycle of the cell in real time and to investigate effects like photo-induced chemistry caused by the illumination. The experimental set-up has high potential for in vivo monitoring of cellular drug response using a variety of spectroscopic probes. 相似文献
68.
Direct observation of tunneling and nonlinear self-trapping in a single bosonic Josephson junction 总被引:1,自引:0,他引:1
Albiez M Gati R Fölling J Hunsmann S Cristiani M Oberthaler MK 《Physical review letters》2005,95(1):010402
We report on the first realization of a single bosonic Josephson junction, implemented by two weakly linked Bose-Einstein condensates in a double-well potential. In order to fully investigate the nonlinear tunneling dynamics we measure the density distribution in situ and deduce the evolution of the relative phase between the two condensates from interference fringes. Our results verify the predicted nonlinear generalization of tunneling oscillations in superconducting and superfluid Josephson junctions. Additionally, we confirm a novel nonlinear effect known as macroscopic quantum self-trapping, which leads to the inhibition of large amplitude tunneling oscillations. 相似文献
69.
Brunskog J 《The Journal of the Acoustical Society of America》2005,117(6):3727-3739
Lightweight walls are often designed as frameworks of studs with plates on each side--a double-plate structure. The studs constitute boundaries for the cavities, thereby both affecting the sound transmission directly by short-circuiting the plates, and indirectly by disturbing the sound field between the plates. The paper presents a deterministic prediction model for airborne sound insulation including both effects of the studs. A spatial transform technique is used, taking advantage of the periodicity. The acoustic field inside the cavities is expanded by means of cosine-series. The transmission coefficient (angle-dependent and diffuse) and transmission loss are studied. Numerical examples are presented and comparisons with measurement are performed. The result indicates that a reasonably good agreement between theory and measurement can be achieved. 相似文献
70.
Iterative numerical schemes for solving the electrostatic partial differential equation with variable conductivity, using fast and high-order accurate direct methods for preconditioning, are compared. Two integral method schemes of this type, based on previously suggested splittings of the equation, are proposed, analyzed, and implemented. The schemes are tested for large problems on a square. Particular emphasis is paid to convergence as a function of geometric complexity in the conductivity. Differences in performance of the schemes are predicted and observed in a striking manner.
AMS subject classification (2000) 31A10, 35C15, 65R20.Received May 2004. Accepted September 2004. Communicated by Anders Szepessy.Johan Helsing: This work was supported by the Swedish Science Research Council under contract 621-2001-2799. 相似文献