Berlin, Germany
Berlin, Germany

The Fritz Haber Institute of the Max Planck Society is a science research institute located at the heart of the academic district of Dahlem, in Berlin, Germany.The original Kaiser Wilhelm Institute for Physical Chemistry and Electrochemistry, founded in 1911, was incorporated in the Max Planck Society and simultaneously renamed for its first director, Fritz Haber, in 1953.The research topics covered throughout the history of the institute include chemical kinetics and reaction dynamics, colloid chemistry, atomic physics, spectroscopy, surface chemistry and surface physics, chemical physics and molecular physics, theoretical chemistry, and materials science.During World War I and World War II, the research of the institute was directed more or less towards Germany's military needs.To the illustrious past members of the Institute belong Herbert Freundlich, James Franck, Paul Friedlander, Rudolf Ladenburg, Michael Polanyi, Eugene Wigner, Ladislaus Farkas, Hartmut Kallmann, Otto Hahn, Robert Havemann, Karl Friedrich Bonhoeffer, Iwan N. Stranski, Ernst Ruska, Max von Laue, Gerhard Borrmann, Rudolf Brill, Kurt Moliere, Jochen Block, Heinz Gerischer, Rolf Hosemann , Kurt Ueberreiter, Alexander Bradshaw, Elmar Zeitler, and Gerhard Ertl.Nobel Prize laureates affiliated with the institute include Max von Laue , Fritz Haber , James Franck , Otto Hahn , Eugene Wigner , Ernst Ruska , Gerhard Ertl . Wikipedia.

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Nising C.F.,Bayer AG | Brase S.,Fritz Haber Institute
Chemical Society Reviews | Year: 2012

Oxa-Michael reactions, i.e. addition reactions of oxygen nucleophiles to conjugated systems, have traditionally received much less attention from the scientific community compared to the addition of carbon nucleophiles to conjugate acceptor systems (Michael reaction). This was mainly due to lack of reactivity and selectivity of these reactions. Within the last few years however, there has been a remarkable increase in publications focussing on method development as well as applications to natural product synthesis. This tutorial review discusses instructive examples that have substantially broadened the scope of oxa-Michael reactions. © 2012 The Royal Society of Chemistry.

Hafner A.,Fritz Haber Institute | Brase S.,Fritz Haber Institute
Angewandte Chemie - International Edition | Year: 2012

A silver key to add CF 3: In presence of in situ generated AgCF 3, it is possible to trifluoromethylate aromatic triazenes in high ortho selectivity and good yields by means of a C-H substitution (see scheme). Owing to the further transformation possibilities offered by triazenes, a variety of CF 3-substituted building blocks are then accessible. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Schlcg R.,Fritz Haber Institute
ChemSusChem | Year: 2010

Chemistry with its key targets of providing materials and processes for conversion of matter is at the center stage of the energy challenge. Most energy conversion systems work on (bio)chemical energy carriers and require for their use suitable process and material solutions. The enormous scale of their application demands optimization beyond the incremental improvement of empirical discoveries. Knowledge-based systematic approaches are mandatory to arrive at scalable and sustainable solutions. Chemistry for energy, "ENERCHEM" contributes in many ways already today to the use of fossil energy carriers. Optimization of these processes exemplified by catalysis for fuels and chemicals production or by solid-state lightning can contribute in the near future substantially to the dual challenge of energy use and climate protection being in fact two sides of the same challenge. The paper focuses on the even greater role that ENERCHEM will have to play in the era of renewable energy systems where the storage of solar energy in chemical carries and batteries is a key requirement. A multidisciplinary and diversified approach is suggested to arrive at a stable and sustainable system of energy conversion processes. The timescales for transformation of the present energy scenario will be decades and the resources will be of global economic dimensions. ENERCHEM will have to provide the reliable basis for such technologies based on deep functional understanding. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gobre V.V.,Fritz Haber Institute | Tkatchenko A.,Fritz Haber Institute
Nature Communications | Year: 2013

Van der Waals interactions have a fundamental role in biology, physics and chemistry, in particular in the self-assembly and the ensuing function of nanostructured materials. Here we utilize an efficient microscopic method to demonstrate that van der Waals interactions in nanomaterials act at distances greater than typically assumed, and can be characterized by different scaling laws depending on the dimensionality and size of the system. Specifically, we study the behaviour of van der Waals interactions in single-layer and multilayer graphene, fullerenes of varying size, single-wall carbon nanotubes and graphene nanoribbons. As a function of nanostructure size, the van der Waals coefficients follow unusual trends for all of the considered systems, and deviate significantly from the conventionally employed pairwise-additive picture. We propose that the peculiar van der Waals interactions in nanostructured materials could be exploited to control their self-assembly. © 2013 Macmillan Publishers Limited. All rights reserved.

Kuhlenbeck H.,Fritz Haber Institute | Shaikhutdinov S.,Fritz Haber Institute | Freund H.-J.,Fritz Haber Institute
Chemical Reviews | Year: 2013

The structure/morphology-reactivity relations of a variety of thin film systems, including mainly binary oxides and the effect of defects, as well as oxide supported oxide nanoparticles, is reviewed. The N1s spectrum of NO on NiO(100) exhibits two well-resolved peaks, while the O1s level cannot be separated from the substrate level. Because the N1s states of NO on NiO(100) and epitaxially grown NiO(100)/Ni(100) are rather similar and the coverages do not differ very much, it may be concluded that the adsorption on the epitaxial layer is not dominated by adsorption on defects. Structural characterization of the catalysts, performed primarily using Raman and UV/vis spectroscopy, has been used to postulate that vanadia catalysts consist of isolated and polymer structures that wet the supporting oxide.

Shaikhutdinov S.,Fritz Haber Institute | Freund H.-J.,Fritz Haber Institute
Advanced Materials | Year: 2013

This paper critically reviews the experimental and theoretical studies on the growth of ultrathin silica films onto metal single crystal substrates reported to date. The silica films on Mo(112) and Ru(0001) are discussed in more detail to demonstrate the key roles of the multi-technique approach and interplay between experiment and theory in the quest for understanding the atomic structure of the films. The results show the structural complexity and diversity of silica overlayers on metals, providing further information towards our understanding of the atomic structure, structural dynamics and physical and chemical properties of silica and related materials. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ertl G.,Fritz Haber Institute
Angewandte Chemie - International Edition | Year: 2013

Scratching the surface: For over 100 years the interactions of molecules at surfaces have been studied at the Fritz Haber Institute of the Max Planck Society, Berlin. Nobel Laureate Gerhard Ertl looks back at some of the key developments in this time, and the people who made them. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kronik L.,Weizmann Institute of Science | Tkatchenko A.,Fritz Haber Institute
Accounts of Chemical Research | Year: 2014

Molecular crystals are ubiquitous in many areas of science and engineering, including biology and medicine. Until recently, our ability to understand and predict their structure and properties using density functional theory was severely limited by the lack of approximate exchange-correlation functionals able to achieve sufficient accuracy. Here we show that there are many cases where the simple, minimally empirical pairwise correction scheme of Tkatchenko and Scheffler provides a useful prediction of the structure and properties of molecular crystals.After a brief introduction of the approach, we demonstrate its strength through some examples taken from our recent work. First, we show the accuracy of the approach using benchmark data sets of molecular complexes. Then we show its efficacy for structural determination using the hemozoin crystal, a challenging system possessing a wide range of strong and weak binding scenarios. Next, we show that it is equally useful for response properties by considering the elastic constants exhibited by the supramolecular diphenylalanine peptide solid and the infrared signature of water libration movements in brushite. Throughout, we emphasize lessons learned not only for the methodology but also for the chemistry and physics of the crystals in question.We further show that in many other scenarios where the simple pairwise correction scheme is not sufficiently accurate, one can go beyond it by employing a computationally inexpensive many-body dispersive approach that results in useful, quantitative accuracy, even in the presence of significant screening and/or multibody contributions to the dispersive energy. We explain the principles of the many-body approach and demonstrate its accuracy for benchmark data sets of small and large molecular complexes and molecular solids. © 2014 American Chemical Society.

Asmis K.R.,Fritz Haber Institute
Physical Chemistry Chemical Physics | Year: 2012

This article summarizes the methodological progress that has been made in the vibrational spectroscopy of isolated polynuclear metal oxide clusters, with particular emphasis on free electron laser-based infrared action spectroscopy of gas phase clusters, over the last decade. The possibilities, limitations and prospects of the various experimental approaches are discussed using representative examples from pivotal studies in the field. © 2012 the Owner Societies.

Gao W.,Fritz Haber Institute | Tkatchenko A.,Fritz Haber Institute
Physical Review Letters | Year: 2015

The interlayer sliding potential of multilayered hexagonal boron nitride (h-BN) and graphene is investigated using density-functional theory including many-body van der Waals (vdW) interactions. We find that interlayer sliding constraints can be employed to tune the contribution of electrostatic interactions and dispersive forces to the sliding energy profile, ultimately leading to different sliding pathways in these two materials. In this context, vdW interactions are found to contribute more to the interlayer sliding potential of polar h-BN than they do in nonpolar graphene. In particular, the binding energy, the interlayer distance, and the friction force are found to depend sensitively on the number of layers. By comparing with the experimental findings, we identify sliding pathways which rationalize the observed reduced friction for thicker multilayers and provide quantitative explanation for the anisotropy of the friction force. © 2014 Published by the American Physical Society.

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