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Research Highlights




AIMD Simulation
© 2020 ACS Catalysis
MAPEX Research Highlights|

What Changes on the Inverse Catalyst? Insights from CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

Yong Li, Shikun Li, Marcus Bäumer, Elena A. Ivanova-Shor, Lyudmila V. Moskaleva

ACS Catalysis (2020) 10, 3164-3174

Gold-supported ceria nanoparticles (CeOx/Au), constituting an inverse system with respect to the more commonly studied ceria-supported gold…

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nsCouette – A high-performance code for direct numerical simulations of turbulent Taylor–Couette flow
© 2020 Software X
MAPEX Research Highlights|

nsCouette – A high-performance code for direct numerical simulations of turbulent Taylor–Couette flow

Jose Manuel Lopez, Daniel Feldmann, Markus Rampp, Alberto Vela-Martin, Liang Shi, Marc Avila

Software X (2020) 11, 100395

We present nsCouette, a highly scalable software tool to solve the Navier–Stokes equations for incompressible fluid flow between…

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© 2020 Desalination
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Lithium recovery from diluted brine by means of electrochemical ion exchange in a flow-through-electrodes cell

Maria Sofia Palagonia, Doriano Brogioli, Fabio La Mantia

Desalination (2020) 475, 114192

DOI: 10.1016/j.desal.2019.114192

Lithium is becoming an important raw material due to the expansion of the market of lithium-ion batteries, required for electric vehicles and for stationary energy storage.…

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Scheme of the applied PFG-STE sequence
© 2020 Chemical Engineering Journal
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Pore-Scale Analysis of Axial and Radial Dispersion Coefficients of Gas Flow in Macroporous Foam Monoliths Using NMR-based Displacement Measurements

Mojtaba Mirdrikvand, Mehrdad Sadeghi, M. Nurul Karima, Jörg Thöming, Wolfgang Dreher

Chemical Engineering Journal (2020) 388 124234

A micro-scale analysis of mass transport in ceramic foams that are used as catalyst supports in gas phase reactions is of…

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Model‐Based Nanoengineered Pharmacokinetics of Iron‐Doped Copper Oxide for Nanomedical Applications
© 2020 Angewandte Chemie - International Edition
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Model-Based Nanoengineered Pharmacokinetics of Iron-Doped Copper Oxide for Nanomedical Applications

M. Sc. Hendrik Naatz, Dr. Bella B. Manshian, Dr. Carla Rios Luci, Dr. Vasiliki Tsikourkitoudi, Prof. Dr. Yiannis Deligiannakis, Dr. Johannes Birkenstock, Dr. Suman Pokhrel, Prof. Dr. Lutz Mädler, Dr. Stefaan J. Soenen

Angewandte Chemie - International Edition (2020) 59, 1828-1836…

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ACS Applied Nano Materials
© 2020 ACS Applied Nano Materials
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Rare-Earth-Doped Y4Al2O9 Nanoparticles for Stable Light-Converting Phosphors

Chenyang Liu, Suman Pokhrel, Christian Tessarek, Haipeng Li, Marco Schowalter, Andreas Rosenauer, Martin Eickhoff, Shuiqing Li, Lutz Mädler

ACS Applied Nano Materials (2020) 3, 699-710.

The ternary mixed metal oxides with high specific surface area are…

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is(ferrocenyl)phosphenium Ion Revisited
© 2020 Angewandte Chemie- International Edition
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The Bis(ferrocenyl)phosphenium Ion Revisited

Dr. Marian Olaru, Alexandra Mischin, Lorraine A. Malaspina, Dr. Stefan Mebs, Prof. Dr. Jens Beckmann

Angewandte Chemie-International Edition (2020) 59, 1581-1584

The bis(ferrocenyl)phosphenium ion, [Fc2P]+, reported by Cowley et al. (J. Am. Chem. Soc. 1981,…

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© 2019 American Chemical Society
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Quantum-Dot-Like States in Molybdenum Disulfide Nanostructures Due to the Interplay of Local Surface Wrinkling, Strain, and Dielectric Confinement

Carmesin, C., Lorke, M., Florian, M., Erben, D., Schulz, A., WehlingT. O., Jahnke, F.

Nano Letters (2019) 19, 5,3182-3186

The observation of quantum light emission from atomically thin transition metal dichalcogenides has opened a new field of…

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© 2019 Elsevier B.V.
MAPEX Research Highlights|

Mixed copper-zinc hexacyanoferrates as cathode materials for aqueous zinc-ion batteries

Kasiri, G., Glenneberg, J., Bani Hashemi, A., Kun, R., La Mantia, F.

Energy Storage Materials (2019), 19, 360-369

Aqueous rechargeable metal-ion batteries have become potentially advantageous for the integration of renewable energy sources into the…

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© 2019 American Chemical Society
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The Floppiness of It All: Bond Lengths Change with Atomic Displacement Parameters and the Flexibility of Various Coordination Tetrahedra in Zeolitic Frameworks. An Empirical Structural Study of Bond Lengths and Angles

Baur, W.H., Fischer, R.X.

Chemistry of Materials (2019) 31 (7), 2401-2420.

We have evaluated more than 7000 crystal structures of zeolites in terms of the values of their bond-lengths T-O (T = Si, Al, P, Zn, Be, Ge, B, As, Ga, Co) and their…

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© 2018 Elsevier Ltd. All rights reserved.
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Investigations on morphological and electrochemical changes of all-solid-state thin film battery cells under dynamic mechanical stress conditions

Glenneberg, J., Kasiri, G., Bardenhagen, I.,  Mantia, F. La., Busse, M., Kun, R.

Nano Energy (2019) 57, 549-557.

To design and manufacture high-performance energy storage devices with real mechanical flexibility is one of the main advantages of the…

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© 2019 Elsevier B.V.
News no.: 68 | MAPEX Research Highlights|

New approach to evaluate 3D laser printed parts in powder bed fusion-based additive manufacturing in-line within closed space

Kalms, M., Narita, R., Thomy, C., Vollertsen, F., Bergmann, R.B.

Additive Manufacturing(2019) 26,161-165.

Additive manufacturing that allows layer by layer shaping of complex structures is of rapidly increasing interest in production technology. A…

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News no.: 065 | MAPEX Research Highlights|

Pseudodoping of a metallic two-dimensional material by the supporting substrate

Shao, B., Eich, A., Sanders, C., Ngankeu, A. S., Bianchi, M., Hofmann, P.,  Khajetoorians, A. A., WehlingT.

Nature Communications (2019) 10, Article Number 180.

Charge transfers resulting from weak bondings between two-dimensional materials and the…

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© 2018 American Chemical Society
MAPEX Research Highlights|

Prospects and Limitations of Transition Metal Dichalcogenide Laser Gain Materials

Lohof, F., Steinhoff, A., Florian, M., Lorke, M., Erben, D., Jahnke, F., Gies, C.

Nano Letters (2019) 19 (1), 210-217.

Nanolasers operate with a minimal amount of active material and low losses. In this regime, single layers of transition-metal…

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© 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
News no.: 054 | MAPEX Research Highlights|

Generation of High‐Molecular‐Weight Polymers with Diverse Substituents: An Unusual Metal‐Free Synthesis of Poly(aminoborane)s

A. Staubitz

Angewandte Chemie International Edition (2018) 57, 5990-5992.

A new concept has been introduced for the preparation of high‐molecular‐weight poly(aminoborane)s with diverse substituents on the nitrogen atom. Whereas previous methods were…

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© 2018 Elsevier Ltd. All rights reserved
News no.: 053 | MAPEX Research Highlights|

Investigation of the temperature dependent impact behaviour of pin reinforced foam core sandwich structures

M. A. Dimassi, M. John, A. S.Herrmann

Composite Structures (2018) 198, in press.

Dry carbon and glass fibre bundles were inserted into a ROHACELL® 71HERO Polymethacrylimide (PMI) foam core under a specific inclination angle and pin pattern in order…

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© 2018 American Chemical Society
News no.: 052 | MAPEX Research Highlights|

The Dielectric Impact of Layer Distances on Exciton and Trion Binding Energies in van der Waals Heterostructures

M. Florian, M. Hartmann, A. Steinhoff, J. Klein , A.W. Holleitner , J. J. Finley, T. O. Wehling, M. Kaniber, C. Gies

Nano letters (2018) 18(4), 2725–2732.

The electronic and optical properties of monolayer transition-metal dichalcogenides (TMDs) and van…

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© 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
News no.: 051 | MAPEX Research Highlights|

A Monoaryllead Trichloride That Resists Reductive Elimination

M. Olaru, R. Kather, E.Hupf, E.Lork, S.Mebs, J. Beckmann

Journal: Angewandte Chemie (2018) 57, 5917-5920 .

Transmetallation of Pb(OAc)4 with R2Hg (1), followed by treatment with HCl in Et2O, provided RPbCl3 (2), the first kinetically stabilized…

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© Nat. Commun.
News no.: 050 | MAPEX Research Highlights|

A quantum optical study of thresholdless lasing features in high-β nitride nanobeam cavities

Stefan T. Jagsch, Noelia Vico Triviño, Frederik Lohof, Gordon Callsen, Stefan Kalinowski, Ian M. Rousseau, Roy Barzel, Jean-François Carlin, Frank Jahnke, Raphaël Butté, Christopher Gies, Axel Hoffmann, Nicolas Grandjean and Stephan Reitzenstein.

Nature Communications(2018) 9, article number: 564.

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© Nat. Commun.
News no.: 046 | MAPEX Research Highlights|

Exciton fission in monolayer transition metal dichalcogenide semiconductors

A. Steinhoff, M. Florian, M. Rösner, G. Schönhoff, T.O. Wehling and F. Jahnke.

Nature Communications (2017) 8, 1166.

When electron-hole pairs are excited in a semiconductor, it is a priori not clear if they form a plasma of unbound fermionic particles…

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News no.: 049 | MAPEX Research Highlights|

Pulsating dissolution of crystalline matter

C. Fischer, A. Luttge

Proceedings of the National Academy of Science of the United States of America (2018) 115, 5 Pages 897-902.

Fluid–solid reactions result in material flux from or to the solid surface. The prediction of the flux, its variations, and…

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© Nature Physics
News no.: 048 | MAPEX Research Highlights|

Destabilizing turbulence in pipe flow

J. Kühnen, B. Song, D. Scarselli, N. Burak Budanur, M. Riedl, A. P. Willis, M. Avila, B. Hof

Nature Physics (2018) 14, 386-390.

Turbulence is the major cause of friction losses in transport processes and it is responsible for a drastic drag increase in…

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© Sens. Actuators B
News no.: 045 | MAPEX Research Highlights|

Long-term storage of droplets on a chip by Parylene AF4 coating of channels

Mahmuda Akhtar, Sander van den Driesche, André Bödecker and Michael J. Vellekoop.

Sensors and Actuators B (2018) 255, 3576–3584.

We present a PDMS-based microfluidic device that allows long-term on-chip droplets storage. The droplets are used as…

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© 2017 Elsevier B.V.
News no.: 046 | MAPEX Research Highlights|

Fabrication and performance of Li4Ti5O12/C Li-ion battery electrodes using combined double flame spray pyrolysis and pressure-based lamination technique

Authors:M. Gockeln, S. Pokhrel, F. Meierhofer, J. Glenneberg, M. Schowalter, A. Rosenauer, U. Fritsching, M. Busse, L. Mädler, R. Kun

Journal of Power Sources (2018) 374, 97-106.

Reduction of lithium-ion battery (LIB) production costs is inevitable…

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