Publikationen

Fritz-Haber-Institut der Max-Planck-Gesellschaft

Zeitschriftenartikel (8648)

2021

Zeitschriftenartikel

Ulrich, V., B. Moroz, P. Pyrjaev, I. Sinev, A. Bukhtiyarov, E. Gerasimov, V. Bukhtiyarov, B. Roldan Cuenya und W. Grünert: Three-way catalysis with bimetallic supported Pd-Au catalysts: Gold as a poison and as a promotor. Applied Catalysis B 282, 119614 (2021).

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Vanbuel, J., P. Ferrari, M. Jia, A. Fielicke und E. Janssens: Argon tagging of doubly transition metal doped aluminum clusters: The importance of electronic shielding. The Journal of Chemical Physics 154 (5), 054312 (2021).

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Zeitschriftenartikel

Varano, C.: Elmar Zeitler: A Rigorous and Jovial Physicist: March 12, 1927–December 19, 2020. Microscopy Today 23 (3), 66–67 (2021).

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Várnai, B., M. Grabarics, Z. Szakács, K. Pagel, M. Malanga, T. Sohajda und S. Béni: Structural characterization of fondaparinux interaction with per-6-amino-beta-cyclodextrin: An NMR and MS study. Journal of Pharmaceutical and Biomedical Analysis 197, 113947 (2021).

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Veerapandian, S., W. Jang, J.B. Seol, H. Wang, M. Kong, K. Thiyagarajan, J. Kwak, G. Park, G. Lee, W. Suh, I. You, M.E. Kılıç, A. Giri, L. Beccai, A. Soon und U. Jeong: Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines. Nature Materials 20 (4), 533–540 (2021).

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Zeitschriftenartikel

Velasco Vélez, J., E. Carbonio, C.-H. Chuang, C.-J. Hsu, J.-F. Lee, R. Arrigo, M. Hävecker, R. Wang, M. Plodinec, F.R. Wang, A. Centeno, A. Zurutuza, L. Falling, R. Mom, S. Hofmann, R. Schlögl, A. Knop-Gericke und T. Jones: Surface Electron-Hole Rich Species Active in the Electrocatalytic Water Oxidation. Journal of the American Chemical Society 143 (32), 12524–12534 (2021).

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supplementary-material

Zeitschriftenartikel

Velasco Vélez, J., L. Falling, D. Bernsmeier, M.J. Sear, P.C.J. Clark, T.S. Chan, E. Stotz, M. Hävecker, R. Kraehnert, A. Knop-Gericke, C.-H.C. Chuang, D.E. Starr, M. Favaro und R. Mom: A comparative study of electrochemical cells for in situ X-ray spectroscopies in the soft and tender X-ray range. Journal of Physics D 54 (12), 124003 (2021).

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Zeitschriftenartikel

Volykhov, A.A., A.S. Frolov, V.S. Neudachina, N.V. Vladimirova, E. Gerber, C. Callaert, J. Hadermann, N.O. Khmelevsky, A. Knop-Gericke, J. Sánchez-Barriga und L.V. Yashina: Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂. Applied Surface Science 541, 148490 (2021).

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Zeitschriftenartikel

Wang, H., S. Delacroix, A. Zieleniewska, J. Hou, N.V. Tarakina, D. Cruz, I. Lauermann, A.J. Ferguson, J.L. Blackburn und V. Strauss: In Situ Synthesis of Molybdenum Carbide Nanoparticles Incorporated into Laser-Patterned Nitrogen-Doped Carbon for Room Temperature VOC Sensing. Advanced Functional Materials 31 (46), 2104061 (2021).

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Zeitschriftenartikel

Wang, M., C.-Y. Zhao, H.-Y. Zhou, Y. Zhao, Y. Li und J.-B. Ma: The sequential activation of H₂ and N₂ mediated by the gas-phase Sc₃N⁺ clusters: Formation of amido unit. The Journal of Chemical Physics 154 (5), 054307 (2021).

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Zeitschriftenartikel

Wang, W., X. Liu und J. Pérez-Ríos: Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O₂ Activation on Ag₄ Clusters. The Journal of Physical Chemistry A 125 (25), 5670–5680 (2021).

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Zeitschriftenartikel

Wasyluk, Ł., V. Boiko, M. Markowska, M. Haisak, M.L. Saladino, D. Hreniak, N. Amati, L. Gregoratti, P. Zeller, D. Biały, J. Arkowski und M. Wawrzynska: Graphene Coating Obtained in a Cold-Wall CVD Process on the Co-Cr Alloy (L-605) for Medical Applications. International Journal of Molecular Sciences 22 (6), 2917 (2021).

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Zeitschriftenartikel

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie International Edition 60 (17), 9301–9305 (2021).

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Zeitschriftenartikel

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie 60 (17), 9387–9391 (2021).

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Zeitschriftenartikel

Wengert, S., G. Csányi, K. Reuter und J. Margraf: Data-efficient machine learning for molecular crystal structure prediction. Chemical Science 12 (12), 4536–4546 (2021).

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Zeitschriftenartikel

Windsor, Y.W., D. Zahn, R. Kamrla, J. Feldl, H. Seiler, C.-T. Chiang, M. Ramsteiner, W. Widdra, R. Ernstorfer und L. Rettig: Exchange-Striction Driven Ultrafast Nonthermal Lattice Dynamics in NiO. Physical Review Letters 126 (14), 147202 (2021).

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Zeitschriftenartikel

Xu, W., M. Andersen und K. Reuter: Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity. ACS Catalysis 11 (2), 734–742 (2021).

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Zeitschriftenartikel

Xu, Y., G. Luo, Q. Zhang, W. Cui, Z. Li und S. Zhang: Potential hazards of novel waste-derived sorbents for efficient removal of mercury from coal combustion flue gas. Journal of Hazardous Materials 412, 125226 (2021).

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Zeitschriftenartikel

Yagodkin, D., L. Nadvornik, O. Gückstock, C. Gahl, T. Kampfrath und K.I. Bolotin: Ultrafast photocurrents in MoSe₂ probed by terahertz spectroscopy. 2D Materials 8 (2), 025012 (2021).

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Zeitschriftenartikel

Yan, H., J. Lockhauserbäumer, G.P. Szekeres, A. Mallagaray, R. Creutznacher, S. Taube, T. Peters, K. Pagel und C. Uetrecht: Protein Secondary Structure Affects Glycan Clustering in Native Mass Spectrometry. Life 11 (6), 554 (2021).

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Zeitschriftenartikel

Yang, Y., Y. Li, Y.-X. Zhao, G.-P. Wei, Y. Ren, K.R. Asmis und S.-G. He: Catalytic Co-Conversion of CH₄ and CO₂ Mediated by Rhodium-Titanium Oxide Anions RhTiO₂^-. Angewandte Chemie International Edition 60 (25), 13788–13792 (2021).

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Zeitschriftenartikel

Yang, Y., Y. Li, Y.-X. Zhao, G.-P. Wei, Y. Ren, K.R. Asmis und S.-G. He: Gemeinsame katalytische Umsetzung von CH₄ und CO₂ durch Rhodium-Titanoxid-Anionen RhTiO₂^-. Angewandte Chemie 133 (25), 13907–13911 (2021).

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Zeitschriftenartikel

Yoo, S.-H., Y. Na, W. Hwang, W. Jang und A. Soon: First-Principles Calculations of Heteroanionic Monochalcogenide Alloy Nanosheets with Direction-dependent Properties for Anisotropic Optoelectronics. ACS Applied Nano Materials 4 (6), 5912–5920 (2021).

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Zeitschriftenartikel

Yoon, A., A. Herzog, P. Grosse, D.H. Alsem, S.W. Chee und B. Roldan Cuenya: Dynamic Imaging of Nanostructures in an Electrolyte with a Scanning Electron Microscope. Microscopy and Microanalysis 27 (1), 121–128 (2021).

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Zeitschriftenartikel

Zacharias, M., H. Seiler, F. Caruso, D. Zahn, F. Giustino, P.C. Kelires und R. Ernstorfer: Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids. Physical Review Letters 127 (20), 207401 (2021).

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Zeitschriftenartikel

Zacharias, M., H. Seiler, F. Caruso, D. Zahn, F. Giustino, P.C. Kelires und R. Ernstorfer: Multiphonon diffuse scattering in solids from first-principles: Application to layered crystals and two-dimensional materials. Physical Review B 104 (20), 205109 (2021).

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Zeitschriftenartikel

Zahn, D., F. Jakobs, Y.W. Windsor, H. Seiler, T. Vasileiadis, T.A. Butcher, Y. Qi, D. Engel, U. Atxitia, J. Vorberger und R. Ernstorfer: Lattice dynamics and ultrafast energy flow between electrons, spins, and phonons in a 3d ferromagnet. Physical Review Research 3 (2), 023032 (2021).

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Zeitschriftenartikel

Zahn, D., H. Seiler, Y.W. Windsor und R. Ernstorfer: Ultrafast lattice dynamics and electron-phonon coupling in platinum extracted with a global fitting approach for time-resolved polycrystalline diffraction data. Structural Dynamics 8 (6), 064301 (2021).

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Zeitschriftenartikel

Zeradjanin, A.R., J. Masa, I. Spanos und R. Schlögl: Activity and Stability of Oxides During Oxygen Evolution Reaction-From Mechanistic Controversies Toward Relevant Electrocatalytic Descriptors. Frontiers in Energy Research 8, 612092 (2021).

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Zeitschriftenartikel

Zeradjanin, A.R., P. Narangoda, I. Spanos, J. Masa und R. Schlögl: Expanding the frontiers of hydrogen evolution electrocatalysis-searching for the origins of electrocatalytic activity in the anomalies of the conventional model. Electrochimica Acta 388, 138583 (2021).

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Zeitschriftenartikel

Zeradjanin, A.R., P. Narangoda, I. Spanos, J. Masa und R. Schlögl: How to minimise destabilising effect of gas bubbles on water splitting electrocatalysts? Current Opinion in Electrochemistry 30, 100797 (2021).

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Zeitschriftenartikel

Zeradjanin, A.R., I. Spanos, J. Masa, M. Rohwerder und R. Schlögl: Perspective on experimental evaluation of adsorption energies at solid/liquid interfaces. Journal of Solid State Electrochemistry 25 (1), 33–42 (2021).

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Zeitschriftenartikel

Zhan, C., F. Dattila, C. Rettenmaier, A. Bergmann, S. Kühl, R. García-Muelas, N. Lopez und B. Roldan Cuenya: Revealing the CO Coverage Driven C-C Coupling Mechanism for Electrochemical CO₂ Reduction on Cu₂O Nanocubes via Operando Raman Spectroscopy. ACS Catalysis 11 (13), 7694–7701 (2021).

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Zeitschriftenartikel

Zhang, K., L. Li, J. Goniakowski, C. Noguera, H.-J. Freund und S.K. Shaikhutdinov: Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach. Journal of Catalysis 393, 100–106 (2021).

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Zeitschriftenartikel

Zhang, S., Y. Li, Z. Wang, Y. Tang, X. Huang, S.D. House, H. Huang, Y. Zhou, W. Shen, J. Yang, C. Wang, Y. Zhao, R. Schlögl, P. Hu und F. Tao: Coordination Number-Dependent Complete Oxidation of Methane on NiO Catalysts. ACS Catalysis 11 (15), 9837–9849 (2021).

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Zeitschriftenartikel

Zhong, J.Q., S.K. Shaikhutdinov und B. Roldan Cuenya: Structural Evolution of Ga-Cu Model Catalysts for CO₂ Hydrogenation Reactions. The Journal of Physical Chemistry C 125 (2), 1361–1367 (2021).

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Zeitschriftenartikel

Zhong, L., M. Barreau, V. Caps, V. Papaefthimiou, M. Hävecker, D. Teschner, W. Baaziz, E. Borfecchia, L. Braglia und S. Zafeiratos: Improving the Catalytic Performance of Cobalt for CO Preferential Oxidation by Stabilizing the Active Phase through Vanadium Promotion. ACS Catalysis 11 (9), 5369–5385 (2021).

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supplementary-material

Zeitschriftenartikel

Zhong, L., M. Barreau, D. Chen, V. Caps, M. Hävecker, D. Teschner, D.H. Simonne, E. Borfecchia, W. Baaziz, B. Šmíd und S. Zafeiratos: Effect of manganese promotion on the activity and selectivity of cobalt catalysts for CO preferential oxidation. Applied Catalysis B 297, 120397 (2021).

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supplementary-material

Zeitschriftenartikel

Zhou, J., Z. Han, X. Wang, H. Gai, Z. Chen, T. Guo, X. Hou, L. Xu, X. Hu, M. Huang, S.V. Levchenko und H. Jiang: Discovery of Quantitative Electronic Structure-OER Activity Relationship in Metal-Organic Framework Electrocatalysts Using an Integrated Theoretical-Experimental Approach. Advanced Functional Materials 31 (33), 2102066 (2021).

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Zeitschriftenartikel

Zwaschka, G., F. Lapointe, R.K. Campen und Y. Tong: Characterization of ultrafast processes at metal/solution interfaces: Towards femtoelectrochemistry. Current Opinion in Electrochemistry 29, 100813 (2021).

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2020

Zeitschriftenartikel

Ali, H., R. Golnak, R. Seidel, B. Winter und J. Xiao: In-Situ X-ray Spectroscopy of the Electric Double Layer around TiO₂ Nanoparticles Dispersed in Aqueous Solution: Implications for H₂ Generation. ACS Applied Nano Materials 3 (1), 264–273 (2020).

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Zeitschriftenartikel

Alldritt, B., P. Hapala, N. Oinonen, F. Urtev, O. Krejci, F.F. Canova, J. Kannala, F. Schulz, P. Liljeroth und A.S. Foster: Automated structure discovery in atomic force microscopy. Science Advances 6 (9), eaay6913 (2020).

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Zeitschriftenartikel

Amin, K.S., X. Hu, D.R. Salahub, C. Baldauf, C. Lim und S. Noskov: Benchmarking polarizable and non-polarizable force fields for Ca²⁺-peptides against a comprehensive QM dataset. The Journal of Chemical Physics 153 (14), 144102 (2020).

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Zeitschriftenartikel

Anke, S., T. Falk, G. Bendt, I. Sinev, M. Hävecker, H. Antoni, I. Zegkinoglou, H. Jeon, A. Knop-Gericke, R. Schlögl, B. Roldan Cuenya, S. Schulz und M. Muhler: On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation. Journal of Catalysis 382, 57–68 (2020).

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Antonyshyn, I., A.M. Barrios Jiménez, O. Sichevych, U. Burkhardt, I. Veremchuk, M. Schmidt, A. Ormeci, I. Spanos, A. Tarasov, D. Teschner, G. Algara-Siller, R. Schlögl und Y. Grin: Al₂Pt für die Sauerstoffentwicklungsreaktion bei der Wasserspaltung: eine Strategie zur Erzeugung von Multifunktionalität in der Elektrokatalyse. Angewandte Chemie 132 (38), 16913–16919 (2020).

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Zeitschriftenartikel

Antonyshyn, I., A.M. Barrios Jiménez, O. Sichevych, U. Burkhardt, I. Veremchuk, M. Schmidt, A. Ormeci, I. Spanos, A. Tarasov, D. Teschner, G. Algara-Siller, R. Schlögl und Y. Grin: Al₂Pt for Oxygen Evolution in Water Splitting: a Strategy for Creating Multi-functionality in Electrocatalysis. Angewandte Chemie International Edition 59 (38), 16770–16776 (2020).

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Aran Ais, R., R. Rizo, P. Grosse, G. Algara-Siller, K. Dembélé, M. Plodinec, T. Lunkenbein, S.W. Chee und B. Roldan Cuenya: Imaging electrochemically synthesized Cu₂O cubes and their morphological evolution under conditions relevant to CO₂ electroreduction. Nature Communications 11, 3489 (2020).

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Aran-Ais, R.M., F. Scholten, S. Kunze, R. Rizo und B. Roldan Cuenya: The role of in situ generated morphological motifs and Cu(I) species in C₂₊ product selectivity during CO₂ pulsed electroreduction. Nature Energy 5 (4), 317–325 (2020).

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Zeitschriftenartikel

Auer, A., M. Andersen, E.-M. Werning, N.G. Hörmann, N. Buller, K. Reuter und J. Kunze-Liebhäuser: Self-activation of copper electrodes during CO electro-oxidation in alkaline electrolyte. Nature Catalysis 3 (10), 797–803 (2020).

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Zeitschriftenartikel

Ayodele, O.B., S. Vinati, E. Barborini, L. Boddapati, K.E. Hajraoui, J. Kröhnert, F.L. Deepak, A. Trunschke und Y.V. Kolen'ko: Selectivity boost in partial hydrogenation of acetylene via atomic dispersion of platinum over ceria. Catalysis Science & Technology 10 (22), 7471–7475 (2020).

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