Publikationen des Fritz-Haber-Instituts (2001-)

Zeitschriftenartikel (7822)

2022
Zeitschriftenartikel
Aggoune, W., A. Eljarrat, D. Nabok, K. Irmscher, M. Zupancic, Z. Galazka, M. Albrecht, C. Koch und C. Draxl: A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment. Communications Materials 3, 12 (2022).
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Ahsan, M.A., T. He, J.C. Noveron, K. Reuter, A.R. Puente-Santiago und R. Luque: Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society Reviews 51 (3), 812–828 (2022).
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Akay, Ö., J. Poon, C. Robertson, F.F. Abdi, B. Roldan Cuenya, M. Giersig und K. Brinkert: Releasing the Bubbles: Nanotopographical Electrocatalyst Design for Efficient Photoelectrochemical Hydrogen Production in Microgravity Environment. Advanced Science 9 (8), 2105380 (2022).
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Arrigo, R., R. Blume, A.I. Large, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke und G. Held: Dynamics over a Cu-graphite electrode during the gas-phase CO2 reduction investigated by APXPS. Faraday Discussions 236, 126–140 (2022).
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Arrigo, R., R. Blume, V. Streibel, C. Genovese, A. Roldan, M.E. Schuster, C. Ampelli, S. Perathoner, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, R. Schlögl und G. Centi: Dynamics at Polarized Carbon Dioxide-Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation. ACS Catalysis 12 (1), 411–430 (2022).
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Balos, V., T. Garling, A. Diaz Duque, B. John, M. Wolf und M. Thämer: Phase-Sensitive Vibrational Sum and Difference Frequency-Generation Spectroscopy Enabling Nanometer-Depth Profiling at Interfaces. The Journal of Physical Chemistry C 126 (26), 10818–10832 (2022).
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Balos, V., N.K. Kaliannan, H. Elgabarty, M. Wolf, T.D. Kühne und M. Sajadi: Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water. Nature Chemistry 14 (9), 1031–1037 (2022).
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Barreto, J., R. Caetano, M.I. Ramos, A. Alí, G. Félix, E. Annese, N. Nilius, H.-J. Freund, B.S. Archanjo, C.A. Achete, P.S. Bagus und F. Stavale: Core-level binding energy shifts between interior, terrace and edge atoms in MnO(001) thin films. Surface Science 725, 122159 (2022).
Zeitschriftenartikel
Bauer, M.N., M.I.J. Probert und C. Panosetti: Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions. The Journal of Physical Chemistry A 126 (19), 3043–3056 (2022).
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Beinlich, S., N. Hörmann und K. Reuter: Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes? ACS Catalysis 12 (10), 6143–6148 (2022).
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Bierhance, G., A. Markou, O. Gückstock, S.M. Rouzegar, Y. Behovits, A. Chekhov, M. Wolf, T. Seifert, C. Felser und T. Kampfrath: Spin-voltage-driven efficient terahertz spin currents from the magnetic Weyl semimetals Co2MnGa and Co2MnAl. Applied Physics Letters 120 (8), 082401 (2022).
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Boeri, L., R.G. Hennig, P.J. Hirschfeld, G. Profeta, A. Sanna, E. Zurek, W.E. Pickett, M. Amsler, R. Dias, M. Eremets, C. Heil, R. Hemley, H. Liu, Y. Ma, C. Pierleoni, A. Kolmogorov, N. Rybin, D. Novoselov, V.I. Anisimov, A.R. Oganov, C.J. Pickard, T. Bi, R. Arita, I. Errea, C. Pellegrini, R. Requist, E.K.U. Gross, E.R. Margine, S.R. Xie, Y. Quan, A. Hire, L. Fanfarillo, G.R. Stewart, J.J. Hamlin, V. Stanev, R.S. Gonnelli, E. Piatti, D. Romanin, D. Daghero und R. Valenti: The 2021 Room-Temperature Superconductivity Roadmap. Journal of Physics: Condensed Matter 34 (18), 183002 (2022).
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Boix, V., W. Xu, G. D’Acunto, J. Stubbe, T. Gallo, M.D. Strømsheim, S. Zhu, M. Scardamaglia, A. Shavorskiy, K. Reuter, M. Andersen und J. Knudsen: Graphene as an Adsorption Template for Studying Double Bond Activation in Catalysis. The Journal of Physical Chemistry C 126 (33), 14116–14124 (2022).
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Boll, R., J.M. Schäfer, B. Richard, K. Fehre, G. Kastirke, Z. Jurek, M.S. Schöffler, M.M. Abdullah, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A.D. Fanis, R. Dörner, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, L. Inhester, C. Janke, R. Jin, M. Kircher, K. Kubicek, M. Kunitski, X. Li, T. Mazza, S. Meister, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, C. Passow, A. Pier, N. Rennhack, J. Rist, D.E. Rivas, D. Rolles, I. Schlichting, L.P.H. Schmidt, P. Schmidt, J. Siebert, N. Strenger, D. Trabert, F. Trinter, I. Vela-Perez, R. Wagner, P. Walter, M. Weller, P. Ziolkowski, S.-K. Son, A. Rudenko, M. Meyer, R. Santra und T. Jahnke: X-ray multiphoton-induced Coulomb explosion images complex single molecules. Nature Physics 18 (4), 423–428 (2022).
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Brooks, A., S.J. Jenkins, S. Wrabetz, J. McGregor und M. Sacchi: The dehydrogenation of butane on metal-free graphene. Journal of Colloid and Interface Science 619, 377–387 (2022).
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Brösigke, G., J.-U. Repke, R. Schomäcker und S. Matera: The closer the better? Theoretical assessment of the impact of catalytic site separation for bifunctional core-shell catalyst particles. Chemical Engineering Journal 446 (1), 136891 (2022).
Zeitschriftenartikel
Burson, K.M., H.J. Yang, D.S. Wall, T. Marsh, Z. Yang, D. Kuhness, M. Brinker, L. Gura, M. Heyde, W.-D. Schneider und H.-J. Freund: Mesoscopic Structures and Coexisting Phases in Silica Films. The Journal of Physical Chemistry C 126 (7), 3736–3742 (2022).
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Carbogno, C., K.S. Thygesen, B. Bieniek, C. Draxl, L.M. Ghiringhelli, A. Gulans, O.T. Hofmann, K.W. Jacobsen, S. Lubeck, J.J. Mortensen, M. Strange, E. Wruss und M. Scheffler: Numerical quality control for DFT-based materials databases. npj Computational Materials 8, 69 (2022).
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Carlomagno, I., P. Zeller, M. Amati, G. Aquilanti, E. Prenesti, G. Marussi, G. Crosera und M. Adami: Combining synchrotron radiation techniques for the analysis of gold coins from the Roman Empire. Scientific Reports 12 (1), 15919 (2022).
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Chakraborty, A., T. Brumme, S. Schmahl, H. Weiske, C. Baldauf und K.R. Asmis: Impact of anion polarizability on ion pairing in microhydrated salt clusters. Chemical Science 13 (44), 13187–13200 (2022).
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Chee, S.W. und B. Roldan Cuenya: 2022 Roadmap on Low Temperature Electrochemical CO2 Reduction: Mechanistic insight into the electrocatalytic reduction of CO2 via operando spectroscopy and microscopy methods. Journal of Physics: Energy 4 (4), 042003 (2022).
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Chen, D., M. Barreau, S. Turczyniak-Surdacka c, K. Sobczak, M. Strawski, A.L.G.L. Salle, A. Efimenko, D. Teschner, C. Petit und S. Zafeiratos: Ceria nanoparticles as promoters of CO2 electroreduction on Ni/YSZ: An efficient preparation strategy and insights into the catalytic promotion mechanism. Nano Energy 101, 107564 (2022).
Zeitschriftenartikel
Chen, K., C. Kunkel, K. Reuter und J. Margraf: Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening. Digital Discovery 1 (2), 147–157 (2022).
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Cherasse, M., J. Dong, G. Trippé-Allard, E. Deleporte, D. Garrot, S.F. Maehrlein, M. Wolf, Z. Chen, E. Papalazarou, M. Marsi, J.-P. Rueff, A. Taleb-Ibrahimi und L. Perfetti: Electron Dynamics in Hybrid Perovskites Reveal the Role of Organic Cations on the Screening of Local Charges. Nano Letters 22 (5), 2065–2069 (2022).
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Choudhury, S.H., Y. Ding, Y. Yi, C. Rohner, W. Frandsen, T. Lunkenbein, M. Greiner, R. Schlögl und S. Heumann: Oxidation Behavior of Glassy Carbon in Acidic Electrolyte. ChemElectroChem 9 (20), e202200637 (2022).
Zeitschriftenartikel
Cirera, B., Y. Litman, C. Lin, A. Akkoush, A. Hammud, M. Wolf, M. Rossi und T. Kumagai: Charge Transfer-Mediated Dramatic Enhancement of Raman Scattering upon Molecular Point Contact Formation. Nano Letters 22 (6), 2170–2176 (2022).
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Cirera, B., M. Wolf und T. Kumagai: Joule Heating in Single-Molecule Point Contacts Studied by Tip-Enhanced Raman Spectroscopy. ACS Nano, im Druck.
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Codeço, C.F.S., A. Klyushin, E. Carbonio, A. Knop-Gericke, R. Schlögl, T. Jones und T.C.R. Rocha: Insights into the electronic structure of hydroxyl on Ag(110) under near ambient conditions. Physical Chemistry Chemical Physics 24 (15), 8832–8838 (2022).
Zeitschriftenartikel
Credidio, B., M. Pugini, S. Malerz, F. Trinter, U. Hergenhahn, I. Wilkinson, S. Thürmer und B. Winter: Quantitative electronic structure and work-function changes of liquid water induced by solute. Physical Chemistry Chemical Physics 24 (3), 1310–1325 (2022).
Zeitschriftenartikel
Credidio, B., M. Pugini, S. Malerz, F. Trinter, U. Hergenhahn, I. Wilkinson, S. Thürmer und B. Winter: Front cover: Quantitative electronic structure and work-function changes of liquid water induced by solute. Physical Chemistry Chemical Physics 24 (3), 1205–1205 (2022).
Zeitschriftenartikel
Cretu, M.T., M. Mirahmadi und J. Pérez-Ríos: Ion-atom-atom three-body recombination in cold hydrogen and deuterium plasmas. Physical Review A 106 (2), 023316 (2022).
Zeitschriftenartikel
Cui, W., Y. Xu, G. Luo, Q. Zhang und Z. Li: Simultaneous catalytic oxidation of nitric oxide and elemental mercury over Cu-Fe binary oxide treated by oxygen non-thermal plasma. Fuel 330, 123895 (2022).
Zeitschriftenartikel
Daems, N., D. Choukroun, P. Merino, C. Rettenmaier, L. Pacquets, A. Bergmann, G. Santoro, L. Vázquez, L. Martínez, B. Roldan Cuenya, J.A. Martín Gago und T. Breugelmans: Steering Hydrocarbon Selectivity in CO2 Electroreduction over Soft-Landed CuOx Nanoparticle-Functionalized Gas Diffusion Electrodes. ACS Applied Materials and Interfaces 14 (2), 2691–2702 (2022).
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Debnath, S., M. Jorewitz, K.R. Asmis, F. Müller, J. Stückrath, F.A. Bischoff und J. Sauer: Infrared Photodissociation Spectroscopy of (Al2O3)2-5FeO+: Influence of Fe-Substitution on Small Alumina Clusters. Physical Chemistry Chemical Physics 24 (35), 20913–20920 (2022).
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Deimel, M., H. Prats, M. Seibt, K. Reuter und M. Andersen: Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts. ACS Catalysis 12 (13), 7907–7917 (2022).
Zeitschriftenartikel
Doppelbauer, M., S. Wright, S. Hofsäss, B.G. Sartakov, G. Meijer und S. Truppe: Hyperfine resolved optical spectroscopy of the A2Π ←X2Σ+ transition in MgF. The Journal of Chemical Physics 156 (13), 134301 (2022).
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Dupuy, R., J. Filser, C. Richter, R. Seidel, F. Trinter, T. Buttersack, C. Nicolas, J. Bozek, U. Hergenhahn, H. Oberhofer, B. Winter, K. Reuter und H. Bluhm: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 24 (8), 4796–4808 (2022).
Zeitschriftenartikel
Fehre, K., N.M. Novikovskiy, S. Grundmann, G. Kastirke, S. Eckart, F. Trinter, J. Rist, A. Hartung, D. Trabert, C. Janke, M. Pitzer, S. Zeller, F. Wiegandt, M. Weller, M. Kircher, G. Nalin, M. Hofmann, L.P.H. Schmidt, A. Knie, A. Hans, L.B. Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, J.B. Williams, T. Jahnke, R. Dörner, P.V. Demekhin und M.S. Schöffler: A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase. Physical Chemistry Chemical Physics 24 (43), 26458–26465 (2022).
Zeitschriftenartikel
Fehre, K., F. Trinter, N.M. Novikovskiy, S. Grundmann, D. Tsitsonis, S. Eckart, L. Bauer, M. Hilzinger, T. Jahnke, R. Dörner, P.V. Demekhin und M.S. Schöffler: Influence of the emission site on the photoelectron circular dichroism in trifluoromethyloxirane. Physical Chemistry Chemical Physics 24 (22), 13597–13604 (2022).
Zeitschriftenartikel
Felsen, F., K. Reuter und C. Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 433 (1), 134121 (2022).
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Filser, J., K. Reuter und H. Oberhofer: Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of Chemical Theory and Computation 18 (1), 461–478 (2022).
Zeitschriftenartikel
Folke, J., K. Dembélé, F. Girgsdies, H. Song, R. Eckert, S. Reitmeier, A. Reitzmann, R. Schlögl, T. Lunkenbein und H. Ruland: Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today 387, 12–22 (2022).
Zeitschriftenartikel
Foppa, L. und L.M. Ghiringhelli: Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis 65 (1-4), 196–206 (2022).
Zeitschriftenartikel
Foppa, L. und L.M. Ghiringhelli: Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis 65 (1-4), 207–207 (2022).
Zeitschriftenartikel
Foppa, L., T. Purcell, S.V. Levchenko, M. Scheffler und L.M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. Physical Review Letters 129 (5), 0545301 (2022).
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Foppa, L., C.A. Sutton, L.M. Ghiringhelli, S. De, P. Löser, S.A. Schunk, A. Schäfer und M. Scheffler: Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis 12 (4), 2233–2232 (2022).
Zeitschriftenartikel
Friedrich, B.: Electro-optical trap for polar molecules. Physical Review A 105 (5), 053126 (2022).
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Ghafari, A., W. Khan und C. Janowitz: Electronic structure and engineered thermoelectric properties of SnSe. Physica B 630, 413668 (2022).
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Ghampson, I.T., S.-T.B. Lundin, V. Vargheese, Y. Kobayashi, G. Huff, R. Schlögl, A. Trunschke und S.T. Oyama: Methane selective oxidation on metal oxide catalysts at low temperatures with O2 using an NO/NO2 oxygen atom shuttle. Journal of Catalysis 408, 401–412 (2022).
Zeitschriftenartikel
Gierster, L., S. Vempati und J. Stähler: Ultrashort and metastable doping of the ZnO surface by photoexcited defects. Faraday Discussions 237, 58–79 (2022).
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