Publications | Fritz Haber Institute of the Max Planck Society

Fritz Haber Institute of the Max Planck Society

Journal Article (300)

2022

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Streibel, V., J. Velasco Vélez, D. Teschner, E. Carbonio, A. Knop-Gericke, R. Schlögl and T. Jones: Merging operando and computational X-ray spectroscopies to study the oxygen evolution reaction. Current Opinion in Electrochemistry 35, 101039 (2022).

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Szekeres, G.P., K. Pagel and Z. Heiner: Analytical challenges of glycosaminoglycans at biological interfaces. Analytical and Bioanalytical Chemistry 414 (1), 85–93 (2022).

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Tantardini, C., S. Kokott, X. Gonze, S.V. Levchenko and W.A. Saidi: “Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers. Applied Materials Today 26, 101380 (2022).

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Teale, A.M., T. Helgaker, A. Savin, C. Adamo, B. Aradi, A.V. Arbuznikov, P.W. Ayers, E.J. Baerends, V. Barone, P. Calaminici, E. Cancès, E.A. Carter, P.K. Chattaraj, H. Chermette, I. Ciofini, T.D. Crawford, F.D. Proft, J.F. Dobson, C. Draxl, T. Frauenheim, E. Fromager, P. Fuentealba, L. Gagliardi, G. Galli, J. Gao, P. Geerlings, N. Gidopoulos, P.M.W. Gill, P. Gori-Giorgi, A. Görling, T. Gould, S. Grimme, O. Gritsenko, H.J.A. Jensen, E.R. Johnson, R.O. Jones, M. Kaupp, A.M. Köster, L. Kronik, A.I. Krylov, S. Kvaal, A. Laestadius, M. Levy, M. Lewin, S. Liu, P.-F. Loos, N.T. Maitra, F. Neese, J.P. Perdew, K. Pernal, P. Pernot, P. Piecuch, E. Rebolini, L. Reining, P. Romaniello, A. Ruzsinszky, D.R. Salahub, M. Scheffler, P. Schwerdtfeger, V.N. Staroverov, J. Sun, E. Tellgren, D.J. Tozer, S.B. Trickey, C.A. Ullrich, A. Vela, G. Vignale, T.A. Wesolowski, X. Xu and W. Yang: DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics 24 (47), 28700–28781 (2022).

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Tesch, M.F., S.A. Bonke, R. Golnak, J. Xiao, A.N. Simonov and R. Schlögl: Vacuum compatible flow-cell for high-quality in situ and operando soft X-ray photon-in–photon-out spectroelectrochemical studies of energy materials. Electrochemical Science Advances 2 (6), e2100141 (2022).

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Thum, L., W. Riedel, N. Milojevic, C. Guan, A. Trunschke, K.-P. Dinse, T. Risse, R. Schomäcker and R. Schlögl: Transition-Metal-Doping of CaO as Catalyst for the OCM Reaction, a Reality Check. Frontiers in Chemistry 10, 768426 (2022).

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Timoshenko, J.: Spectroscopy predicts catalyst functionality. Nature Catalysis 5 (6), 469–470 (2022).

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Timoshenko, J., A. Bergmann, C. Rettenmaier, A. Herzog, R. Aran Ais, H. Jeon, F. Haase, U. Hejral, P. Grosse, S. Kühl, E. Davis, J. Tian, O. Magnussen and B. Roldan Cuenya: Steering the structure and selectivity of CO₂ electroreduction catalysts by potential pulses. Nature Catalysis 5 (4), 259–267 (2022).

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Tømterud, M., S.D. Eder, C. Büchner, M. Heyde, H.-J. Freund, J.R. Manson and B. Holst: Variation of bending rigidity with material density: bilayer silica with nanoscale holes. Physical Chemistry Chemical Physics 24 (30), 17941–17945 (2022).

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Tran, H.P., H.N. Nong, H.-S. Oh, M. Klingenhof, M. Kroschel, B. Paul, J. Hübner, D. Teschner and P. Strasser: Catalyst–Support Surface Charge Effects on Structure and Activity of IrNi-Based Oxygen Evolution Reaction Catalysts Deposited on Tin-Oxide Supports. Chemistry of Materials 34 (21), 9350–9363 (2022).

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Trinter, F., T. Miteva, M. Weller, A. Hartung, M. Richter, J.B. Williams, A. Gatton, B. Gaire, J. Sartor, A.L. Landers, B. Berry, I. Ben-Itzhak, N. Sisourat, V. Stumpf, K. Gokhberg, R. Dörner, T. Jahnke and T. Weber: Ultrafast temporal evolution of interatomic Coulombic decay in NeKr dimers. Chemical Science 13 (6), 1789–1800 (2022).

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Triptow, J., G. Meijer, A. Fielicke, O. Dopfer and M. Green: Comparison of Conventional and Nonconventional Hydrogen Bond Donors in Au^- Complexes. The Journal of Physical Chemistry A 126 (24), 3880–3892 (2022).

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Trunschke, A.: Prospects and challenges for autonomous catalyst discovery viewed from an experimental perspective. Catalysis Science & Technology 12 (11), 3650–3669 (2022).

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Türk, H., T. Götsch, F. Schmidt, A. Hammud, D. Ivanov, (B.de H. J. L. G., I.C. Vinke, R.-A. Eichel, R. Schlögl, K. Reuter, A. Knop-Gericke, T. Lunkenbein and C. Scheurer: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem 14 (19), e202200300 (2022).

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Türk, H., E. Landini, C. Kunkel, J. Margraf and K. Reuter: Assessing Deep Generative Models in Chemical Composition Space. Chemistry of Materials 34 (21), 9455–9467 (2022).

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Uhl, D., A. Wituschek, R. Michiels, F. Trinter, T. Jahnke, E. Allaria, C. Callegari, M. Danailov, M.D. Fraia, O. Plekan, U. Bangert, K. Dulitz, F. Landmesser, M. Michelbach, A. Simoncig, M. Manfredda, S. Spampinati, G. Penco, R.J. Squibb, R. Feifel, T. Laarmann, M. Mudrich, K.C. Prince, G. Cerullo, L. Giannessi, F. Stienkemeier and L. Bruder: Extreme Ultraviolet Wave Packet Interferometry of the Autoionizing HeNe Dimer. The Journal of Physical Chemistry Letters 13 (36), 8470–8476 (2022).

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Vadilonga, S., P. Dumas, U. Schade, K. Holldack, K. Hinrichs, G. Reichardt, T. Gerber, A. Vollmer, J.P. Hofmann, H. Oertel, B. Rech, R. Schlögl, J. Viefhaus and H. Bluhm: Optical Layout and Endstation Concept for the Enhanced Liquid Interface Spectroscopy and Analysis (ELISA) Beamline at BESSY-II. Synchrotron Radiation News 35 (3), 67–72 (2022).

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Velasco Vélez, J., D. Bernsmeier, T. Jones, P. Zeller, E. Carbonio, C.-H. Chuang, L. Falling, V. Streibel, R. Mom, A. Hammud, M. Hävecker, R. Arrigo, E. Stotz, T. Lunkenbein, A. Knop-Gericke, R. Krähnert and R. Schlögl: The rise of electrochemical NAPXPS operated in the soft X-ray regime exemplified by the oxygen evolution reaction on IrO_x electrocatalysts. Faraday Discussions 236, 103–125 (2022).

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Velasco Vélez, J., Y.-Y. Chin, M.-H. Tsai, O.J. Burton, R. Wang, S. Hofmann, W.-H. Hsu, T. Ohigashi, W.-F. Pong and C.-H. Chuang: Evidence of synergistic electrocatalysis at a cobalt oxide–graphene interface through nanochemical mapping of scanning transmission X-ray microscopy. Chinese Journal of Physics 76, 135–144 (2022).

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Vogel, T., A. Omar, S. Mansourzadeh, F. Wulf, N. Martín Sabanés, M. Müller, T.S. Seifert, A. Weigel, G. Jakob, M. Kläui, I. Pupeza, T. Kampfrath and C.J. Saraceno: Average power scaling of THz spintronic emitters efficiently cooled in reflection geometry. Optics Express 30 (12), 20451–20468 (2022).

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Wahada, M.A., E. Şaşıoğlu, W. Hoppe, X. Zhou, H. Deniz, R. Rouzegar, T. Kampfrath, I. Mertig, S.S.P. Partkin and G. Woltersdorf: Atomic Scale Control of Spin Current Transmission at Interfaces. Nano Letters 22 (9), 3539–3544 (2022).

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Walter, N., M. Doppelbauer, S. Marx, J. Seifert, X. Liu, J. Pérez-Ríos, B.G. Sartakov, S. Truppe and G. Meijer: Spectroscopic characterization of the a³Π state of aluminum monofluoride. The Journal of Chemical Physics 156 (12), 124306 (2022).

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Walter, N., J. Seifert, S. Truppe, H.C. Schewe, B.G. Sartakov and G. Meijer: Spectroscopic characterization of singlet-triplet doorway states of aluminum monofluoride. The Journal of Chemical Physics 156 (18), 184301 (2022).

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Wan, H., A. Bagger and J. Rossmeisl: Limitations of Electrochemical Nitrogen Oxidation toward Nitrate. The Journal of Physical Chemistry Letters 13 (38), 8928–8934 (2022).

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Wan, W., J. Geiger, N. Berdunov, M. Lopez-Luna, S.W. Chee, N. Daelman, N. López, S.K. Shaikhutdinov and B. Roldan Cuenya: Highly Stable and Reactive Platinum Single Atoms on Oxygen Plasma-Functionalized CeO₂ Surfaces: Nanostructuring and Peroxo Effects. Angewandte Chemie 134 (20), e202112640 (2022).

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Wan, W., J. Geiger, N. Berdunov, M. Lopez-Luna, S.W. Chee, N. Daelman, N. López, S.K. Shaikhutdinov and B. Roldan Cuenya: Highly Stable and Reactive Platinum Single Atoms on Oxygen Plasma-Functionalized CeO₂ Surfaces: Nanostructuring and Peroxo Effects. Angewandte Chemie International Edition 61 (20), e202112640 (2022).

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Wang, H., C.O. Ogolla, G. Panchal, M. Hepp, S. Delacroix, D. Cruz, D. Kojda, J. Ciston, C. Ophus, A. Knop-Gericke, K. Habicht, B. Butz and V. Strauss: Flexible CO₂ sensor architecture with selective nitrogen functionalities by one-step laser-induced conversion of versatile organic ink. Advanced Functional Materials 32 (51), 2207406 (2022).

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Wang, W., M. Favaro, E. Chen, L. Trotochaud, H. Bluhm, K.-S. Choi, R. van de Krol, D.E. Starr and G. Galli: Influence of Excess Charge on Water Adsorption on the BiVO₄(010) Surface. Journal of the American Chemical Society 114 (37), 17173–17185 (2022).

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Wang, X., C. Fu, Z. Feng, H. Huo, X. Yin, G. Gao, G. Yin, L. Ci, Y. Tong, Z. Jiang and J. Wang: Flyash/polymer composite electrolyte with internal binding interaction enables highly-stable extrinsic-interfaces of all-solid-state lithium batteries. Chemical Engineering Journal 428, 131041 (2022).

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Wang, Y., F. Rosowski, R. Schlögl and A. Trunschke: Oxygen Exchange on Vanadium Pentoxide. Journal of Physical Chemistry C 126 (7), 3443–3456 (2022).

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Waßerroth, S., G. Gordeev, S. Juergensen and P. Kusch: Exploiting plasmonic enhancement with light-emitting diode excitation in surface-enhanced Raman scattering. Journal of Raman Spectroscopy 53 (8), 1380–1385 (2022).

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Wengert, S., G. Csányi, K. Reuter and J. Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings. Journal of Chemical Theory and Computation 18 (7), 4586–4593 (2022).

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Windsor, Y.W., S.-E. Lee, D. Zahn, V. Borisov, D. Thonig, K. Kliemt, A. Ernst, C. Schüßler-Langeheine, N. Pontius, U. Staub, C. Krellner, D.V. Vyalikh, O. Eriksson and L. Rettig: Exchange scaling of ultrafast angular momentum transfer in 4ƒ antiferromagnets. Nature Materials 21 (5), 514–517 (2022).

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Wu, K.-H., Y. Liu, X. Tan, Y. Liu, Y. Lin, X. Huang, Y. Ding, B.-J. Su, B. Zhang, J.-M. Chen, W. Yan, S. C.Smith, I.R. Gentle and S. Zhao: Regulating electron transfer over asymmetric low-spin Co(II) for highly selective electrocatalysis. Chem Catalysis 2 (2), 372–385 (2022).

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Xu, W., K. Reuter and M. Andersen: Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. Nature Computational Science 2 (7), 443–450 (2022).

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Yang, Z., L. Gura, F. Kalass, P. Marschalik, M. Brinker, W. Kirstädter, J. Hartmann, G. Thielsch, H. Junkes, M. Heyde and H.-J. Freund: A high-speed variable-temperature ultrahigh vacuum scanning tunneling microscope with spiral scan capabilities. Review of Scientific Instruments 93 (5), 053704 (2022).

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Yoon, A., J. Poon, P. Grosse, S.W. Chee and B. Roldan Cuenya: Iodide-mediated Cu catalyst restructuring during CO₂ electroreduction. Journal of Materials Chemistry A 10 (26), 14041–14050 (2022).

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Yue, W., Q. Wei, S. Kais, B. Friedrich and D. Herschbach: Realization of Heisenberg models of spin systems with polar molecules in pendular states. Physical Chemistry Chemical Physics 24 (41), 25270–25278 (2022).

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Yue, Y., G. Melani, H. Kirsch, A. Paarmann, P. Saalfrank, R.K. Campen and Y. Tong: Structure and Reactivity of α-Al₂O₃(0001) Surfaces: How Do Al-I and Gibbsite-like Terminations Interconvert? The Journal of Physical Chemistry C 126 (31), 13467–13476 (2022).

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Zahn, D., F. Jakobs, H. Seiler, T.A. Butcher, D. Engel, J. Vorberger, U. Atxitia, Y.W. Windsor and R. Ernstorfer: Intrinsic energy flow in laser-excited 3d ferromagnets. Physical Review Research 4 (1), 013104 (2022).

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Zeininger, J., P. Winkler, M. Raab, Y. Suchorski, M. Prieto, L.C. Tanase, L.de S. Caldas, A. Tiwari, T. Schmidt, M. Stöger-Pollach, A. Steiger-Thirsfeld, B. Roldan Cuenya and G. Rupprechter: Pattern Formation in Catalytic H₂ Oxidation on Rh: Zooming in by Correlative Microscopy. ACS Catalysis 12 (19), 11974–11983 (2022).

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Zeradjanin, A.R., P. Narangoda, J. Masa and R. Schlögl: What Controls Activity Trends of Electrocatalytic Hydrogen Evolution Reaction?-Activation Energy Versus Frequency Factor. ACS Catalysis 12 (18), 11597–11605 (2022).

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Zhang, D., H. Li, A. Riaz, A. Sharma, W. Liang, Y. Wang, H. Chen, K. Vora, D. Yan, Z. Su, A. Tricoli, C. Zhao, F.J. Beck, K. Reuter, K. Catchpole and S. Karuturi: Unconventional direct synthesis of Ni₃N/Ni with N-vacancies for efficient and stable hydrogen evolution. Energy & Environmental Science 15 (1), 185–195 (2022).

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Zhang, H., T. Pincelli, C. Jozwiak, T. Kondo, R. Ernstorfer, T. Sato and S. Zhou: Angle-resolved photoemission spectroscopy. Nature Reviews Methods primers 2, 54 (2022).

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Zhong, J.-Q. and H.-J. Freund: Two-Dimensional Ultrathin Silica Films. Chemical Reviews 122 (13), 11172–11246 (2022).

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Zhou, M., Y. Xu, G. Luo, Q. Zhang, L. Du, X. Cui and Z. Li: Facile synthesis of phosphorus-doped porous biochars for efficient removal of elemental mercury from coal combustion flue gas. Chemical Engineering Journal 432, 134440 (2022).

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Zhou, M., Y. Xu, G. Luo, Q. Zhang, L. Du and Z. Li: Removal of elemental mercury from coal combustion flue gas using bentonite modified with Ce-Fe binary oxides. Applied Surface Science 590, 153090 (2022).

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Zhou, X., Y. Wei, M.T. Kühbach, H. Zhao, F. Vogel, R.D. Kamachali, G.B. Thompson, D. Raabe and B. Gault: Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data. Acta Materialia 226, 117633 (2022).

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Zhou, Y., C. Zhu, M. Scheffler and L.M. Ghiringhelli: Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100). Physical Review Letters 128 (24), 246101 (2022).

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Zschech, E., E. Topal, K. Kutukova, J. Gluch, M. Löffler, S. Werner, P. Guttmann, G. Schneider, Z. Liao and J. Timoshenko: Multi-scale microscopy study of 3D morphology and structure of MoNi₄/MoO₂@Ni electrocatalytic systems for fast water dissociation. Micron 158, 103262 (2022).

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