Fritz Haber Institute of the Max Planck Society

Publications by the Fritz Haber Institute (2001-)

Journal Article (204)

2023

Journal Article

Abou-Ras, D., U. Bloeck, S. Caicedo-Dávila, A. Eljarrat, H. Funk, A. Hammud, S. Thomas, D.R. Wargulski, T. Lunkenbein and C.T. Koch: Correlative microscopy and monitoring of segregation processes in optoelectronic semiconductor materials and devices. Journal of Applied Physics 133 (12), 121101 (2023).

MPG.PuRe

publisher-version

Journal Article

Abramiuc, L.E., L.C. Tanase, M. Prieto, L.de S. Caldas, A. Tiwari, N.G. Apostol, M.A. Huşanu, C.F. Chirilă, L. Trupină, T. Schmidt, L. Pintilie and C.M. Teodorescu: Surface charge dynamics on air-exposed ferroelectric Pb(Zr,Ti)O₃(001) thin films. Nanoscale 15 (31), 13062–13075 (2023).

MPG.PuRe

Journal Article

Ali, H., B. Winter and R. Seidel: The Metal-Oxide Nanoparticle-Aqueous Solution Interface Studied by Liquid-Microjet Photoemission. Accounts of Chemical Research 56 (13), 1687–1697 (2023).

MPG.PuRe

publisher-version

Journal Article

Almalla, A., L. Elomaa, L. Bechtella, A. Daneshgar, P. Yavvari, Z. Mahfouz, P. Tang, B. Koksch, I. Sauer, K. Pagel, K.H. Hillebrandt and M. Weinhart: Papain-Based Solubilization of Decellularized Extracellular Matrix for the Preparation of Bioactive, Thermosensitive Pregels. Biomacromolecules 24 (12), 5620–5637 (2023).

MPG.PuRe

publisher-version

Journal Article

Amirbeigiarab, R., J. Tian , A. Herzog, C. Qiu, A. Bergmann, B. Roldan Cuenya and O.M. Magnussen: Atomic-scale surface restructuring of copper electrodes under CO₂ electroreduction conditions. Nature Catalysis 6 (9), 837–846 (2023).

MPG.PuRe

publisher-version

Journal Article

Angel, S., M. Braun, B. Alkan, J. Landers, S. Salamon, H. Wende, C. Andronescu, C. Schulz and H. Wiggers: Spray-Flame Synthesis of LaFe_xCo_1-xO₃ (x = 0.2, 0.3) Perovskite Nanoparticles for Oxygen Evolution Reaction in Water Splitting: Effect of Precursor Chemistry (Acetates and Nitrates). The Journal of Physical Chemistry A 127 (11), 2564–2576 (2023).

MPG.PuRe

Journal Article

Anníes, S., C. Scheurer and C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).

MPG.PuRe

publisher-version

Journal Article

Antonyshyn, I., O. Sichevych, U. Burkhardt, A.M.B. Jiménez, A. Melendez-Sans, Y.-F. Liao, K.-D. Tsuei, D. Kasinathan, D. Takegami and A. Ormeci: Al-Pt intermetallic compounds: HAXPES study. Physical Chemistry Chemical Physics 25 (45), 31137–31145 (2023).

MPG.PuRe

publisher-version

Journal Article

Balos, V., M. Wolf, S. Kovalev and M. Sajadi: Optical rectification and electro-optic sampling in quartz. Optics Express 31 (8), 13317 (2023).

MPG.PuRe

publisher-version

Journal Article

Barreto, J., N. Nilius, H. Tissot, S.K. Shaikhutdinov, H.-J. Freund and F. Stavale: Interaction of water and carbon monoxide with MnO(001) thin films on Au(111). Physical Chemistry Chemical Physics 25 (43), 29808–29815 (2023).

MPG.PuRe

Journal Article

Bechtella, L. and K. Pagel: A butterfly effect: From a single nucleotide to altered immunity. Chem 9 (3), 554–556 (2023).

MPG.PuRe

Journal Article

Behovits, Y., A. Chekhov, S.Y. Bodnar, O. Gückstock, S. Reimers, Y. Lytvynenko, Y. Skourski, M. Wolf, T. Seifert, O. Gomonay, M. Kläui, M. Jourdan and T. Kampfrath: Terahertz Néel spin-orbit torques drive nonlinear magnon dynamics in antiferromagnetic Mn₂Au. Nature Communications 14, 6038 (2023).

MPG.PuRe

publisher-version

Journal Article

Beinlich, S., G. Kastlunger, K. Reuter and N. Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), 8323–8331 (2023).

MPG.PuRe

publisher-version

Journal Article

Bergmann, N., N. Hörmann and K. Reuter: Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of Chemical Theory and Computation 19 (23), 8815–8825 (2023).

MPG.PuRe

publisher-version

Journal Article

Beynon, O.T., A. Owens, C. Carbogno and A.J. Logsdail: Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials. The Journal of Physical Chemistry C 127 (32), 16030–16040 (2023).

MPG.PuRe

publisher-version

Journal Article

Biswajit, M., A. Jana, J. Roy, A.C. Mata, A.S. Nair, A. Mahendranath, S. Roy, B. Pathak, P.M. Ajayan and T. Pradeep: Structure and Electrocatalytic Performance of Cocrystallized Ternary Molybdenum Oxosulfide Clusters for Efficient Water Splitting. ACS Materials Letters 5 (12), 3306–3315 (2023).

MPG.PuRe

Journal Article

Blume, R., W. Calvet, A. Ghafari, T. Mayer, A. Knop-Gericke and R. Schlögl: Structural and Chemical Properties of NiOx Thin Films: Oxygen Vacancy Formation in O₂ Atmosphere. ChemPhysChem 24 (23), e202300231 (2023).

MPG.PuRe

publisher-version

Journal Article

Blume, R., W. Wolfram, A. Ghafari, T. Mayer, A. Knop-Gericke and R. Schlögl: Structural and chemical properties of NiO_x thin films: the role of oxygen vacancies in NiOOH formation in a H₂O atmosphere. Physical Chemistry Chemical Physics 25 (37), 25552–25565 (2023).

MPG.PuRe

publisher-version

Journal Article

Bonati , L., D. Polino, C. Pizzolitto, P. Biasi, R. Eckert, S. Reitmeier, R. Schlögl and M. Parrinello: The role of dynamics in heterogeneous catalysis: Surface diffusivity and N₂ decomposition on Fe(111). Proceedings of the National Academy of Sciences of the United States of America 120 (50), e231302312 (2023).

MPG.PuRe

Journal Article

Bude, R., I. Verschueren, I. Florea, J.-L. Maurice, P. Legagneux, L.M.C. Pereira, H. Bana, R. Villarreal, R. Blume, A. Knop-Gericke, T. Jones and D. Pribat: Synthesis of Few-Layered Transition-Metal Dichalcogenides by Ion Implantation of Chalcogen and Metal Species into Sapphire. ACS Omega 8 (32), 29475–29484 (2023).

MPG.PuRe

publisher-version

Journal Article

Buttersack, T., H. Haak, H. Bluhm, U. Hergenhahn, G. Meijer and B. Winter: Imaging temperature and thickness of thin planar liquid water jets in vacuum. Structural Dynamics 10 (3), 034901 (2023).

MPG.PuRe

publisher-version

Journal Article

Calati, S., Q. Li, X. Zhu and J. Stähler: Dynamic screening of quasiparticles in WS₂ monolayers. Physical Review B 107 (11), 115404 (2023).

MPG.PuRe

publisher-version

Journal Article

Carbonio, E., F. Sulzmann, A. Klyushin, M. Hävecker, S. Piccinin, A. Knop-Gericke, R. Schlögl and T. Jones: Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl. ACS Catalysis 13 (9), 5906–5913 (2023).

MPG.PuRe

publisher-version

Journal Article

Chee, S.W., T. Lunkenbein, R. Schlögl and B. Roldan Cuenya: Operando Electron Microscopy of Catalysts: The Missing Cornerstone in Heterogeneous Catalysis Research? Chemical Reviews 123 (23), 13374–13418 (2023).

MPG.PuRe

publisher-version

Journal Article

Chen, K., C. Kunkel, B. Cheng, K. Reuter and J. Margraf: Physics-inspired machine learning of localized intensive properties. Chemical Science 14 (18), 4913–4922 (2023).

MPG.PuRe

publisher-version

Journal Article

Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Aufdeckung des Entstehungsmechanismus und Optimierung der Synthesebedingungen von geschichteten Doppelhydroxiden für die Sauerstoffentwicklungsreaktion. Angewandte Chemie 135 (10), e202215728 (2023).

MPG.PuRe

publisher-version

Journal Article

Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Revealing the Formation Mechanism and Optimizing the Synthesis Conditions of Layered Double Hydroxides for the Oxygen Evolution Reaction. Angewandte Chemie International Edition 62 (10), e202215728 (2023).

MPG.PuRe

publisher-version

Journal Article

Cheng, R., X. Shen, S. Klotz, Z. Zeng, Z. Li, A. Ivanov, Y. Xiao, L.-D. Zhao, F. Weber and C. Yue: Lattice dynamics and thermal transport of PbTe under high pressure. Physical Review B 108 (10), 104306 (2023).

MPG.PuRe

publisher-version

Journal Article

Christiansen, D., M. Selig, M. Rossi and A. Knorr: Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors. Physical Review B 107 (4), L041401 (2023).

MPG.PuRe

publisher-version

Journal Article

Davis, E., A. Bergmann, C. Zhan, H. Kuhlenbeck and B. Roldan Cuenya: Comparative study of Co₃O₄(111), CoFe₂O₄(111), and Fe₃O₄(111) thin film electrocatalysts for the oxygen evolution reaction. Nature Communications 14, 4791 (2023).

MPG.PuRe

publisher-version

Journal Article

de Luna, G.S., T. Tommaso, J. Velasco Vélez, E. Monti, F. Ospitali, S. Albonetti, F. Cavani, G. Fornasari and P. Benito: Electrification of glucose valorization over NiO/Ni foam. Sustainable Energy & Fuels 7 (18), 4474–4485 (2023).

MPG.PuRe

publisher-version

Journal Article

de Luna, G.S., P. Zeller, E. Öztuna, F. Maluta, A. Canciani, F. Ospitali, P.H. Ho, A. Paglianti, A. Knop-Gericke, G. Fornasari, J. Velasco Vélez and P. Benito: In Situ Development of a 3D Cu-CeO₂ Catalyst Selective in the Electrocatalytic Hydrogenation of Biomass Furanic Compounds. ACS Catalysis 13 (19), 12737–12745 (2023).

MPG.PuRe

publisher-version

Journal Article

Dean, J., M. Scheffler, T. Purcell, S.V. Barabash, R. Bhowmik and T. Bazhirov: Interpretable Machine Learning for Materials Design. Journal of Materials Research 38 (20), 4477–4496 (2023).

MPG.PuRe

Journal Article

Deka, N., T.E. Jones, L.J. Falling, L. Sandoval Diaz, T. Lunkenbein, J.-J. Velasco-Velez, T.-S. Chan, C.-H. Chuang, A. Knop-Gericke and R.V. Mom: On the Operando Structure of Ruthenium Oxides during the Oxygen Evolution Reaction in Acidic Media. ACS Catalysis 13 (11), 7488–7498 (2023).

MPG.PuRe

publisher-version

Journal Article

Demling, A., S.B. King, P. Shushkov and J. Stähler: O₂ Reduction at a DMSO/Cu(111) Model Battery Interface. The Journal of Physical Chemistry C 127 (6), 2894–2900 (2023).

MPG.PuRe

publisher-version

Journal Article

Diego, G., M.D. Higham, M.G. Quesne, M. Aramini, R. Xu, A.I. Large, G. Held, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, C. Genovese, C. Ampelli, M.E. Schuster, S. Perathoner, G. Centi, C.R.A. Catlow and R. Arrigo: Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO₂ over C-Supported Cu-Based Systems. ACS Catalysis 13 (9), 5876–5895 (2023).

MPG.PuRe

publisher-version

Journal Article

Dong, S., S. Beaulieu, M. Selig, P. Rosenzweig, D. Christiansen, T. Pincelli, M.R. Dendzik, J.D. Ziegler, J. Maklar, R.P. Xian, A. Neef, A. Mohammed, A. Schulz, M. Stadler, M. Jetter, P. Michler, T. Taniguchi, K. Watanabe, H. Takagi, U. Starke, A. Chernikov, M. Wolf, H. Nakamura, A. Knorr, L. Rettig and R. Ernstorfer: Observation of ultrafast interfacial Meitner-Auger energy transfer in a van der Waals heterostructure. Nature Communications 14, 5057 (2023).

MPG.PuRe

publisher-version

Journal Article

Dortaj, S. and S. Matera: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance. The Journal of Chemical Physics 159 (9), 094110 (2023).

MPG.PuRe

Journal Article

Dudzinski, A.M., A. Dudzinski, E. Diesen, H. Heenen, V.J. Bukas and K. Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), 12074–12081 (2023).

MPG.PuRe

publisher-version

Journal Article

Dupuy, R., J. Filser, C. Richter, T. Buttersack, F. Trinter, S. Gholami, R. Seidel, C. Nicolas, J. Bozek, D. Egger, H. Oberhofer, S. Thürmer, U. Hergenhahn, K. Reuter, B. Winter and H. Bluhm: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface. Physical Review Letters 130 (15), 156901 (2023).

MPG.PuRe

publisher-version

Journal Article

Dupuy, R., J. Filser, C. Richter, R. Seidel, F. Trinter, T. Buttersack, C. Nicolas, J. Bozek, U. Hergenhahn, H. Oberhofer, B. Winter, K. Reuter and H. Bluhm: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 25 (33), 22538–22538 (2023).

MPG.PuRe

publisher-version

Journal Article

Dupuy, R., S. Thürmer, C. Richter, T. Buttersack, F. Trinter, B. Winter and H. Bluhm: Core-Level Photoelectron Angular Distributions at the Liquid–Vapor Interface. Accounts of Chemical Research 56 (3), 215–223 (2023).

MPG.PuRe

publisher-version

Journal Article

Eggert, T., N. Hörmann and K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).

MPG.PuRe

publisher-version

Journal Article

Esquius, J.R., D.J. Morgan, G. Algara-Siller, D. Gianolio, M. Aramini, L. Lahn, O. Kasian, S.A. Kondrat, R. Schlögl, G.J. Hutchings, R. Arrigo and S.J. Freakley: Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts. Journal of the American Chemical Society 145 (11), 6398–6409 (2023).

MPG.PuRe

publisher-version

Journal Article

Fang, L., C. Chen, X. Lu and W. Ren: Effects of pressure and temperature on topological electronic materials X₂Y₃ (X = As, Sb, Bi; Y = Se, Te) using first-principles. Physical Chemistry Chemical Physics 25 (31), 20969–20978 (2023).

MPG.PuRe

Journal Article

Fellows, A.P., V. Balos, B. John, A. Diaz Duque, M. Wolf and M. Thämer: Obtaining extended insight into molecular systems by probing multiple pathways in second-order nonlinear spectroscopy. The Journal of Chemical Physics 159 (16), 164201 (2023).

MPG.PuRe

publisher-version

Journal Article

Fidanyan, K., G. Liu and M. Rossi: Ab initio study of water dissociation on a charged Pd(111) surface. The Journal of Chemical Physics 158 (9), 094707 (2023).

MPG.PuRe

publisher-version

Journal Article

Fielicke, A.: Probing the binding and activation of small molecules by gas-phase transition metal clusters via IR spectroscopy. Chemical Society Reviews 52 (11), 3778–3841 (2023).

MPG.PuRe

publisher-version

Journal Article

Foppa, L., Rüther Frederik, M. Geske, G. Koch, F. Girgsdies, P. Kube, S. Carey, M. Hävecker, O. Timpe, A. Tarasov, M. Scheffler, F. Rosowski, R. Schlögl and A. Trunschke: Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation. Journal of the American Chemical Society 145 (6), 3427–3442 (2023).

MPG.PuRe

publisher-version

Journal Article

Frenzel, M., M. Cherasse, J. Urban, F. Wang, B. Xiang, L. Nest, L. Huber, L. Perfetti, M. Wolf, T. Kampfrath, X.-Y. Zhu and S.F. Maehrlein: Nonlinear terahertz control of the lead halide perovskite lattice. Science Advances 9 (21), eadg3856 (2023).

MPG.PuRe

publisher-version