Publications

Journal Article

Yan, L., R. Ku, J.-G. Si, P.-F. Liu, H. Gao, L. Zhou and B.-T. Wang: Electron-phonon driven charge density wave and superconductivity in a 1T-TaSi₂N₄ monolayer. Physical Review B 109 (13), 134502 (2024).

MPG.PuRe

Journal Article

Yang, Z. and H.-J. Freund: High-speed scanning tunneling microscope technique and its application in studying structural dynamics on surfaces. Progress in Surface Science 99 (2), 100744 (2024).

MPG.PuRe

Journal Article

Yoshikawa, K., M. Kanno, H. Xue, N. Kishimoto, S. Goto, F. Ota, Y. Tamura, F. Trinter, K. Fehre, L. Kaiser, J. Stindl, D. Tsitsonis, M. Schöffler, R. Dörner, R. Boll, B. Erk, T. Mazza, T. Mullins, D.E. Rivas, P. Schmidt, S. Usenko, M. Meyer, E. Wang, D. Rolles, A. Rudenko, E. Kukk, T. Jahnke, S. Díaz-Tendero, F. Martín, K. Hatada and K. Ueda: Time-resolved photoelectron diffraction imaging of methanol photodissociation involving molecular hydrogen ejection. Physical Chemistry Chemical Physics 26 (38), 25118–25130 (2024).

MPG.PuRe

Journal Article

Yu, D., W. Xu, C. Yuan, Z. Yuan and X. Li: Lead-Based Flow Battery Based on New Pb-Based Anolyte Chemistry. Industrial and Engineering Chemistry Research 63 (26), 11485–11495 (2024).

MPG.PuRe

Journal Article

Yue, S., Q. Li, C. Zeng, A. Klyushin, R. Farra, M.G. Willinger and X. Huang: Structural and chemical transformations of CuZn alloy nanoparticles under reactive redox atmospheres: an in situ TEM study. Nano Research 17 (7), 6265–6273 (2024).

MPG.PuRe

Full

Journal Article

Zhan, C., F. Dattila, C. Rettenmaier, A. Herzog, M. Herran, T. Wagner, F. Scholten, A. Bergmann, N. Lopez and B. Roldan Cuenya: Key intermediates and Cu active sites for CO₂ electroreduction to ethylene and ethanol. Nature Energy 9 (12), 1485–1496 (2024).

MPG.PuRe

Journal Article

Zhang, J., M. Barreau, T. Dintzer, M. Hävecker, D. Teschner, A. Efimenko, W. Luo and S. Zafeiratos: Unveiling Key Interface Characteristics of Ni/Yttria-Stabilized Zirconia Solid Oxide Cell Electrodes in H₂O Electroreduction Using Operando X-ray Photoelectron Spectroscopy. ACS Applied Materials and Interfaces 16 (29), 37915–37926 (2024).

MPG.PuRe

Journal Article

Zhang, P., J. Fan, Y. Wang, Y. Dang, S. Heumann and Y. Ding: Insights into the role of defects on the Raman spectroscopy of carbon nanotube and biomass-derived carbon. Carbon 222, 118998 (2024).

MPG.PuRe

Journal Article

Ziemba, M., J. Weyel, P. Zeller, J. Welzenbach, A. Efimenko, M. Hävecker and C. Hess: Importance of Metal-Support Interactions for CO₂ Hydrogenation: An Operando Near-Ambient Pressure X-ray Photoelectron Spectroscopy Study on Gold-Loaded In₂O₃ and CeO₂ Catalysts. The Journal of Physical Chemistry Letters 15 (18), 4928–4932 (2024).

MPG.PuRe

Journal Article

Zupancic, M., W. Aggoune, A. Gloter, G. Hoffmann, F.-P. Schmidt, Z. Galazka, D. Pfützenreuter, A.A. Riaz, C. Schlueter, H. Amari, A. Regoutz, J. Schwarzkopf, T. Lunkenbein, O. Bierwagen, C. Draxl and M. Albrecht: Polar discontinuity governs surface segregation and interface termination: A case study of LaInO₃ /BaSnO₃. Physical Review Materials 8 (3), 034602 (2024).

MPG.PuRe

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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., 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