Prof. Dr. Andreas Görling
Publications
- Hsieh, T.E., Carl, S., Steffen, J., Mölkner, A., Frisch, J., Spiecker, E.,... Bär, M. (2026). Gallium-Assisted Platinum Isolation: Formation of Multiple Pt Species in Ga-Pt Liquid Metal Catalysts. Small Structures, 7(6). https://doi.org/10.1002/sstr.70499
- Hsieh, T.E., Moritz, M., Mölkner, A., Wichmann, C., Frisch, J., Steffen, J.,... Bär, M. (2026). Surface properties of Ga–Cu based liquid-metal alloys: impact of Cu dilution, topography, and alloy liquefaction. RSC Applied Interfaces. https://doi.org/10.1039/d5lf00335k
- Danisman, B., Yang, J., Zhang, G.-R., Brummel, O., Kovács, M.M., Dworschak, D.,... Etzold, B. (2025). The Influence of Ionic Liquid Modification on the Restructuring of Trimetallic PtNiMo/C Catalysts During Conditioning. ChemElectroChem. https://doi.org/10.1002/celc.202400603
- Egger, F., Mölkner, A., Steffen, J., Taccardi, N., Raman, N., Zobel, M.,... Haumann, M. (2025). Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation–Intermetallic Phases and Liquid Alloys Studied by Pair Distribution Function Analysis and Density Functional Theory. Advanced Science. https://doi.org/10.1002/advs.202511498
- Erhard, J., Trushin, E., & Görling, A. (2025). Kohn-Sham inversion for open-shell systems. Journal of Chemical Physics, 162(3). https://doi.org/10.1063/5.0239422
- Fauser, S., Trushin, E., & Görling, A. (2025). Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connection. Journal of Chemical Physics, 162(16). https://doi.org/10.1063/5.0263582
- Goychuk, I., Panchenko, A., Shahzad, A., Fauser, S., Neiß, C., Götz, K.,... Unruh, T. (2025). Effects of isotope and chemical incoherence on self-diffusion of atoms in liquid alloys of gallium with isotopes of nickel: Experiments based on quasielastic neutron scattering versus molecular dynamics simulations. Physical Review B, 111(6). https://doi.org/10.1103/PhysRevB.111.064302
- Henseler, J., Schärfe, T., Steffen, J., Görling, A., Geißelbrecht, M., & Wasserscheid, P. (2025). Detailed analysis of coke precursor formation in catalytic perhydro benzyltoluene dehydrogenation processes. Fuel, 398. https://doi.org/10.1016/j.fuel.2025.135500
- Kinzelmann, M., Fröhlich, N., Gnannt, F., Borstelmann, J., Frühwald, S., Oleszak, C.,... Drewello, T. (2025). Supramolecular complexation of C60 and C70 by helical nanographene incorporating N-heterotriangulene and hexabenzocoronene subunits. RSC Advances, 15(5), 3250-3258. https://doi.org/10.1039/d4ra07837c
- Knörr, L., Bühlmeyer, H., Steffen, J., Trzeciak, S., Hauner, J., Zahn, D.,... Libuda, J. (2025). Structure Formation in the Wetting Layer of a Carbonyl-Functionalized Ionic Liquid on Au(111): How to Control the Functional Group? ChemPhysChem. https://doi.org/10.1002/cphc.202500229
- Madubuko, N., Hsieh, T.E., Vorlaufer, N., Carl, S., Steffen, J., Mölkner, A.,... Wasserscheid, P. (2025). Reductive Treatment of Ga-Pt-Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation. ACS Catalysis, 12436-12449. https://doi.org/10.1021/acscatal.5c01463
- Mandalia, R., Fauser, S., Trushin, E., & Görling, A. (2025). Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities. Journal of Chemical Physics, 162(18). https://doi.org/10.1063/5.0267912
- Mandalia, R., Trushin, E., Stein, F., Kühne, T.D., & Görling, A. (2025). Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2K. Journal of Chemical Physics, 163(22). https://doi.org/10.1063/5.0304890
- Mayer, S., Franz, E., Rossetto, G., Lahn, L., Steffen, J., Görling, A.,... Vogel, N. (2025). Self-Assembled Monolayers from Triethoxysilanes: Influence of Water Content and Chemical Structure on Formation Kinetics and Morphology. Langmuir, 41(43), 29265-29277. https://doi.org/10.1021/acs.langmuir.5c03901
- Mohammad, S., Bisht, N., Kannan, A., Brandmeier, A., Neiß, C., Görling, A.,... Maier, S. (2025). Pyridyl-functionalized tripod molecules on Au(111): Interplay between H-bonding and metal coordination. Surface Science, 755. https://doi.org/10.1016/j.susc.2025.122701
- Muth, M., Shaker, M., Steffen, J., Wolfram, A., Steinbach, S., Gazetas, L.-P.,... Lytken, O. (2025). Coverage- and Temperature-Dependent Rates of Metalation, Ring Fusion, and Polymerization of Benzoporphyrins on Cu(111). Chemistry - A European Journal, 31(40). https://doi.org/10.1002/chem.202500998
- Peirow Asfia, M., Steffen, J., Cuomo, A., Sajevic, U., Görling, A., Mayrhofer, K.J., & Nikolaienko, P. (2025). Tailoring the Electrochemical Interface for 5-Hydroxymethylfurfural Hydrodimerization Using Single and Gemini Quaternary Ammonium Surfactants. ACS Sustainable Chemistry & Engineering, 13(41), 17151-17160. https://doi.org/10.1021/acssuschemeng.5c04330
- Shaker, M., Muth, M., Steffen, J., Ceccatto Dos Santos, A., Jaekel, S., Adhikari, R.,... Steinrück, H.-P. (2025). Coverage- and temperature-induced self-metalation of tetraphenyltransdibenzoporphyrin on Cu(111). Journal of Physics: Condensed Matter, 37(8). https://doi.org/10.1088/1361-648X/ad92d2
- Shaker, M., Muth, M., Steffen, J., Ceccatto dos Santos, A., Gazetas, L.-P., Oleszak, C.,... Lytken, O. (2025). Site Preferences of Copper and Cobalt Monobenzo Porphyrins in a Trans-Dibenzo Adsorption Structure on Cu(111). ChemPhysChem, 26(22). https://doi.org/10.1002/cphc.202500524
- Soegaard, A., Hsieh, T.E., Steffen, J., Carl, S., Wu, M., Raed Ramzi, Y.,... Wasserscheid, P. (2025). Single Atom Sites in Ga-Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization. ChemPhysChem. https://doi.org/10.1002/cphc.202400651
- Steffen, J., Shaker, M., Muth, M., Steinbach, S., Gazetas, P., Oleszak, C.,... Lytken, O. (2025). Using Steric Repulsion to Reduce the Coordination of Metal Centers in Adsorbed Transdibenzoporphyrins. Journal of Physical Chemistry C, 129(27), 12391-12404. https://doi.org/10.1021/acs.jpcc.5c01988
- Thiel, D., Gotfredsen, H., Greißel, P., Chen, L., Krug, M., Papadopoulos, I.,... Guldi, D.M. (2025). Interplay between Through-Space and Through-Bond Electronic Coupling in Singlet Fission. Journal of the American Chemical Society, 147(35), 32124-32144. https://doi.org/10.1021/jacs.5c10672
- Trushin, E., Fauser, S., Mölkner, A., Erhard, J., & Görling, A. (2025). Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation. Physical Review Letters, 134(1). https://doi.org/10.1103/PhysRevLett.134.016402
- Trushin, E., Fauser, S., Mölkner, A., Erhard, J., & Görling, A. (2025). Trushin et al. Reply. Physical Review Letters, 135(1), 019602-. https://doi.org/10.1103/qhr1-788v
- Trushin, E., & Görling, A. (2025). Improving Exchange-Correlation Potentials of Standard Density Functionals with the Optimized-Effective-Potential Method for Higher Accuracy of Excitation Energies. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.4c01477
- Trushin, E., Mandalia, R., & Görling, A. (2025). Analyzing the response of exchange–correlation potentials of chain-like molecules to electric fields by Kohn–Sham inversion and evaluation of the response within the random phase approximation. Journal of Chemical Physics, 163(24). https://doi.org/10.1063/5.0294687
- Zhu, Y., Borstelmann, J., Neiß, C., Wei, Z., Görling, A., Kivala, M., & Petrukhina, M.A. (2025). Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion. Chemical Science. https://doi.org/10.1039/d4sc08255a
- Bühlmeyer, H., Knörr, L., Steffen, J., Eschenbacher, R., Hauner, J., Görling, A., & Libuda, J. (2024). Adsorption and Thermal Evolution of the Carbonyl-functionalized Ionic Liquid [5-oxo-C6C1Im][NTf2] on Pt(111): A Combined IRAS, STM, and DFT Study. Chemistry - A European Journal. https://doi.org/10.1002/chem.202403900
- Eschenbacher, R., Hemauer, F., Franz, E., Leng, A., Schwaab, V., Waleska-Wellnhofer, N.,... Libuda, J. (2024). Au-Catalyzed Energy Release in a Molecular Solar Thermal (MOST) System: A Combined Liquid-Phase and Surface Science Study. Chemphotochem, 8. https://doi.org/10.1002/cptc.202300155
- Eschenbacher, R., Steffen, J., Farrugia, K., Taccardi, N., Wasserscheid, P., Görling, A., & Libuda, J. (2024). Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111). Surface Science, 743. https://doi.org/10.1016/j.susc.2024.122453
- Fan, Q., Ruan, Z., Werner, S., Naumann, T., Bolat, R., Martinez-Castro, J.,... Gottfried, J.M. (2024). Bottom-up Synthesis and Characterization of Porous 12-Atom-Wide Armchair Graphene Nanoribbons. Nano Letters. https://doi.org/10.1021/acs.nanolett.4c01106
- Fauser, S., Drontschenko, V., Ochsenfeld, C., & Görling, A. (2024). Accurate NMR Shieldings with σ-Functionals. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.4c00512
- Fauser, S., Förster, A., Redeker, L., Neiß, C., Erhard, J., Trushin, E., & Görling, A. (2024). Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals. Journal of Chemical Theory and Computation, 20(6), 2404-2422. https://doi.org/10.1021/acs.jctc.3c01132
- Fickenscher, G., Steffen, J., Görling, A., & Libuda, J. (2024). Atomic Layer Deposition of HfS2 on Functionalized Self-Assembled Monolayers on Ordered Oxide Surfaces: A Model Study under UHV Conditions. Journal of Physical Chemistry C, 128(2), 798-809. https://doi.org/10.1021/acs.jpcc.3c06772
- Freiberger, E.M., Steffen, J., Waleska-Wellnhofer, N., Hemauer, F., Schwaab, V., Görling, A.,... Papp, C. (2024). Bromination of 2D materials. Nanotechnology, 35(14). https://doi.org/10.1088/1361-6528/ad1201
- Fusek, L., Briega-Martos, V., Minichová, M., Fromm, L., Franz, E., Yang, J.,... Libuda, J. (2024). Toward High-Energy-Density Fuels for Direct Liquid Organic Hydrogen Carrier Fuel Cells: Electrooxidation of 1-Cyclohexylethanol. Journal of Physical Chemistry Letters, 15(9), 2529-2536. https://doi.org/10.1021/acs.jpclett.3c03331
- Geue, N., Freiberger, M., Frühwald, S., Görling, A., Drewello, T., & Barran, P.E. (2024). Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes. Journal of Physical Chemistry Letters, 6805-6811. https://doi.org/10.1021/acs.jpclett.4c01270
- Harrer, S., Schühle, J.D., Neiß, C., Günthert, M., Mittmann, L., Reule, A.,... Kivala, M. (2024). Structural and Electronic Impacts of the Axial Substitution at the Phosphorus Center of C(sp3)-Bridged P-Heterotriangulenes. European Journal of Organic Chemistry. https://doi.org/10.1002/ejoc.202400368
- Hauner, J., Bühlmeyer, H., Steffen, J., Trzeciak, S., Taccardi, N., Wasserscheid, P.,... Libuda, J. (2024). Temperature-Dependent Structure Formation in the Wetting Layer of the Ionic Liquid [C2C1Im][OTf] on Au(111). Journal of Physical Chemistry C, 128(9), 3894-3906. https://doi.org/10.1021/acs.jpcc.3c06299
- Moritz, M., Maisel, S., Raman, N., Wittkämper, H., Wichmann, C., Grabau, M.,... Papp, C. (2024). Supported Catalytically Active Liquid Metal Solutions: Liquid Metal Catalysis with Ternary Alloys, Enhancing Activity in Propane Dehydrogenation. ACS Catalysis, 14(9), 6440-6450. https://doi.org/10.1021/acscatal.4c01282
- Schwaab, V., Hemauer, F., Steffen, J., Waleska-Wellnhofer, N., Marie Freiberger, E., Steinmetz, M.,... Papp, C. (2024). Model Catalytic Studies on the Thermal Dehydrogenation of the Benzaldehyde/Cyclohexylmethanol LOHC System on Pt(111). Chemistry - A European Journal. https://doi.org/10.1002/chem.202402793
- Shahzad, A., Yang, F., Steffen, J., Neiß, C., Panchenko, A., Götz, K.,... Unruh, T. (2024). Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations. Journal of Physics: Condensed Matter, 36(17). https://doi.org/10.1088/1361-648X/ad1e9f
- Trushin, E., Erhard, J., & Görling, A. (2024). Violations of the v -representability condition underlying Kohn-Sham density-functional theory. Physical Review A, 110(2). https://doi.org/10.1103/PhysRevA.110.L020802
- Wonglakhon, T., Maisel, S., Görling, A., & Zahn, D. (2024). Local Charge Distribution in GaxPdy Intermetallics: Characterizing Catalyst Surfaces from Large-Scale Molecular Mechanics Simulations. Crystals, 14(7). https://doi.org/10.3390/cryst14070592
- Xiang, F., Bisht, N., Da, B., Mohammed, M., Neiß, C., Görling, A., & Maier, S. (2024). Intrinsically Patterned Two-Dimensional Transition Metal Halides. ACS nano, 18(29), 18870-18879. https://doi.org/10.1021/acsnano.3c09580
- Zhu, Y., Borstelmann, J., Bertleff, O., Bergner, J., Wei, Z., Neiß, C.,... Petrukhina, M.A. (2024). Unveiling the Multielectron Acceptor Properties of π-Expanded Pyracylene: Reversible Boat to Chair Conversion. Journal of the American Chemical Society, 146(21), 14715-14723. https://doi.org/10.1021/jacs.4c02314
- Adhikari, R., Massicot, S., Fromm, L., Talwar, T., Gezmis, A., Meusel, M.,... Steinrück, H.-P. (2023). Structure and Reactivity of the Ionic Liquid [C(1)C(1)Im][Tf2N] on Cu(111). Topics in Catalysis. https://doi.org/10.1007/s11244-023-01801-y
- Bühlmeyer, H., Hauner, J., Eschenbacher, R., Steffen, J., Trzeciak, S., Taccardi, N.,... Libuda, J. (2023). Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2C1Im][OTf] on Au(111). Chemistry - A European Journal. https://doi.org/10.1002/chem.202301328
- Freiberger, E.M., Steffen, J., Waleska-Wellnhofer, N., Harrer, A., Hemauer, F., Schwaab, V.,... Papp, C. (2023). Bromine Adsorption and Thermal Stability on Rh(111): A Combined XPS, LEED and DFT Study. ChemPhysChem. https://doi.org/10.1002/cphc.202300510
- Freiberger, M., Frühwald, S., Minameyer, M., Görling, A., & Drewello, T. (2023). New Insights into Ring-In-Ring Complexes of [n]Cycloparaphenylenes including the [12]Carbon Nanobelt. Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.3c05644
- Grasruck, A., Parla, G., Lou, L., Langer, J., Neiß, C., Herrera, A.,... Dorta, R. (2023). Trapping of soluble, KCl-stabilized Cu(i) hydrides with CO2 gives crystalline formates. Chemical Communications, 59(93), 13879-13882. https://doi.org/10.1039/d3cc03033d
- Hilpert, F., Liao, P.-C., Franz, E., Koch, V., Fromm, L., Topraksal, E.,... Libuda, J. (2023). Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods. ACS Applied Materials and Interfaces, 19536–19544. https://doi.org/10.1021/acsami.2c16943
- Hsieh, T.E., Maisel, S., Wittkämper, H., Frisch, J., Steffen, J., Wilks, R.G.,... Bär, M. (2023). Unraveling the Effect of Rh Isolation on Shallow d States of Gallium-Rhodium Alloys. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.3c04350
- Kratzer, E., Schötz, S., Maisel, S., Blaumeiser, D., Khan Antara, S., Ewald, L.,... Retzer, T. (2023). Wilkinson-type catalysts in ionic liquids for hydrogenation of small alkenes: understanding and improving catalyst stability. Catalysis: Science and Technology, 13, 2053-2069. https://doi.org/10.1039/d2cy02058k
- Neiß, C., Fauser, S., & Görling, A. (2023). Geometries and vibrational frequencies with Kohn-Sham methods using σ -functionals for the correlation energy. Journal of Chemical Physics, 158(4). https://doi.org/10.1063/5.0129524
- Oschwald, J., Reger, D., Frühwald, S., Warmbrunn, V., Görling, A., Jux, N., & Drewello, T. (2023). Experimental and Theoretical Structure Elucidation of the [2 : 1] Complex Ion of Carbo[n]helicene with n=6, 7 and 8 and Ag+. ChemPhysChem. https://doi.org/10.1002/cphc.202300496
- Solymosi, I., Neiß, C., Maid, H., Hampel, F., Solymosi, T., Görling, A.,... Perez-Ojeda, M.E. (2023). Dictating Packing and Interactions of Perylene Bisimides within Cyclophane Structures in the Solid State. ChemistrySelect, 8(17). https://doi.org/10.1002/slct.202300523
- Wittkämper, H., Hock, R., Weißer, M., Dallmann, J., Vogel, C., Raman, N.,... Papp, C. (2023). Isolated Rh atoms in dehydrogenation catalysis. Scientific Reports, 13(1), 4458-. https://doi.org/10.1038/s41598-023-31157-y
- Wittkämper, H., Hock, R., Weißer, M., Dallmann, J., Vogel, C., Raman, N.,... Papp, C. (2023). Author Correction: Isolated Rh atoms in dehydrogenation catalysis (Scientific Reports, (2023), 13, 1, (4458), 10.1038/s41598-023-31157-y). Scientific Reports, 13(1). https://doi.org/10.1038/s41598-023-35778-1
- Wolf, M., de Oliveira, A.L., Taccardi, N., Maisel, S., Heller, M., Khan Antara, S.,... Wasserscheid, P. (2023). Dry reforming of methane over gallium-based supported catalytically active liquid metal solutions. Communications Chemistry, 6(1). https://doi.org/10.1038/s42004-023-01018-w
- Erhard, J., Fauser, S., Trushin, E., & Görling, A. (2022). Scaled σ -functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas. Journal of Chemical Physics, 157(11). https://doi.org/10.1063/5.0101641
- Erhard, J., Trushin, E., & Görling, A. (2022). Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework. Journal of Chemical Physics, 156(20). https://doi.org/10.1063/5.0087356
- Eschenbacher, R., Xu, T., Franz, E., Löw, R., Moje, T., Fromm, L.,... Libuda, J. (2022). Triggering the energy release in molecular solar thermal systems: Norbornadiene-functionalized trioxatriangulen on Au(111). Nano Energy, 95. https://doi.org/10.1016/j.nanoen.2022.107007
- Fickenscher, G., Fromm, L., Görling, A., & Libuda, J. (2022). Atomic Layer Deposition of HfS2 on Oxide Interfaces: A Model Study on the Initial Nucleation Processes. Journal of Physical Chemistry C, 126, 21596-21605. https://doi.org/10.1021/acs.jpcc.2c06293
- Franz, E., Krappmann, D., Fromm, L., Luchs, T., Görling, A., Hirsch, A.,... Libuda, J. (2022). Electrocatalytic Energy Release of Norbornadiene-Based Molecular Solar Thermal Systems: Tuning the Electrochemical Stability by Molecular Design. Chemsuschem. https://doi.org/10.1002/cssc.202201483
- Freiberger, M., Minameyer, M., Solymosi, I., Frühwald, S., Krug, M., Xu, Y.,... Drewello, T. (2022). Two Rings Around One Ball: Stability and Charge Localization of [1 : 1] and [2 : 1] Complex Ions of [10]CPP and C60/70[*]. Chemistry - A European Journal, 29(16). https://doi.org/10.1002/chem.202203734
- Frisch, S., Neiß, C., Lindenthal, S., Zorn, N.F., Rominger, F., Görling, A.,... Kivala, M. (2022). Tetra(peri-naphthylene)anthracene: A Near-IR Fluorophore with Four-Stage Amphoteric Redox Properties. Chemistry - A European Journal. https://doi.org/10.1002/chem.202203101
- Fusek, L., Kastenmeier, M., Franz, E., Fromm, L., Görling, A., Brummel, O., & Libuda, J. (2022). Anchoring of porphyrins on atomically defined cobalt oxide: In-situ infrared spectroscopy at the electrified solid/liquid interface. Surface Science, 718. https://doi.org/10.1016/j.susc.2021.122013
- Hemauer, F., Bauer, U., Fromm, L., Weiß, C., Leng, A., Bachmann, P.,... Papp, C. (2022). Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3-Dicyano-Norbornadiene/Quadricyclane on Ni(111). ChemPhysChem. https://doi.org/10.1002/cphc.202200199
- Kataev, E., Fromm, L., Tariq, Q., Wechsler, D., Williams, F.J., Tsud, N.,... Lytken, O. (2022). Anchoring of phthalic acid on MgO(100). Surface Science, 720. https://doi.org/10.1016/j.susc.2021.122007
- Libuda, J., & Görling, A. (2022). Functional molecular structures on complex oxide surfaces. Surface Science, 729. https://doi.org/10.1016/j.susc.2022.122237
- Nebauer, J., Neiß, C., Krug, M., Vogel, A., Fehn, D., Ozaki, S.,... Kivala, M. (2022). Oxidative Cyclodehydrogenation of Trinaphthylamine: Selective Formation of a Nitrogen-Centered Polycyclic pi-System Comprising 5-and 7-Membered Rings. Angewandte Chemie International Edition, 61. https://doi.org/10.1002/anie.202205287
- Poller, M.J., Bönisch, S., Bertleff, B., Raabe, J.C., Görling, A., & Albert, J. (2022). Elucidating activating and deactivating effects of carboxylic acids on polyoxometalate-catalysed three-phase liquid–liquid-gas reactions. Chemical Engineering Science, 264. https://doi.org/10.1016/j.ces.2022.118143
- Reichstein, J., Schötz, S., Macht, M., Maisel, S., Stockinger, N., Cuadrado Collados, C.,... Mandel, K. (2022). Supraparticles for Bare-Eye H2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility. Advanced Functional Materials, 32(22). https://doi.org/10.1002/adfm.202112379
- Schwer, F., Zank, S., Freiberger, M., Kaur, R., Frühwald, S., Robertson, C.C.,... Von Delius, M. (2022). Synthesis and C 60Binding of Aza[10]CPP and N -Methylaza[10]CPP. Organic Materials, 4(2), 7-17. https://doi.org/10.1055/a-1814-7686
- Teale, A.M., Helgaker, T., Savin, A., Adamo, C., Aradi, B., Arbuznikov, A.,... Yang, W. (2022). DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics, 24, 28700-28781. https://doi.org/10.1039/d2cp02827a
- Vecera, P., Chacón-Torres, J.C., Pichler, T., Reich, S., Soni, H., Görling, A.,... Hirsch, A. (2022). Retraction Note: Precise determination of graphene functionalization by in situ Raman spectroscopy. Nature Communications, 13(1). https://doi.org/10.1038/s41467-022-34281-x
- Wittkämper, H., Maisel, S., Moritz, M., Grabau, M., Görling, A., Steinrück, H.-P., & Papp, C. (2022). Temperature-dependent XPS studies on Ga-In alloys through the melting-point. Surface Science, 717. https://doi.org/10.1016/j.susc.2021.122008
- Xiang, F., Maisel, S., Beniwal, S., Akhmetov, V., Ruppenstein, C., Devarajulu, M.,... Maier, S. (2022). Planar π-extended cycloparaphenylenes featuring an all-armchair edge topology. Nature Chemistry, 1^4(8), 871-876. https://doi.org/10.1038/s41557-022-00968-3
- Yang, T., Yang, J., Deng, X., Franz, E., Fromm, L., Taccardi, N.,... Libuda, J. (2022). Modifying the Electrocatalytic Selectivity of Oxidation Reactions with Ionic Liquids. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.202202957
- Zhou, Z., Zhu, Y., Wei, Z., Bergner, J., Neiß, C., Doloczki, S.,... Petrukhina, M.A. (2022). Reversible structural rearrangement of pi-expanded cyclooctatetraene upon two-fold reduction with alkali metals. Chemical Communications, 58, 3206-3209. https://doi.org/10.1039/d2cc00218c
- Blaumeiser, D., Schuschke, C., Fromm, L., Taccardi, N., Schötz, S., Eschenbacher, R.,... Libuda, J. (2021). CO Permeability and Wetting Behavior of Ionic Liquids on Pt(111): An IRAS and PM-IRAS Study from Ultrahigh Vacuum to Ambient Pressure. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.1c04043
- Fauser, S., Trushin, E., Neiß, C., & Görling, A. (2021). Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues. Journal of Chemical Physics, 155(13). https://doi.org/10.1063/5.0059641
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