Publikationen / Publications

2020

Journals

  • Dionigi, F., Zeng, Z., Sinev, I., Merzdorf, T., Deshpande, S., Lopez, M.B., Kunze, S., Zegkinoglou, I., Fan, D., Bergmann, A., Drnec, J., de Araujo, J.F., Gliech, M., Teschner, D., Zhu, J., Li, W.-X., Greeley, J., Cuenya, B.R., Strasser, P. (2020). In-situ structure and catalytic mechanism of NiFe and CoFe layered double hydroxides during oxygen evolution Nature Communications 11, 2522. https://doi.org/10.1038/s41467-020-16237-1
  • Antonyshyn, I., Barrios Jiménez, A.M., Sichevych, O., Burkhardt, U., Veremchuk, I., Schmidt, M., Ormeci, A., Spanos, I., Tarasov, A., Teschner, D., Algara-Siller, G., Schlögl, R., Grin, Y. (2020). Al2Pt for Oxygen Evolution in Water Splitting: a Strategy for Creating Multi‐functionality in Electrocatalysis Angewandte Chemie International Edition https://doi.org/10.1002/anie.202005445
  • Helling, C., Wölper, C., Cutsail III, G.E., Haberhauer, G., Schulz, S. (2020). A mechanistic study on reactions of group 13 diyls LM with Cp*SbX2 ‐ From stibanyl radicals to antimony hydrides Chemistry – A European Journal https://doi.org/10.1002/chem.202001739
  • Lamoth, M., Gries, T., Girgsdies, F., Seitz, F., Hashagan, M., Rosowski, F., Schlögl, R., Frei, E. (2020). Transition of 2‐D to 3‐D SBA‐15 by high temperature fluoride addition and its impact on the surface reactivity probed by isopropanol conversion Chemistry – A European Journal https://doi.org/10.1002/chem.202001646
  • Ding, Y., Greiner, M., Schlögl, R., Heumann, S. (2020). A Metal Free Electrode: From Biomass Derived Carbon to Hydrogen ChemSusChem https://doi.org/10.1002/cssc.202000714
  • Szczesny, J., Birrell, J.A., Conzuelo, F., Lubitz, W., Ruff, A., Schuhmann, W. (2020). Redox polymer‐based high current density gas diffusion H2 oxidation bioanode using [FeFe] hydrogenase from Desulfovibrio desulfuricans in a membrane‐free biofuel cell Angewandte Chemie International Edition https://doi.org/10.1002/anie.202006824
  • Krysiak, O.A., Junqueira, J.R.C., Conzuelo, F., Bobrowski, T., Masa, J., Wysmolek, A., Schumann, W. (2020). Importance of catalyst–photoabsorber interface design configuration on the performance of Mo-doped BiVO4 water splitting photoanodes Journal of Solid State Electrochemistry https://doi.org/10.1007/s10008-020-04636-9
  • Frei, E., Gaur, A., Lichtenberg, H., Zwiener, L., Scherzer, M., Girgsdies, F., Lunkenbein, T., Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts ChemCatChem https://doi.org/10.1002/cctc.202000777
  • Lin, Y.-H., Kutin, Y., van Gastel, M., Bill, E., Schnegg, A., Ye, S., Lee, W.-Z. (2020). A Manganese(IV)-Hydroperoxo Intermediate Generated by Protonation of the Corresponding Manganese(III)-Superoxo Complex Journal of the American Chemical Society https://doi.org/10.1021/jacs.0c02756
  • Reijerse, E., Birrell, J.A., Lubitz, W. (2020). Spin Polarization Reveals the Coordination Geometry of the [FeFe] Hydrogenase Active Site in Its CO Inhibited State The Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.0c01352
  • Lazorski, M.S., Schapiro, I., Gaddie, R.S., Lehnig, A.P., Atanasov, M., Neese, F., Steiner, U.E., Elliott, C.M. (2020). Spin-Chemical Effects on Intramolecular Photoinduced Charge Transfer Reactions in Bisphenanthroline Copper(I)-Viologen Dyad Assemblies Chemical Science https://doi.org/10.1039/D0SC00830C
  • Levin, N., Peredkov, S., Weyhermüller, T., Rüdiger, O., Pereira, N.B., Grötzsch, D., Kalinko, A., DeBeer, S. (2020). Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.0c00663
  • Castillo, R.G., Henthorn, J.T., McGale, J., Maganas, D., DeBeer, S. (2020). Kβ X‐ray Emission Spectroscopic study of a second‐row transition metal (Mo) and its application to nitrogenase related model complexes Angewandte Chemie International Edition https://doi.org/10.1002/anie.202003621
  • Beheshti-Askari. A., al Samarai, M., Morana, B., Tillmann, L., Pfänder, N., Wandzilak, A., Watts, B., Belkhou, R., Muhler, M., DeBeer, S. (2020). In-situ X-ray Microscopy reveals particle dynamics in a NiCo dry methane reforming catalyst under operating conditions ACS Catalysis https://doi.org/10.1021/acscatal.9b05517
  • Cramer, H.H., Chatterjee, B., Weyhermüller, T., Werlé, C., Leitner, W. (2020). Controlling the Product Platform of Carbon Dioxide Reduction: Adaptive Catalytic Hydrosilylation of CO2 Using a Molecular Cobalt(II) Triazine Complex Angewandte Chemie International Edition https://doi.org/10.1002/anie.202004463
  • Schweinar, K., Beeg, S., Hartwig, C., Rajamathi, C.R., Kasian, O., Piccinin, S., Prieto, M.J., Tanase, L.C., Gottlob, D.M., Schmidt, T., Raabe, D., Schlögl, R., Gault, B., Jones, T.E., Greiner, M.T. (2020). Formation of a 2D meta-stable oxide by differential oxidation of AgCu alloys ACS Applied Materials & Interfaces 12(20), 23595-23605. https://doi.org/10.1021/acsami.0c03963
  • Ostroumov, E.E., Götze, J.P., Reus, M., Lambrev, P.H., Holzwarth, A.R. (2020).  Characterization of fluorescent chlorophyll charge-transfer states as intermediates in the excited state quenching of light-harvesting complex II Photosynthesis Research 144(2), 171-193. https://doi.org/10.1007/s11120-020-00745-8
  • Dutta, D., Kundu, S., Weyhermüller, T., Ghosh, P. (2020). Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path Dalton Transactions 49(16), 5015-5019. https://doi.org/10.1039/D0DT00089B
  • Gottschalk, H.C., Poblotzki, A., Fatima, M., Obenchain, D.A., Pérez, C., Antony, J., Auer, A.A., Baptista, L., Benoit, D.M., Bistoni, G., Bohle, F., Dahmani, R., Firaha, D., Grimme, S., Hansen, A., Harding, M.E., Hochlaf, M., Holzer, C., Jansen, G., Klopper, W., Kopp, W.A., Krasowska, M., Kröger, L.C., Leonhard, K., Al-Mogren, M.M., Mouhib, H., Neese, F., Pereira, M.N., Prakash, M., Ulusoy, I.S., Mata, R.A., Suhm, M.A., Schnell, M. (2020). The first microsolvation step for furans: New experiments and benchmarking strategies The Journal of Chemical Physics 152(16), 164303. https://doi.org/10.1063/5.0004465
  • Heenemann, M., Millet, M-M., Girgsdies, F., Eichelbaum, M., Risse, T., Schlögl, R., Jones, T.E, Frei, E. (2020). The mechanism of interfacial CO2 activation on Al doped Cu/ZnO ACS Catalysis 10(10), 5672-5680. https://doi.org/10.1021/acscatal.0c00574
  • Chen, H., Farizyan, M., Ghiringhelli, F., van Gemmeren, M. (2020). Sterically Controlled C‒H Olefination of Heteroarenes Angewandte Chemie International Edition https://doi.org/10.1002/anie.202004521
  • Wolf, E.H., Millet, M.-M., Seitz, F., Redeker, F.A., Riedel, W., Scholz, G., Hetaba, W., Teschner, D., Wrabetz, S., Girgsdies, F., Klyushin, A., Risse, T., Riedel, S., Frei, E. (2020). F-doping of nanostructured ZnO: A way to modify structural, electronic, and surface properties Physical Chemistry Chemical Physics 22(20), 11273-11285. https://doi.org/10.1039/D0CP00545B Inside Back Cover
  • Pawlak, K., Paul, S., Liu, C., Reus, M., Yang, C., Holzwarth, A.R. (2020). On the PsbS-induced quenching in the plant major light-harvesting complex LHCII studied in proteoliposomes Photosynthesis Research 144(2), 195-208. https://doi.org/10.1007/s11120-020-00740-z
  • Ghosh, K.K., Uttry, A., Mondal, A., Ghiringhelli, F., Wedi, P., van Gemmeren, M. (2020). Ligand-Enabled γ-C(sp3)–H Olefination of Free Carboxylic Acids Angewandte Chemie International Edition https://doi.org/10.1002/anie.202002362
  • Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews https://doi.org/10.1021/acs.chemrev.9b00650
  • Erken, C., Hindemith, C., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2020). Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)–Anthraphos Complexes ACS Omega 5(15), 8912-8918. https://doi.org/10.1021/acsomega.0c00562 Front Cover
  • Moos, G., Emondts, M., Bordet, A., Leitner, W. (2020). Selective Hydrogenation and Hydrodeoxygenation of Aromatic Ketones to Cyclohexane Derivatives Using a Rh@SILP Catalyst Angewandte Chemie International Edition https://doi.org/10.1002/anie.201916385
  • Lamoth, M., Jones, T., Plodinec, M., Machoke, A., Wrabetz, S., Krämer, M., Karpov, A., Rosowski, F., Piccinin, S., Schlögl, R., Frei. E. (2020). Nanocatalysts unravel the selective state of Ag ChemCatChem https://doi.org/10.1002/cctc.202000035
  • Ruland, H., Song, H., Laudenschleger, D., Stürmer, S., Schmidt, S., He, J., Kähler, K., Muhler, M., Schlögl, R. (2020). CO2 hydrogenation with Cu/ZnO/Al2O3: A benchmark study ChemCatChem https://doi.org/10.1002/cctc.202000195
  • Spiller, N., Chilkuri, V.G., DeBeer, S., Neese, F. (2020). Sulfur vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis European Journal of Inorganic Chemistry 2020(15-16), 1525-1538. https://doi.org/10.1002/ejic.202000033 
  • Cox, N., Pantazis, D.A., Lubitz, W. (2020). Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data Annual Review of Biochemistry https://doi.org/10.1146/annurev-biochem-011520-104801
  • Thorarinsdottir, A.E, Bjornsson, R., Harris, T.D. (2020).  Insensitivity of Magnetic Coupling to Ligand Substitution in a Series of Tetraoxolene Radical-Bridged Fe2 Complexes Inorganic Chemistry 59(7), 4634-4649. https://doi.org/10.1021/acs.inorgchem.9b03736
  • Maganas, D., Kowalska, J.K., Van Stappen, C., DeBeer, S., Neese, F. (2020). Mechanism of L2,3-edge X-Ray Magnetic Circular Dichroism Intensity from Quantum Chemical Calculations and Experiment - A case study on V(IV)/V(III) complexes The Journal of Chemical Physics 152(11), 114107.  https://doi.org/10.1063/1.5129029 
  • Zeradjanin, A.R., Polymeros, G., Toparli, C., Ledendecker, M., Hodnik, N., Erbe, A., Rohwerder, M., LaMantia, F. (2020). What is the Trigger for the Hydrogen Evolution Reaction? – Towards Electrocatalysis Beyond the Sabatier Principle Physical Chemistry Chemical Physics 22(16), 8768-8780. https://doi.org/10.1039/D0CP01108H
  • Kass, D., Corona, T., Warm, K., Braun-Cula, B., Kuhlmann, U., Bill, E., Mebs, S., Swart, M., Dau, H., Haumann, M., Hildebrandt, P., Ray, K. (2020). Stoichiometric formation of an oxoiron(IV) complex by a soluble methane monooxygenase type activation of O2 at an iron(II)-cyclam centre Journal of the American Chemical Society 142(13), 5924-5928. https://doi.org/10.1021/jacs.9b13756
  • Sandoval-Diaz, L., Plodinec, M., Ovanov, D., Poitel, S., Hammud, A., Nerl, H.C., Schlögl, R., Lunkenbein, T. (2020). Visualizing the importance of oxide-metal phase transitions in the production of synthesis gas over Ni catalysts Journal of Energy Chemistry 50, 178-186. https://doi.org/10.1016/j.jechem.2020.03.013
  • Lunkenbein, T., Masliuk, L., Plodinec, M., Algara-Siller, G., Jung, S., Jastak, M., Kube, P., Trunschke, A., Schlögl, R. (2020). Site specific and localized structural displacements in open structured multimetallic oxides Nanoscale 12(12), 6759-6766. https://doi.org/10.1039/C9NR09041J
  • Wu, X., Lin, Y., Ji, Y., Zhou, D., Liu, Z., Sun, X. (2020). Insights into the Enhanced Catalytic Activity of Fe-Doped LiCoPO4 for the Oxygen Evolution Reaction ACS Applied Energy Materials 3(3), 2959-2965. https://doi.org/10.1021/acsaem.0c00036
  • Plodinec, M., Nerl, H.C., Farra, R., Willinger, M.G., Stotz, E., Schlögl, R., Lunkenbein, T. (2020). Versatile Homebuilt Gas Feed and Analysis System for Operando TEM of Catalysts at Work Microscopy and Microanalysis 26(2), 220-228. https://doi.org/10.1017/S143192762000015X
  • Aramendía, P., Braslavsky, S.E., Lagorio, M.G. (2020). Enrique San Román (1945 – 2019) Photochemistry and Photobiology https://doi.org/10.1111/php.13259
  • Wilde, P., Dieckhöfer, S., Quast, T., Xiang, W., Bhatt, A., Chen, Y.-T., Seisel, S., Barwe, S., Andronescu, C., Li, T., Schuhmann, W., Masa, J. (2020). Insights into the formation, chemical stability and activity of transient NiyP@NiOx core-shell heterostructures for the oxygen evolution reaction ACS Applied Energy Materials 3(3), 2304-2309. https://doi.org/10.1021/acsaem.9b02481
  • Böhme, M., Jochim, A., Rams, M., Lohmiller, T., Suckert, S., Schnegg, A., Plass, W., Näther, C. (2020). Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties Inorganic Chemistry 59(8), 5325-5338. https://doi.org/10.1021/acs.inorgchem.9b03357 Supplementary Cover
  • Plodinec, M., Nerl, H.C., Girgsdies, F., Schlögl, R., Lunkenbein, T. (2020). Insights into Chemical Dynamics and Their Impact on the Reactivity of Pt Nanoparticles during CO Oxidation by Operando TEM ACS Catalysis 10(5), 3183-3193. https://doi.org/10.1021/acscatal.9b03692
  • Kim, J., Pfänder, N., Prieto, G. (2020). Recycling of CO2 via hydrogenation of carbonate derivatives to methanol: tuning copper‐oxide promotion effects in supported catalysts ChemSusChem 13(8), 2043-2052. https://doi.org/10.1002/cssc.202000166
  • Esteban, J., Vorholt, A.J., Leitner, W. (2020). An overview of the biphasic dehydration of sugars to 5-hydroxymethylfurfural and furfural: a rational selection of solvents using COSMO-RS and selection guides Green Chemistry 22(7), 2097-2128. https://doi.org/10.1039/C9GC04208C Inside Front Cover
  • Li, H., Münchberg, U., Oughli, A.A., Buesen, D., Lubitz, W., Freier, E., Plumeré, N. (2020). Suppressing hydrogen peroxide generation to achieve oxygen-insensitivity of a [NiFe] hydrogenase in redox active films Nature Communications 11, 920. https://doi.org/10.1038/s41467-020-14673-7
  • Tarasov, A.V., Klyushin, A.Y., Friedrich, M., Girgsdies, F., Schlögl, R., Frei, E. (2020). Oxygen Diffusion in Cu-based Catalysts: A Probe for Metal Support Interactions Applied Catalysis A: General 594, 117460. https://doi.org/10.1016/j.apcata.2020.117460
  • Fu, Q., Peng, B., Masa, J., Chen, Y.-T., Xia, W., Schuhmann, W., Muhler, M. (2020). Synergistic effect of molybdenum and tungsten in highly mixed carbide nanoparticles as effective catalysts in the hydrogen evolution reaction under alkaline and acidic conditions ChemElectroChem 7(4), 983-988. https://doi.org/10.1002/celc.202000047
  • Helling, C., Cutsail III, G.E., Weinert, H., Wölper, C., Schulz, S. (2020). Ligand Effects on the Electronic Structure of Heteroleptic Antimony‐centered Radicals Angewandte Chemie International Edition 59(19), 7561-7568. https://doi.org/10.1002/anie.202000586
  • Estes, D.P., Leutzsch, M., Schubert, L., Bordet, A., Leitner, W. (2020). The Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study ACS Catalysis 10(5), 2990-2998. https://doi.org/10.1021/acscatal.0c00404
  • Ma, Y., Pang, Y., Chabbra, S., Reijerse, E.J., Schnegg, A., Niski, J., Leutzsch, M., Cornella, J. (2020). Radical C‒N Borylation of Aromatic Amines Enabled by a Pyrylium Reagent Chemistry – A European Journal 26(17), 1827-1834. https://doi.org/10.1002/chem.202000412
  • Terhorst, M., Kampwerth, A., Marschand, A., Vogt, D., Vorholt, A.J., Seidensticker, T. (2020). Facile catalyst recycling by thermomorphic behaviour avoiding organic solvents: a reactive ionic liquid in the homogeneous Pd-catalysed telomerisation of the renewable β-myrcene Catalysis Science & Technology 10(6), 1827-1834. https://doi.org/10.1039/C9CY02569C
  • Regenauer, N.I., Settele, S., Bill, E., Wdepohl, H., Roşca, D.-A. (2020). Bis(imino)pyrazine-Supported Iron Complexes: Ligand-Based Redox Chemistry, Dearomatization, and Reversible C–C Bond Formation Inorganic Chemistry 59(4), 2604-2612. https://doi.org/10.1021/acs.inorgchem.9b03665
  • Da Silva, F.F., Thorman, R.M., Bjornsson, R., Lu, H., McElwee-White, L., Ingólsson, O. (2020). Dissociation of the FEBID precursor cis-Pt(CO)2Cl2 driven by low-energy electrons Physical Chemistry Chemical Physics 22(11), 6100-6108. https://doi.org/10.1039/C9CP06633K Back cover
  • Zimmerman, J.B., Anastas, P.T., Erythropel, H.C., Leitner, W. (2020). Designing for a green chemistry future Science 367(6476), 397-400. https://doi.org/10.1126/science.aay3060
  • Carbonio, E.A., Velasco-Vélez, J.J., Schlögl, R., Knop-Gericke, A. (2020). Perspective—Outlook on Operando Photoelectron and Absorption Spectroscopy to Probe Catalysts at the Solid-Liquid Electrochemical Interface Journal of the Electrochemical Society 167(5), 054509. https://doi.org/10.1149/1945-7111/ab68d2
  • Jung J., Loeffler, S., Langmann, J., Heinemann, F.W., Bill, E., Bistoni, G., Scherer, W., Atanasov, M., Meyer, K., Neese, F. (2020). Dispersion Forces Drive the Formation of Uranium-Alkane Adducts Journal of the American Chemical Society 142(4), 1864-1870. https://doi.org/10.1021/jacs.9b10620
  • Xu, X., Port, A., Wiebeler, C., Zhao, K-H., Schapiro, I., Gärtner, W. (2020). Structural elements regulating the photochromicity in a cyanobacteriochrome Proceedings of the National Academy of Sciences of the United States of America 117(5), 2432-2440. https://doi.org/10.1073/pnas.1910208117
  • El Sayed, S., Bordet, A., Weidenthaler, C., Hetaba, W., Luska, K., Leitner, W. (2020) Selective Hydrogenation of Benzofurans using Lewis Acid Modified Ruthenium-SILP Catalysts ACS Catalysis 10(3), 2124-2130. https://doi.org/10.1021/acscatal.9b05124
  • Park, H., Uluca-Yazgi, B., Heumann, S., Schlögl, R., Granwehr, J., Heise, H., Schleker, P.P.M. (2020). Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under 15N DP-MAS DNP Journal of Magnetic Resonance 312, 106688. https://doi.org/10.1016/j.jmr.2020.106688
  • Ham, K., Shin, D., Lee, J. (2020). The Role of Lone Pair Electrons in Pt‐N Interactions for the Oxygen Reduction in Polymer Exchange Membrane Fuel Cells ChemSusChem 13(7), 1751-1758. https://doi.org/10.1002/cssc.201903403 Front Cover
  • Chen, D., Mewafy, B., Paloukis, F., Zhong, L., Papaefthimiou, V., Dintzer, T., Papazisi, K.M., Balomenou, S.P., Tsiplakides, D., Teschner, D., Pérez-Dieste, V., Escudero, C., Zafeiratos, S. (2020). Revising the role of chromium on the surface of perovskite electrodes: Poison or promoter for the solid oxide electrolysis cell performance? Journal of Catalysis 381, 520-529. https://doi.org/10.1016/j.jcat.2019.11.032
  • Sarma, B.B., Kim, J., Amsler, J., Agostini, G., Weidenthaler, C., Pfänder, N., Arenal, R., Concepción, P., Plessow, P., Studt, F., Prieto, G. (2020). One‐pot cooperation of single‐atom Rh and Ru solid catalysts for a selective tandem olefin isomerization‐hydrosilylation process Angewandte Chemie International Edition 59(14), 5806-5815. https://doi.org/10.1002/anie.201915255
  • Krzystek, J., Schnegg, A., Aliabadi, A., Holldack, K., Stoian, S.A., Ozarowski, A., Hicks, S.D., Abu Omar, M.M., Thomas, K.E., Ghosh, A., Caulfield, K.P., Tonzetich, Z.J., Telser, J. (2020). Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count Inorganic Chemistry 59(2), 1075-1090. https://doi.org/10.1021/acs.inorgchem.9b02635
  • Anke, S., Falk, T., Bendt, G., Sinev, I., Hävecker, M., Antoni, H., Zegkinoglou, I., Jeon, H., Knop-Gericke, A., Schlögl, R., Cuenya, B.R., Schulz, S., Muhler, M. (2020). On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation Journal of Catalysis 382, 57-68. https://doi.org/10.1016/j.jcat.2019.12.007
  • Dinda, S., Patra, S.C., Roy, S., Halder, S., Weyhermüller, T., Pramanik, K., Ganguly, S. (2020). Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs peri C–H activation New Journal of Chemistry 44(4), 1407-1417. https://doi.org/10.1039/c9nj05088d
  • Birrell, J.A., Pelmenschikov, V., Mishra, N., Wang, H., Yoda, Y., Tamasaku, K., Rauchfuss, T.B., Cramer, S.P., Lubitz, W., DeBeer, S. (2020). Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-bridged Intermediates Journal of the American Chemical Society 142(1), 222-232. https://doi.org/10.1021/jacs.9b09745
  • Stahl, B., Bredow, T. (2020). Critical Assessment of the DFT+ U Approach for the Prediction of Vanadium Dioxide Properties Journal of Computational Chemistry 41(3), 258-265. https://doi.org/10.1002/jcc.26096
  • Schweinar, K., Nicholls, R.L., Rajamathi, C.R., Zeller, P., Amati, M., Gregoratti, L., Raabe, D., Greiner, M., Gault, B., Kasian, O. (2019). Probing catalytic surfaces by correlative scanning photoemission electron microscopy and atom probe tomography Journal of Materials Chemistry A 8(1), 388-400. https://doi.org/10.1039/c9ta10818a
  • Mondal, B., Ye, S. (2020). Hidden ligand noninnocence: A combined spectroscopic and computational perspective Coordination Chemistry Reviews 405, 213115. https://doi.org/10.1016/j.ccr.2019.213115
  • Cutsail III, G.E., Blaesi, E.J., Pollock, C.J., Bollinger Jr, J.M., Krebs, C., DeBeer, S. (2020). High-resolution iron X-ray absorption spectroscopic and computational studies of non-heme diiron peroxo intermediates Journal of Inorganic Biochemistry 203, 110877. https://doi.org/10.1016/j.jinorgbio.2019.110877
  • Zhang, L., Ding, Y., Koh, Y.E., Mun, B.S., Wu, K.-H., Niu, Y., Shi, W., Zhang, B. (2020). Probing the origin of the enhanced catalytic performance of sp3@sp2 nanocarbon supported Pd catalyst for CO oxidation Carbon 156, 463-469. https://doi.org/10.1016/j.carbon.2019.09.075 
  • Ott, S., Orfanidi, A., Schmies, H., Anke, B., Nong, H.N., Hübner, J., Gernert, U., Gliech, M., Lerch, M., Strasser, P. (2020). Ionomer distribution control in porous carbon-supported catalyst layers for high-power and low Pt-loaded proton exchange membrane fuel cells Nature Materials 19, 77-85 https://doi.org/10.1038/s41563-019-0487-0
  • Holtz, A., Weidener, D., Leitner, W., Klose, H., Grande, P.M., Jupke, A. (2020). Process development for separation of lignin from OrganoCat lignocellulose fractionation using antisolvent precipitation Separation and Purification Technology 236, 116295. https://doi.org/10.1016/j.seppur.2019.116295
  • Kaithal, A., van Bonn, P., Hölscher, M., Leitner, W. (2020). Manganese(I)‐Catalyzed β‐Methylation of Alcohols using Methanol as C1 Source Angewandte Chemie International Edition 59(1), 215-220. https://doi.org/10.1002/anie.201909035
  • Li, J., Chen, J., Sang, R., Ham, W.-S., Plutschack, M.B., Berger, F., Chabbra, S., Schnegg, A., Genicot, C., Ritter, T. (2020). Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination Nature Chemistry 12, 56-62. https://doi.org/10.1038/s41557-019-0353-3
  • Köck, E.-M., Bernard, J., Podewitz, M., Dinu, D.F., Huber, R.G., Liedl, K.R., Grothe, H., Bertel, E., Schlögl, R., Loerting, T. (2020). Alpha carbonic acid revisited: Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase Chemistry – A European Journal 26(1), 285-305. https://doi.org/10.1002/chem.201904142
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Others

  • Heuser, B., Vorholt, A., Prieto, G., Graziano, B., Schönfeld, S., Messagie, M., Cardellini, G., Tuomi, S., Sittinger, N., Hermanns, R., Ramawamy, S., Kant Kosuru, C., Hoffmann, H., Schulz, L., Yadav, J., Weide, M., Schnorbus, T. (2020). REDIFUEL: Robust and Efficient processes and technologies for Drop-In renewable FUELs for road transport Proceedings of 8th Transport Research Arena TRA 2020, April 27-30, 2020, Helsinki, Finland https://hal.archives-ouvertes.fr/hal-02506871