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1252 Publications


2022 | Journal Article | LibreCat-ID: 36874
Su, J., González Orive, A., & Grundmeier, G. (2022). Nano-FTIR and chemical force analysis of electrografted aryldiazonium salts on ODT-microcontact printed Au-surfaces. Applied Surface Science, 609, Article 155355. https://doi.org/10.1016/j.apsusc.2022.155355
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2022 | Journal Article | LibreCat-ID: 36872
Bobzin, K., Kalscheuer, C., Grundmeier, G., de los Arcos, T., Kollmann, S., & Carlet, M. (2022). Oxidation stability of chromium aluminum oxynitride hard coatings. Surface and Coatings Technology, 449, Article 128927. https://doi.org/10.1016/j.surfcoat.2022.128927
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2022 | Journal Article | LibreCat-ID: 36873
Neßlinger, V., Welzel, S., Rieker, F., Meinderink, D., Nieken, U., & Grundmeier, G. (2022). Thin Organic‐Inorganic Anti‐Fouling Hybrid‐Films for Microreactor Components. Macromolecular Reaction Engineering, Article 2200043. https://doi.org/10.1002/mren.202200043
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2022 | Journal Article | LibreCat-ID: 36804
Henksmeier, T., Schulz, J. F., Kluth, E., Feneberg, M., Goldhahn, R., Sanchez, A. M., Voigt, M., Grundmeier, G., & Reuter, D. (2022). Remote epitaxy of In(x)Ga(1-x)As(001) on graphene covered GaAs(001) substrates. Journal of Crystal Growth, 593, Article 126756. https://doi.org/10.1016/j.jcrysgro.2022.126756
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2022 | Journal Article | LibreCat-ID: 35977
Hoppe, C., Mitschker, F., Mai, L., Liedke, M. O., de los Arcos de Pedro, M. T., Awakowicz, P., Devi, A., Attallah, A. G., Butterling, M., Wagner, A., & Grundmeier, G. (2022). Influence of surface activation on the microporosity of PE‐CVD and PE‐ALD SiO                          x                        thin films on PDMS. Plasma Processes and Polymers, 19(4), Article 2100174. https://doi.org/10.1002/ppap.202100174
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2022 | Journal Article | LibreCat-ID: 35976
de los Arcos de Pedro, M. T., Weinberger, C., Zysk, F., Raj Damerla, V., Kollmann, S., Vieth, P., Tiemann, M., Kühne, T. D., & Grundmeier, G. (2022). Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS. Applied Surface Science, 604, Article 154525. https://doi.org/10.1016/j.apsusc.2022.154525
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2022 | Journal Article | LibreCat-ID: 35974
Xie, X., de los Arcos de Pedro, M. T., & Grundmeier, G. (2022). Comparative analysis of hexamethyldisiloxane and hexamethyldisilazane plasma polymer thin films before and after plasma oxidation. Plasma Processes and Polymers, 19(11), Article 2200052. https://doi.org/10.1002/ppap.202200052
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2022 | Journal Article | LibreCat-ID: 37942
Andexer, J. N., Beifuss, U., Brasholz, M., Breinbauer, R., Breugst, M., Dumele, O., Ernst, M., Ganardi, R., Giese, M., Gulder, T. A. M., Hüttel, W., Kath‐Schorr, S., Körber, K., Kordes, M., Lindel, T., Mück‐Lichtenfeld, C., Niemeyer, J., Pfau, R., Pfrengle, F., … Winter, C. (2022). Trendbericht Organische Chemie 2022. Nachrichten Aus Der Chemie, 70(3), 42–69. https://doi.org/10.1002/nadc.20224122453
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2022 | Journal Article | LibreCat-ID: 37938
Terazzi, C., Laatz, K., von Langermann, J., & Werner, T. (2022). Synthesis of Cyclic Carbonates Catalyzed by CaI2–Et3N and Studies on Their Biocatalytic Kinetic Resolution. ACS Sustainable Chemistry and Engineering, 10(40), 13335–13342. https://doi.org/10.1021/acssuschemeng.2c03210
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2022 | Journal Article | LibreCat-ID: 37940
Ren, C., Spannenberg, A., & Werner, T. (2022). Synthesis of Bifunctional Phosphonium Salts Bearing Perfluorinated Side Chains and Their Application in the Synthesis of Cyclic Carbonates from Epoxides and CO            2. Asian Journal of Organic Chemistry, 11(9). https://doi.org/10.1002/ajoc.202200156
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2022 | Journal Article | LibreCat-ID: 35703
Hou, P., Peschtrich, S., Huber, N., Feuerstein, W., Bihlmeier, A., Krummenacher, I., Schoch, R., Klopper, W., Breher, F., & Paradies, J. (2022). Cover Feature: Impact of Heterocycle Annulation on NIR Absorbance in Quinoid Thioacene Derivatives (Chem. Eur. J. 23/2022). Chemistry – A European Journal, 28(23). https://doi.org/10.1002/chem.202200982
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2022 | Journal Article | LibreCat-ID: 40984
Feng, Y., Schaefer, A., Hellman, A., Di, M., Härelind, H., Bauer, M., & Carlsson, P.-A. (2022). Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina. Langmuir, 38(42), 12859–12870. https://doi.org/10.1021/acs.langmuir.2c01834
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2022 | Journal Article | LibreCat-ID: 40993
Wissel, K., Bernardini, F., Oh, H., Vasala, S., Schoch, R., Blaschkowski, B., Glatzel, P., Bauer, M., Clemens, O., & Cano, A. (2022). Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic Properties across the Rare-Earth Series. Chemistry of Materials, 34(16), 7201–7209. https://doi.org/10.1021/acs.chemmater.2c00726
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2022 | Journal Article | LibreCat-ID: 40985
Moll, J., Naumann, R., Sorge, L., Förster, C., Gessner, N., Burkhardt, L., Ugur, N., Nuernberger, P., Seidel, W., Ramanan, C., Bauer, M., & Heinze, K. (2022). Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate Charge Transfer and Ligand Field States at the Franck‐Condon Geometry. Chemistry – A European Journal, 28(57). https://doi.org/10.1002/chem.202201858
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2022 | Dissertation | LibreCat-ID: 41008
Dierks, P. (2022). Synthesis and characterization of multichromophoric iron(II) complexes as novel photosensitizers. https://doi.org/10.17619/UNIPB/1-1558
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2022 | Dissertation | LibreCat-ID: 41014
Huber-Gedert, M. (2022). Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic Hydrogen Evolution.
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2022 | Journal Article | LibreCat-ID: 36425
Dogan, D., Ruthmann, S., Seewald, O., & Bremser, W. (2022). Tuning of antifouling active PDMS domains tethered to epoxy/amine surface. Progress in Organic Coatings, 170, Article 106977. https://doi.org/10.1016/j.porgcoat.2022.106977
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2022 | Journal Article | LibreCat-ID: 41810
Torkaman, N. F., Kley, M., Bremser, W., & Wilhelm, R. (2022). Reversible functionalization and exfoliation of graphite by a Diels–Alder reaction with furfuryl amine. RSC Advances, 12(27), 17249–17256. https://doi.org/10.1039/d2ra02566c
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2022 | Journal Article | LibreCat-ID: 33687
Odziomek, M., Giusto, P., Kossmann, J., Tarakina, N. V., Heske, J. J., Rivadeneira, S. M., Keil, W., Schmidt, C., Mazzanti, S., Savateev, O., Perdigón‐Toro, L., Neher, D., Kühne, T., Antonietti, M., & López‐Salas, N. (2022). “Red Carbon”: A Rediscovered Covalent Crystalline Semiconductor. Advanced Materials, 34(40), Article 2206405. https://doi.org/10.1002/adma.202206405
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2022 | Journal Article | LibreCat-ID: 41649
Büngeler, A., Kollmann, F., Huber, K., & Strube, O. I. (2022). Targeted Synthesis of the Type-A Particle Substructure from Enzymatically Produced Eumelanin. Biomacromolecules, 23(3), 1020–1029. https://doi.org/10.1021/acs.biomac.1c01390
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2022 | Journal Article | LibreCat-ID: 29790 | OA
Kothe, L., Albert, M., Meier, C., Wagner, T., & Tiemann, M. (2022). Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors. Advanced Materials Interfaces, Article 2102357. https://doi.org/10.1002/admi.202102357
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2022 | Journal Article | LibreCat-ID: 35707 | OA
Javed, A., Steinke, F., Wöhlbrandt, S., Bunzen, H., Stock, N., & Tiemann, M. (2022). The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks. Beilstein Journal of Nanotechnology, 13, 437–443. https://doi.org/10.3762/bjnano.13.36
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2022 | Journal Article | LibreCat-ID: 33691
de los Arcos, T., Weinberger, C., Zysk, F., Raj Damerla, V., Kollmann, S., Vieth, P., Tiemann, M., Kühne, T., & Grundmeier, G. (2022). Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS. Applied Surface Science, 604, Article 154525. https://doi.org/10.1016/j.apsusc.2022.154525
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2022 | Journal Article | LibreCat-ID: 33685 | OA
Weinberger, C., Zysk, F., Hartmann, M., Kaliannan, N., Keil, W., Kühne, T., & Tiemann, M. (2022). The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity. Advanced Materials Interfaces, 9(20), Article 2200245. https://doi.org/10.1002/admi.202200245
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2022 | Journal Article | LibreCat-ID: 29376
Wortmann, M., Keil, W., Brockhagen, B., Biedinger, J., Westphal, M., Weinberger, C., Diestelhorst, E., Hachmann, W., Zhao, Y., Tiemann, M., Reiss, G., Hüsgen, B., Schmidt, C., Sattler, K., & Frese, N. (2022). Pyrolysis of sucrose-derived hydrochar. Journal of Analytical and Applied Pyrolysis, 161, Article 105404. https://doi.org/10.1016/j.jaap.2021.105404
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2022 | Journal Article | LibreCat-ID: 28254 | OA
Geromel, R., Weinberger, C., Brormann, K., Tiemann, M., & Zentgraf, T. (2022). Porous SiO2 coated dielectric metasurface with consistent performance independent of environmental conditions. Optical Materials Express, 12(1), 13–21. https://doi.org/10.1364/ome.444264
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2022 | Journal Article | LibreCat-ID: 33965 | OA
Bocchini, A., Gerstmann, U., Bartley, T., Steinrück, H.-G., Henkel, G., & Schmidt, W. G. (2022). Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys. Rev. Materials, 6, 105401. https://doi.org/10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 40154
Krüger, J. T., Hoyer, K.-P., Huang, J., Filor, V., Mateus-Vargas, R. H., Oltmanns, H., Meißner, J., Grundmeier, G., & Schaper, M. (2022). FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability. Journal of Functional Biomaterials, 13(4), 185. https://doi.org/10.3390/jfb13040185
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2022 | Journal Article | LibreCat-ID: 34652
Vieth, P., Garthe, M.-A., Voswinkel, D., Schaper, M., & Grundmeier, G. (2022). Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption. Surface and Coatings Technology, 447, Article 128835. https://doi.org/10.1016/j.surfcoat.2022.128835
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2022 | Journal Article | LibreCat-ID: 30103
Huang, J., Orive, A. G., Krüger, J. T., Hoyer, K.-P., Keller, A., & Grundmeier, G. (2022). Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes. Corrosion Science, 200, 110186. https://doi.org/10.1016/j.corsci.2022.110186
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2022 | Journal Article | LibreCat-ID: 34654
Kusoglu, I. M., Vieth, P., Heiland, S., Huber, F., Lüddecke, A., Ziefuss, A. R., Kwade, A., Schmidt, M., Schaper, M., Barcikowski, S., & Grundmeier, G. (2022). Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts. Procedia CIRP, 111, 10–13. https://doi.org/10.1016/j.procir.2022.08.046
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2022 | Conference Abstract | LibreCat-ID: 44376
Tonbul, G., Kappler, J., Murugan, S., Schoch, R., Nowakowski, M., Lange, P., Bauer, M., & Buchmeiser, M. R. (2022). Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy. Electrochem2022 & 63rd Corrosion Science Symposium, Edinburgh.
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2022 | Journal Article | LibreCat-ID: 45007
Yang, Y., Cheramy, J., Brehm, M., & Xu, Y. (2022). Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations. ChemPhysChem, 23 (11), e202200161. https://doi.org/10.1002/cphc.202200161
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2022 | Journal Article | LibreCat-ID: 45010
Chahal, R., Roy, S., Brehm, M., Banerjee, S., Bryantsev, V., & Lam, S. (2022). Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt. JACS Au, 2 (12), 2693–2702. https://doi.org/10.1021/jacsau.2c00526
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2022 | Journal Article | LibreCat-ID: 45008
Taherivardanjani, S., Blasius, J., Brehm, M., Dötzer, R., & Kirchner, B. (2022). Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives. J. Phys. Chem. A, 126 (40), 7070–7083. https://doi.org/10.1021/acs.jpca.2c03133
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2022 | Journal Article | LibreCat-ID: 45009
Frömbgen, T., Blasius, J., Alizadeh, V., Chaumont, A., Brehm, M., & Kirchner, B. (2022). Cluster Analysis in Liquids: A Novel Tool in TRAVIS. J. Chem. Inf. Model., 62 (22), 5634–5644. https://doi.org/10.1021/acs.jcim.2c01244
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2022 | Journal Article | LibreCat-ID: 33834
Mathieson, A. G. M., Dose, W. M., Steinrück, H.-G., Takacs, C. J., Feldmann, S., Pandya, R., Merryweather, A. J., Mackanic, D., Rao, A., Deschler, F., & De Volder, M. (2022). A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices. Energy & Environmental Science, 15(10), 4323–4337. https://doi.org/10.1039/d2ee01754g
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2022 | Preprint | LibreCat-ID: 32404
Kühne, T., Plessl, C., Schade, R., & Schütt, O. (2022). CP2K on the road to exascale. In arXiv:2205.14741.
LibreCat | Download (ext.) | arXiv
 

2022 | Journal Article | LibreCat-ID: 33684 | OA
Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T., & Plessl, C. (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing, 111, Article 102920. https://doi.org/10.1016/j.parco.2022.102920
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2022 | Journal Article | LibreCat-ID: 46479
Bobzin, K., Kalscheuer, C., Grundmeier, G., Kollmann, S., Carlet, M., & de los Arcos de Pedro, M. T. (2022). Oxidation stability of chromium aluminum oxynitride hard coatings. Surface and Coatings Technology, 449, Article 128927. https://doi.org/10.1016/j.surfcoat.2022.128927
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2022 | Conference Paper | LibreCat-ID: 35830
Elsner, J., Tenberge, C., & Fechner, S. (n.d.). Modeling-based learning about chemical phenomena in primary education. In G. S. Carvalho, A. S. Afonso, & Z. Anastácio (Eds.), Fostering scientific citizenship in an uncertain world (Proceedings of ESERA 2021) (pp. 1241–1249). CIEC, University of Minho.
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2022 | Conference Paper | LibreCat-ID: 33559
Elsner, J., Tenberge, C., & Fechner, S. (2022). Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht. In S. Habig & H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen (Vol. 42, pp. 500–503).
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2022 | Journal Article | LibreCat-ID: 40987
Schlicher, S., Prinz, N., Bürger, J., Omlor, A., Singer, C., Zobel, M., Schoch, R., Lindner, J. K. N., Schünemann, V., Kureti, S., & Bauer, M. (2022). Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. Catalysts, 12(6), Article 675. https://doi.org/10.3390/catal12060675
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2022 | Journal Article | LibreCat-ID: 43021
Duderija, B., González-Orive, A., Schmidt, H. C., Calderón, J. C., Hordych, I., Maier, H. J., Homberg, W., & Grundmeier, G. (2022). Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation. Journal of Advanced Joining Processes, 7, Article 100137. https://doi.org/10.1016/j.jajp.2022.100137
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2022 | Journal Article | LibreCat-ID: 32283
Schmolke, T., Meschut, G., Rieker, F., Meinderink, D., & Grundmeier, G. (2022). Untersuchung von Klebverbindungen für Batteriegehäuse. adhäsion KLEBEN & DICHTEN , 66, 40–43. https://doi.org/10.1007/s35145-022-0596-9
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2022 | Journal Article | LibreCat-ID: 40986
Nowakowski, M., Kalinko, A., Szlachetko, J., Fanselow, R., & Bauer, M. (2022). High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry, 37(11), 2383–2391. https://doi.org/10.1039/d2ja00232a
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2022 | Journal Article | LibreCat-ID: 40988
Weber, S., Zimmermann, R. T., Bremer, J., Abel, K. L., Poppitz, D., Prinz, N., Ilsemann, J., Wendholt, S., Yang, Q., Pashminehazar, R., Monaco, F., Cloetens, P., Huang, X., Kübel, C., Kondratenko, E., Bauer, M., Bäumer, M., Zobel, M., Gläser, R., … Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem, 14(8). https://doi.org/10.1002/cctc.202101878
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2021 | Book Chapter | LibreCat-ID: 24935 | OA
Bauer, A., Sacher, M., Habig, S., & Fechner, S. (2021). Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften. In I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, & N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre (Vol. 3, pp. 155–168). transcript Verlag.
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2021 | Journal Article | LibreCat-ID: 25182
Zhang, Y., Wan, G., Lewis, N. H. C., Mars, J., Bone, S. E., Steinrück, H.-G., Lukatskaya, M. R., Weadock, N. J., Bajdich, M., Borodin, O., Tokmakoff, A., Toney, M. F., & Maginn, E. J. (2021). Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes. ACS Energy Letters, 6, 3458–3463. https://doi.org/10.1021/acsenergylett.1c01624
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2021 | Journal Article | LibreCat-ID: 25183
Geise, N. R., Kasse, R. M., Nelson Weker, J., Steinrück, H.-G., & Toney, M. F. (2021). Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction. Chemistry of Materials, 33, 7537–7545. https://doi.org/10.1021/acs.chemmater.1c02585
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