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1305 Publications
2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami, Arjun, et al. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, 2021, doi:10.1007/978-3-030-79025-7_21.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41007
Dierks, Philipp, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric Iron(Ii) Complexes.” Chemical Communications, vol. 57, no. 54, Royal Society of Chemistry (RSC), 2021, pp. 6640–43, doi:10.1039/d1cc01716k.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 25301
Scherer, Beate, et al. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” Polymer Testing, 106786, 2020, doi:10.1016/j.polymertesting.2020.106786.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19679
Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” Molecules, vol. 25, 3939, 2020, doi:10.3390/molecules25173939.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19680
Kühne, Thomas, et al. “Disordered Crystals from First Principles II: Transport Coefficients.” Annals of Physics, vol. 421, 2020, p. 168290, doi:https://doi.org/10.1016/j.aop.2020.168290.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19681
Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” Molecular Physics, 2020, pp. 1–6, doi:10.1080/00268976.2020.1797920.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia, vol. 200, 2020, doi:https://doi.org/10.1016/j.actamat.2020.09.028.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21239
Sahoo, Sudhir K., et al. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials, vol. 3, no. 10, American Chemical Society, 2020, pp. 10061–69, doi:10.1021/acsaem.0c01740.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17375
Zhou, Jiaqi, et al. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C, vol. 8, The Royal Society of Chemistry, 2020, pp. 5211–21, doi:10.1039/C9TC06837F.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo, Sudhir, et al. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports, vol. 10, no. 1, 2020, doi:10.1038/s41598-020-62638-z.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17381
Elgabarty, Hossam, et al. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances, vol. 6, no. 17, American Association for the Advancement of Science, 2020, doi:10.1126/sciadv.aay7074.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics, vol. 152, no. 19, AIP Publishing, 2020, p. 194103, doi:10.1063/5.0007045.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23599
Savikhin, Victoria, et al. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography, vol. 53, 2020, pp. 1108–29, doi:10.1107/s1600576720005476.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23600
Gebers, Jan, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal, vol. 26, 2020, pp. 10265–75, doi:10.1002/chem.201904562.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie, Maged, et al. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials, vol. 30, 2020, p. 2001752, doi:10.1002/adfm.202001752.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23602
Tanim, Tanvir R., et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science, vol. 1, 2020, p. 100114, doi:10.1016/j.xcrp.2020.100114.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23603
Bone, Sharon E., et al. “Advanced Characterization in Clean Water Technologies.” Joule, vol. 4, 2020, pp. 1637–59, doi:10.1016/j.joule.2020.06.020.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23604
Kasse, Robert M., et al. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A, vol. 8, 2020, pp. 16960–72, doi:10.1039/d0ta06020h.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23605
Paulsen, Bryan D., et al. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials, vol. 32, 2020, p. 2003404, doi:10.1002/adma.202003404.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23606
Steinrück, Hans-Georg, et al. “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces.” Angewandte Chemie International Edition, vol. 59, 2020, pp. 23180–87, doi:10.1002/anie.202007745.
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