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1305 Publications
2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami A, Kenter T, Kühne T, Plessl C. Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In: 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 P, Kruse A, Bokareva OS, et al. Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes. Chemical Communications. 2021;57(54):6640-6643. doi:10.1039/d1cc01716k
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 25301
Scherer B, Kottenstedde IL, Bremser W, Matysik F-M. Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. Polymer Testing. Published online 2020. doi:10.1016/j.polymertesting.2020.106786
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19679
Ojha D, Kühne TD. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules. 2020;25. doi:10.3390/molecules25173939
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19680
Kühne T, Heske JJ, Prodan E. Disordered crystals from first principles II: Transport coefficients. Annals of Physics. 2020;421:168290. doi:https://doi.org/10.1016/j.aop.2020.168290
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19681
Salem MA, Kühne TD. Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. Molecular Physics. 2020:1-6. doi:10.1080/00268976.2020.1797920
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia. 2020;200. doi:https://doi.org/10.1016/j.actamat.2020.09.028
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21239
Sahoo SK, Heske JJ, Antonietti M, Qin Q, Oschatz M, Kühne T. Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials. 2020;3(10):10061-10069. doi:10.1021/acsaem.0c01740
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17375
Zhou J, Khazaei M, Ranjbar A, et al. Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study. J Mater Chem C. 2020;8:5211-5221. doi:10.1039/C9TC06837F
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo S, Heske JJ, Azadi S, et al. On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 2020;10(1). doi:10.1038/s41598-020-62638-z
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17381
Elgabarty H, Kampfrath T, Bonthuis DJ, et al. Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances. 2020;6(17). doi:10.1126/sciadv.aay7074
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne TD, Iannuzzi M, Del Ben M, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19):194103. doi:10.1063/5.0007045
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23599
Savikhin V, Steinrück H-G, Liang R-Z, 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. 2020;53:1108-1129. doi:10.1107/s1600576720005476
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23600
Gebers J, Özen B, Hartmann L, et al. Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. Chemistry – A European Journal. 2020;26:10265-10275. doi:10.1002/chem.201904562
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie M, Xu J, Bruening K, Tassone CJ, Steinrück H-G, Toney MF. Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. Advanced Functional Materials. 2020;30:2001752. doi:10.1002/adfm.202001752
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23602
Tanim TR, Paul PP, Thampy V, et al. Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging. Cell Reports Physical Science. 2020;1:100114. doi:10.1016/j.xcrp.2020.100114
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23603
Bone SE, Steinrück H-G, Toney MF. Advanced Characterization in Clean Water Technologies. Joule. 2020;4:1637-1659. doi:10.1016/j.joule.2020.06.020
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23604
Kasse RM, Geise NR, Ko JS, Nelson Weker J, Steinrück H-G, Toney MF. Understanding additive controlled lithium morphology in lithium metal batteries. Journal of Materials Chemistry A. 2020;8:16960-16972. doi:10.1039/d0ta06020h
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23605
Paulsen BD, Wu R, Takacs CJ, et al. Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor. Advanced Materials. 2020;32:2003404. doi:10.1002/adma.202003404
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23606
Steinrück H-G, Cao C, Lukatskaya MR, 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. 2020;59:23180-23187. doi:10.1002/anie.202007745
LibreCat
| DOI