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1305 Publications
2021 | Book Chapter | LibreCat-ID: 29936
@inbook{Ramaswami_Kenter_Kühne_Plessl_2021, place={Cham}, title={Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing}, DOI={10.1007/978-3-030-79025-7_21}, booktitle={Applied Reconfigurable Computing. Architectures, Tools, and Applications}, publisher={Springer International Publishing}, author={Ramaswami, Arjun and Kenter, Tobias and Kühne, Thomas and Plessl, Christian}, year={2021} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41007
@article{Dierks_Kruse_Bokareva_Al-Marri_Kalmbach_Baltrun_Neuba_Schoch_Hohloch_Heinze_et al._2021, title={Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes}, volume={57}, DOI={10.1039/d1cc01716k}, number={54}, journal={Chemical Communications}, publisher={Royal Society of Chemistry (RSC)}, author={Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri, Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland and Hohloch, Stephan and Heinze, Katja and et al.}, year={2021}, pages={6640–6643} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 25301
@article{Scherer_Kottenstedde_Bremser_Matysik_2020, title={Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations}, DOI={10.1016/j.polymertesting.2020.106786}, number={106786}, journal={Polymer Testing}, author={Scherer, Beate and Kottenstedde, Ingo Leonard and Bremser, Wolfgang and Matysik, Frank-Michael}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19679
@article{Ojha_Kühne_2020, title={“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface}, volume={25}, DOI={10.3390/molecules25173939}, number={3939}, journal={Molecules}, author={Ojha, Deepak and Kühne, Thomas D.}, year={2020} }
LibreCat
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2020 | Journal Article | LibreCat-ID: 19680
@article{Kühne_Heske_Prodan_2020, title={Disordered crystals from first principles II: Transport coefficients}, volume={421}, DOI={https://doi.org/10.1016/j.aop.2020.168290}, journal={Annals of Physics}, author={Kühne, Thomas and Heske, Julian Joachim and Prodan, Emil}, year={2020}, pages={168290} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19681
@article{Salem_Kühne_2020, title={Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis}, DOI={10.1080/00268976.2020.1797920}, journal={Molecular Physics}, author={Salem, M. Alaraby and Kühne, Thomas D.}, year={2020}, pages={1–6} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19823
@article{Elizabeth_Conradi_K. Sahoo_Kodalle_A. Kaufmann_Kühne_Mirhosseini_Abou-Ras_Mönig_2020, title={Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films}, volume={200}, DOI={https://doi.org/10.1016/j.actamat.2020.09.028}, journal={Acta Materialia}, author={Elizabeth, Amala and Conradi, Hauke and K. Sahoo, Sudhir and Kodalle, Tim and A. Kaufmann, Christian and Kühne, Thomas and Mirhosseini, Hossein and Abou-Ras, Daniel and Mönig, Harry}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21239
@article{Sahoo_Heske_Antonietti_Qin_Oschatz_Kühne_2020, title={Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon}, volume={3}, DOI={10.1021/acsaem.0c01740}, number={10}, journal={ACS Applied Energy Materials}, publisher={American Chemical Society}, author={Sahoo, Sudhir K. and Heske, Julian Joachim and Antonietti, Markus and Qin, Qing and Oschatz, Martin and Kühne, Thomas}, year={2020}, pages={10061–10069} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17375
@article{Zhou_Khazaei_Ranjbar_Wang_Kühne_Ohno_Kawazoe_Liang_2020, title={Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study}, volume={8}, DOI={10.1039/C9TC06837F}, journal={J. Mater. Chem. C}, publisher={The Royal Society of Chemistry}, author={Zhou, Jiaqi and Khazaei, Mohammad and Ranjbar, Ahmad and Wang, Vei and Kühne, Thomas D. and Ohno, Kaoru and Kawazoe, Yoshiyuki and Liang, Yunye}, year={2020}, pages={5211–5221} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17379
@article{Kumar Sahoo_Heske_Azadi_Zhang_V Tarakina_Oschatz_Z. Khaliullin_Antonietti_Kühne_2020, title={On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials}, volume={10}, DOI={10.1038/s41598-020-62638-z}, number={1}, journal={Scientific Reports}, author={Kumar Sahoo, Sudhir and Heske, Julian Joachim and Azadi, Sam and Zhang, Zhenzhe and V Tarakina, Nadezda and Oschatz, Martin and Z. Khaliullin, Rustam and Antonietti, Markus and Kühne, Thomas}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17381
@article{Elgabarty_Kampfrath_Bonthuis_Balos_Kaliannan_Loche_Netz_Wolf_K{\_Sajadi_2020, title={Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation}, volume={6}, DOI={10.1126/sciadv.aay7074}, number={17}, journal={Science Advances}, publisher={American Association for the Advancement of Science}, author={Elgabarty, Hossam and Kampfrath, Tobias and Bonthuis, Douwe Jan and Balos, Vasileios and Kaliannan, Naveen Kumar and Loche, Philip and Netz, Roland R. and Wolf, Martin and K{\, Thomas D. and Sajadi, Mohsen}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
@article{Kühne_Iannuzzi_Del Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title={CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations}, volume={152}, DOI={10.1063/5.0007045}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kühne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020}, pages={194103} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23599
@article{Savikhin_Steinrück_Liang_Collins_Oosterhout_Beaujuge_Toney_2020, title={GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials}, volume={53}, DOI={10.1107/s1600576720005476}, journal={Journal of Applied Crystallography}, author={Savikhin, Victoria and Steinrück, Hans-Georg and Liang, Ru-Ze and Collins, Brian A. and Oosterhout, Stefan D. and Beaujuge, Pierre M. and Toney, Michael F.}, year={2020}, pages={1108–1129} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23600
@article{Gebers_Özen_Hartmann_Schaer_Suàrez_Bugnon_Scopelliti_Steinrück_Konovalov_Magerl_et al._2020, title={Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene}, volume={26}, DOI={10.1002/chem.201904562}, journal={Chemistry – A European Journal}, author={Gebers, Jan and Özen, Bilal and Hartmann, Lucia and Schaer, Michel and Suàrez, Stéphane and Bugnon, Philippe and Scopelliti, Rosario and Steinrück, Hans-Georg and Konovalov, Oleg and Magerl, Andreas and et al.}, year={2020}, pages={10265–10275} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23601
@article{Abdelsamie_Xu_Bruening_Tassone_Steinrück_Toney_2020, title={Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation}, volume={30}, DOI={10.1002/adfm.202001752}, journal={Advanced Functional Materials}, author={Abdelsamie, Maged and Xu, Junwei and Bruening, Karsten and Tassone, Christopher J. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={2001752} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23602
@article{Tanim_Paul_Thampy_Cao_Steinrück_Nelson Weker_Toney_Dufek_Evans_Jansen_et al._2020, title={Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging}, volume={1}, DOI={10.1016/j.xcrp.2020.100114}, journal={Cell Reports Physical Science}, author={Tanim, Tanvir R. and Paul, Partha P. and Thampy, Vivek and Cao, Chuntian and Steinrück, Hans-Georg and Nelson Weker, Johanna and Toney, Michael F. and Dufek, Eric J. and Evans, Michael C. and Jansen, Andrew N. and et al.}, year={2020}, pages={100114} }
LibreCat
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2020 | Journal Article | LibreCat-ID: 23603
@article{Bone_Steinrück_Toney_2020, title={Advanced Characterization in Clean Water Technologies}, volume={4}, DOI={10.1016/j.joule.2020.06.020}, journal={Joule}, author={Bone, Sharon E. and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={1637–1659} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23604
@article{Kasse_Geise_Ko_Nelson Weker_Steinrück_Toney_2020, title={Understanding additive controlled lithium morphology in lithium metal batteries}, volume={8}, DOI={10.1039/d0ta06020h}, journal={Journal of Materials Chemistry A}, author={Kasse, Robert M. and Geise, Natalie R. and Ko, Jesse S. and Nelson Weker, Johanna and Steinrück, Hans-Georg and Toney, Michael F.}, year={2020}, pages={16960–16972} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23605
@article{Paulsen_Wu_Takacs_Steinrück_Strzalka_Zhang_Toney_Rivnay_2020, title={Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor}, volume={32}, DOI={10.1002/adma.202003404}, journal={Advanced Materials}, author={Paulsen, Bryan D. and Wu, Ruiheng and Takacs, Christopher J. and Steinrück, Hans-Georg and Strzalka, Joseph and Zhang, Qingteng and Toney, Michael F. and Rivnay, Jonathan}, year={2020}, pages={2003404} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23606
@article{Steinrück_Cao_Lukatskaya_Takacs_Wan_Mackanic_Tsao_Zhao_Helms_Xu_et al._2020, title={Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces}, volume={59}, DOI={10.1002/anie.202007745}, journal={Angewandte Chemie International Edition}, author={Steinrück, Hans-Georg and Cao, Chuntian and Lukatskaya, Maria R. and Takacs, Christopher J. and Wan, Gang and Mackanic, David G. and Tsao, Yuchi and Zhao, Jingbo and Helms, Brett A. and Xu, Kang and et al.}, year={2020}, pages={23180–23187} }
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