KIT Materials Center

List of VirtMat Publications


2021
3D printing of inherently nanoporous polymers via polymerization-induced phase separation.
Dong, Z.; Cui, H.; Zhang, H.; Wang, F.; Zhan, X.; Mayer, F.; Nestler, B.; Wegener, M.; Levkin, P. A.
2021. Nature Communications, 12 (1), Art:nr. 247. doi:10.1038/s41467-020-20498-1Full textFull text of the publication as PDF document
Morphological stability of three-dimensional cementite rods in polycrystalline system : A phase-field analysis.
Mittnacht, T.; Kubendran Amos, P. G.; Schneider, D.; Nestler, B.
2021. Journal of materials science & technology, 77, 252–268. doi:10.1016/j.jmst.2020.11.019
Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal–organic framework.
Haldar, R.; Kozlowska, M.; Ganschow, M.; Ghosh, S.; Jakoby, M.; Chen, H.; Ghalami, F.; Xie, W.; c; Tsutsui, Y.; Freudenberg, J.; Seki, S.; Howard, I. A.; Richards, B. S.; Bunz, U. H. F.; Elstner, M.; Wenzel, W.; Wöll, C.
2021. Chemical science, 12 (12), 4477–4483. doi:10.1039/d0sc07073d
Phase-field simulations of grain boundary grooving under diffusive-convective conditions.
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2021. Acta materialia, 204, Art.-Nr.: 116497. doi:10.1016/j.actamat.2020.116497
Chiral triclinic metamaterial crystals supporting isotropic acoustical activity and isotropic chiral phonons.
Chen, Y.; Kadic, M.; Wegener, M.
2021. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 477 (2246), 20200764. doi:10.1098/rspa.2020.0764
Large characteristic lengths in 3D chiral elastic metamaterials.
Frenzel, T.; Hahn, V.; Ziemke, P.; Schneider, J. L. G.; Chen, Y.; Kiefer, P.; Gumbsch, P.; Wegener, M.
2021. Communications materials, 2 (1), Art.Nr. 4. doi:10.1038/s43246-020-00107-wFull textFull text of the publication as PDF document
Cubic metamaterial crystal supporting broadband isotropic chiral phonons.
Chen, Y.; Frenzel, T.; Zhang, Q.; Kadic, M.; Wegener, M.
2021. Physical Review Materials, 5 (2), Art.-Nr.: 025201. doi:10.1103/PhysRevMaterials.5.025201
2020
Tuning Optical Properties by Controlled Aggregation: Electroluminescence Assisted by Thermally‐Activated Delayed Fluorescence from Thin Films of Crystalline Chromophores.
Wöll, C.; Haldar, R.; Jakoby, M.; Kozlowska, M.; Khan, M. R.; Chen, H.; Pramudya, Y.; Richards, B. S.; Heinke, L.; Wenzel, W.; Odobel, F.; Diring, S.; Howard, I. A.; Lemmer, U.
2020. Chemistry - a European journal, 26 (71), 17016–17020. doi:10.1002/chem.202003712Full textFull text of the publication as PDF document
On enhanced sensing of chiral molecules in optical cavities.
Scott, P.; Garcia-Santiago, X.; Beutel, D.; Rockstuhl, C.; Wegener, M.; Fernandez-Corbaton, I.
2020. Applied physics reviews, 7 (4), Art.Nr. 041413. doi:10.1063/5.0025006
The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry.
Tremouilhac, P.; Lin, C.-L.; Huang, P.-C.; Huang, Y.-C.; Nguyen, A.; Jung, N.; Bach, F.; Ulrich, R.; Neumair, B.; Streit, A.; Bräse, S.
2020. Angewandte Chemie / International edition, 59 (50), 22771–22778. doi:10.1002/anie.202007702Full textFull text of the publication as PDF document
Trends in the Activation of Light Alkanes on Transition-Metal Surfaces.
Araujo-Lopez, E.; Vandegehuchte, B. D.; Curulla-Ferré, D.; Sharapa, D. I.; Studt, F.
2020. The journal of physical chemistry <Washington, DC> / C, 124 (50), 27503–27510. doi:10.1021/acs.jpcc.0c08076
Polyaramid-Based Flexible Antibacterial Coatings Fabricated Using Laser-Induced Carbonization and Copper Electroplating.
Mamleyev, E. R.; Falk, F.; Weidler, P. G.; Heissler, S.; Wadhwa, S.; Nassar, O.; Shyam Kumar, C. N.; Kübel, C.; Wöll, C.; Islam, M.; Mager, D.; Korvink, J. G.
2020. ACS applied materials & interfaces, 12 (47), 53193–53205. doi:10.1021/acsami.0c13058
Crystalline assembly of perylene in metal–organic framework thin film: J-aggregate or excimer? Insight into the electronic structure.
Kozlowska, M.; Pramudya, Y.; Jakoby, M.; Heidrich, S.; Pan, L.; Richards, B.; Howard, I.; Woell, C.; Haldar, R.; Wenzel, W.
2020. Journal of physics / Condensed matter, 33 (3), Art.Nr. 034001. doi:10.1088/1361-648X/abbc34
Topologically optimized magnetic lens for magnetic resonance applications.
Wadhwa, S.; Jouda, M.; Deng, Y.; Nassar, O.; Mager, D.; Korvink, J. G.
2020. Magnetic Resonance, 1 (2), 225–236. doi:10.5194/mr-1-225-2020Full textFull text of the publication as PDF document
Thermal Defect Engineering of Precious Group Metal–Organic Frameworks: A Case Study on Ru/Rh-HKUST-1 Analogues.
Heinz, W. R.; Agirrezabal-Telleria, I.; Junk, R.; Berger, J.; Wang, J.; Sharapa, D. I.; Gil-Calvo, M.; Luz, I.; Soukri, M.; Studt, F.; Wang, Y.; Wöll, C.; Bunzen, H.; Drees, M.; Fischer, R. A.
2020. ACS applied materials & interfaces, 12 (36), 40635–40647. doi:10.1021/acsami.0c10721
Band engineering of Dirac cones in iron chalcogenides.
Lauke, L.; Heid, R.; Merz, M.; Wolf, T.; Haghighirad, A.-A.; Schmalian, J.
2020. Physical review / B, 102 (5), Art.Nr. 054209. doi:10.1103/PhysRevB.102.054209
Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct HO synthesis.
Doronkin, D. E.; Wang, S.; Sharapa, D.; Deschner, B. J.; Sheppard, T. L.; Zimina, A.; Studt, F.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D.
2020. Catalysis science & technology, 10 (14), 4726–4742. doi:10.1039/D0CY00553CFull textFull text of the publication as PDF document
Charge and Exciton Transfer Simulations Using Machine-Learned Hamiltonians.
Krämer, M.; Dohmen, P. M.; Xie, W.; Holub, D.; Christensen, A. S.; Elstner, M.
2020. Journal of chemical theory and computation, 16 (7), 4061–4070. doi:10.1021/acs.jctc.0c00246
How do chemical patterns affect equilibrium droplet shapes?.
Wu, Y.; Wang, F.; Ma, S.; Selzer, M.; Nestler, B.
2020. Soft matter, 16 (26), 6115–6127. doi:10.1039/d0sm00196aFull textFull text of the publication as PDF document
Isotropic Chiral Acoustic Phonons in 3D Quasicrystalline Metamaterials.
Chen, Y.; Kadic, M.; Guenneau, S.; Wegener, M.; Wegener, M.
2020. Physical review letters, 124 (23), Art. Nr.: 235502. doi:10.1103/PhysRevLett.124.235502
Interplay of Electronic and Steric Effects to Yield Low‐Temperature CO Oxidation at Metal Single Sites in Defect‐Engineered HKUST‐1.
Wang, W.; Sharapa, D. I.; Chandresh, A.; Nefedov, A.; Heißler, S.; Heinke, L.; Studt, F.; Wang, Y.; Wöll, C.
2020. Angewandte Chemie / International edition, 59 (26), 10514–10518. doi:10.1002/anie.202000385Full textFull text of the publication as PDF document
Morphological stability of rod-shaped continuous phases.
Wang, F.; Tschukin, O.; Leisner, T.; Zhang, H.; Nestler, B.; Selzer, M.; Cadilha Marques, G.; Aghassi-Hagmann, J.
2020. Acta materialia, 192, 20–29. doi:10.1016/j.actamat.2020.04.028
Computation of Electromagnetic Properties of Molecular Ensembles.
Fernandez‐Corbaton, I.; Beutel, D.; Rockstuhl, C.; Pausch, A.; Klopper, W.
2020. ChemPhysChem, 21 (9), 878–887. doi:10.1002/cphc.202000072Full textFull text of the publication as PDF document
Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors.
Xie, W.; Holub, D.; Kubař, T.; Elstner, M.
2020. Journal of chemical theory and computation, 16 (4), 2071–2084. doi:10.1021/acs.jctc.9b01271
Theoretical Investigations of (Oxidative) Dehydrogenation of Propane to Propylene over Palladium Surfaces.
Araujo-Lopez, E.; Joos, L.; Vandegehuchte, B. D.; Sharapa, D. I.; Studt, F.
2020. The journal of physical chemistry <Washington, DC> / C, 124 (5), 3171–3176. doi:10.1021/acs.jpcc.9b11424
Helicity-Preserving Optical Cavity Modes for Enhanced Sensing of Chiral Molecules.
Feis, J.; Beutel, D.; Köpfler, J.; Garcia-Santiago, X.; Rockstuhl, C.; Wegener, M.; Fernandez-Corbaton, I.
2020. Physical review letters, 124 (3), Article: 033201. doi:10.1103/PhysRevLett.124.033201
Object-Oriented Modeling of a Capacitive Deionization Process.
Lenz, M.; Wagner, R.; Hack, E.; Franzreb, M.
2020. Frontiers in Chemical Engineering, 2, Article: 3. doi:10.3389/fceng.2020.00003Full textFull text of the publication as PDF document
2019
Ultrasound experiments on acoustical activity in chiral mechanical metamaterials.
Frenzel, T.; Köpfler, J.; Jung, E.; Kadic, M.; Wegener, M.
2019. Nature Communications, 10, Art.Nr. 3384. doi:10.1038/s41467-019-11366-8Full textFull text of the publication as PDF document
Nonquasi-Static Capacitance Modeling and Characterization for Printed Inorganic Electrolyte-Gated Transistors in Logic Gates.
Feng, X.; Marques, G. C.; Rasheed, F.; Tahoori, M. B.; Aghassi-Hagmann, J.
2019. IEEE transactions on electron devices, 66 (12), 5272–5277. doi:10.1109/TED.2019.2947787
Disorder compensation controls doping efficiency in organic semiconductors.
Fediai, A.; Symalla, F.; Friederich, P.; Wenzel, W.
2019. Nature Communications, 10 (1), Article: 4547. doi:10.1038/s41467-019-12526-6Full textFull text of the publication as PDF document
A de novo strategy for predictive crystal engineering to tune excitonic coupling.
Haldar, R.; Mazel, A.; Krstić, M.; Zhang, Q.; Jakoby, M.; Howard, I. A.; Richards, B. S.; Jung, N.; Jacquemin, D.; Diring, S.; Wenzel, W.; Odobel, F.; Wöll, C.
2019. Nature Communications, 10 (1), Art.Nr. 2048. doi:10.1038/s41467-019-10011-8Full textFull text of the publication as PDF document
Bottom-Up Assembly of DNA–Silica Nanocomposites into Micrometer-Sized Hollow Spheres.
Hu, Y.; Grösche, M.; Sheshachala, S.; Oelschlaeger, C.; Willenbacher, N.; Rabe, K. S.; Niemeyer, C. M.
2019. Angewandte Chemie / International edition, 58 (48), 17269–17272. doi:10.1002/anie.201910606Full textFull text of the publication as PDF document
Light-Switchable One-Dimensional Photonic Crystals Based on MOFs with Photomodulatable Refractive Index.
Zhang, Z.; Müller, K.; Heidrich, S.; Koenig, M.; Hashem, T.; Schlöder, T.; Bléger, D.; Wenzel, W.; Heinke, L.
2019. The journal of physical chemistry letters, 10 (21), 6626–6633. doi:10.1021/acs.jpclett.9b02614
Insights into Backscattering Suppression in Solar Cells from the Helicity-Preservation Point of View.
Slivina, E.; Abass, A.; Bätzner, D.; Strahm, B.; Rockstuhl, C.; Fernandez-Corbaton, I.
2019. Physical review applied, 12 (5), Art.-Nr. 054003. doi:10.1103/PhysRevApplied.12.054003
Benchmarking Five Global Optimization Approaches for Nano-optical Shape Optimization and Parameter Reconstruction.
Schneider, P.-I.; Garcia Santiago, X.; Soltwisch, V.; Hammerschmidt, M.; Burger, S.; Rockstuhl, C.
2019. ACS photonics, 6 (11), 2726–2733. doi:10.1021/acsphotonics.9b00706
Droplets on chemically patterned surface: A local free-energy minima analysis.
Wu, Y.; Wang, F.; Selzer, M.; Nestler, B.
2019. Physical review / E, 100 (4), Art.Nr. 041102. doi:10.1103/PhysRevE.100.041102
Tailoring the characteristic length scale of 3D chiral mechanical metamaterials.
Ziemke, P.; Frenzel, T.; Wegener, M.; Gumbsch, P.
2019. Extreme mechanics letters, 32, Art:nr. 100553. doi:10.1016/j.eml.2019.100553
Mapping structure and morphology of amorphous organic thin films by 4D-STEM pair distribution function analysis.
Mu, X.; Mazilkin, A. A.; Sprau, C.; Colsmann, A.; Kübel, C.
2019. Microscopy, 68 (4), 301–309. doi:10.1093/jmicro/dfz015
Non-Arrhenius grain growth in strontium titanate: Quantification of bimodal grain growth.
Rheinheimer, W.; Schoof, E.; Selzer, M.; Nestler, B.; Hoffmann, M. J.
2019. Acta materialia, 174, 105–115. doi:10.1016/j.actamat.2019.05.040
Microfluidic Chips for Life Sciences - A Comparison of Low Entry Manufacturing Technologies.
Grösche, M.; Zoheir, A. E.; Stegmaier, J.; Mikut, R.; Mager, D.; Korvink, J. G.; Rabe, K. S.; Niemeyer, C. M.
2019. Small, 15 (35), 1901956. doi:10.1002/smll.201901956
Impact of Intrinsic Capacitances on the Dynamic Performance of Printed Electrolyte-Gated Inorganic Field Effect Transistors.
Feng, X.; Punckt, C.; Marques, G. C.; Hefenbrock, M.; Tahoori, M. B.; Aghassi-Hagmann, J.
2019. IEEE transactions on electron devices, 66 (8), 3365–3370. doi:10.1109/TED.2019.2919933
Photoconductivity in Metal–Organic Framework (MOF) Thin Films.
Liu, X.; Kozlowska, M.; Okkali, T.; Wagner, D.; Higashino, T.; Brenner-Weiß, G.; Marschner, S. M.; Fu, Z.; Zhang, Q.; Imahori, H.; Bräse, S.; Wenzel, W.; Wöll, C.; Heinke, L.
2019. Angewandte Chemie / International edition, 58 (28), 9590–9595. doi:10.1002/anie.201904475
Progress Report on Phase Separation in Polymer Solutions.
Wang, F.; Altschuh, P.; Ratke, L.; Zhang, H.; Selzer, M.; Nestler, B.
2019. Advanced materials, 31 (26), Art.Nr. 1806733. doi:10.1002/adma.201806733Full textFull text of the publication as PDF document
Miniaturized and Automated Synthesis of Biomolecules - Overview and Perspectives.
Mattes, D. S.; Jung, N.; Weber, L. K.; Bräse, S.; Breitling, F.
2019. Advanced materials, 31 (26), Art.Nr. 1806656. doi:10.1002/adma.201806656Full textFull text of the publication as PDF document
Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling.
Sharapa, D. I.; Doronkin, D. E.; Studt, F.; Grunwaldt, J.-D.; Behrens, S.
2019. Advanced materials, 31 (26), Art.Nr. 1807381. doi:10.1002/adma.201807381Full textFull text of the publication as PDF document
Progress Report on “From Printed Electrolyte‐Gated Metal‐Oxide Devices to Circuits”.
Cadilha Marques, G.; Weller, D.; Erozan, A. T.; Feng, X.; Tahoori, M.; Aghassi‐Hagmann, J.
2019. Advanced materials, 31 (26), Article no: 1806483. doi:10.1002/adma.201806483Full textFull text of the publication as PDF document
NH-SCR over V-W/TiO Investigated by Operando X-ray Absorption and Emission Spectroscopy.
Doronkin, D. E.; Benzi, F.; Zheng, L.; Sharapa, D. I.; Amidani, L.; Studt, F.; Roesky, P. W.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D.
2019. The journal of physical chemistry <Washington, DC> / C, 123 (23), 14338–14349. doi:10.1021/acs.jpcc.9b00804Full textFull text of the publication as PDF document
New Twists of 3D Chiral Metamaterials.
Fernandez-Corbaton, I.; Rockstuhl, C.; Ziemke, P.; Gumbsch, P.; Albiez, A.; Schwaiger, R.; Frenzel, T.; Kadic, M.; Wegener, M.
2019. Advanced materials, 31 (26), Art.Nr. 1807742. doi:10.1002/adma.201807742
Toward Design of Novel Materials for Organic Electronics.
Friederich, P.; Fediai, A.; Kaiser, S.; Konrad, M.; Jung, N.; Wenzel, W.
2019. Advanced materials, 31 (26), Art.Nr. 1808256. doi:10.1002/adma.201808256Full textFull text of the publication as PDF document
Correlation between Composition and Mechanical Properties of Calcium Silicate Hydrates Identified by Infrared Spectroscopy and Density Functional Theory.
Izadifar, M.; Königer, F.; Gerdes, A.; Wöll, C.; Thissen, P.
2019. The journal of physical chemistry <Washington, DC> / C, 123 (17), 10868–10873. doi:10.1021/acs.jpcc.8b11920
Chemical Properties of Metal-Silicates Rendered by Metal Exchange Reaction.
Longo, R. C.; Königer, F.; Nefedov, A.; Thissen, P.
2019. ACS sustainable chemistry & engineering, 7 (9), 8449–8457. doi:10.1021/acssuschemeng.9b00157
3D metamaterials.
Kadic, M.; Milton, G. W.; van Hecke, M.; Wegener, M.
2019. Nature reviews, 1 (3), 198–210. doi:10.1038/s42254-018-0018-y
Bunching and Immobilization of Ionic Liquids in Nanoporous Metal–Organic Framework.
Kanj, A. B.; Verma, R.; Liu, M.; Helfferich, J.; Wenzel, W.; Heinke, L.
2019. Nano letters, 19 (3), 2114–2120. doi:10.1021/acs.nanolett.8b04694
Exact Multipolar Decompositions with Applications in Nanophotonics.
Alaee, R.; Rockstuhl, C.; Fernandez-Corbaton, I.
2019. Advanced optical materials, 7 (1), Art. Nr.: 1800783. doi:10.1002/adom.201800783
Variability Modeling for Printed Inorganic Electrolyte-Gated Transistors and Circuits.
Rasheed, F.; Hefenbrock, M.; Beigl, M.; Tahoori, M. B.; Aghassi-Hagmann, J.
2019. IEEE transactions on electron devices, 66 (1), 146–152. doi:10.1109/TED.2018.2867461
Carbohydrate-Based Polymer Brushes Prevent Viral Adsorption on Electrostatically Heterogeneous Interfaces.
Kumar, R.; Kratzer, D.; Cheng, K.; Prisby, J.; Sugai, J.; Giannobile, W. V.; Lahann, J.
2019. Macromolecular rapid communications, 40 (1), Art.Nr. 1800530. doi:10.1002/marc.201800530
Understanding the influence of neighbours on the spheroidization of finite 3-dimensional rods in a lamellar arrangement: Insights from phase-field simulations.
Mittnacht, T.; Amos, P. G. K.; Schneider, D.; Nestler, B.
2019. Proceedings of the 1st International Conference on Numerical Modelling in Engineering : NME 2018, 28-29 August 2018, Ghent, Belgium. Ed.: M. Abdel Wahab, 290–299, Springer. doi:10.1007/978-981-13-2273-0_23
Static chiral Willis continuum mechanics for three-dimensional chiral mechanical metamaterials.
Kadic, M.; Diatta, A.; Frenzel, T.; Guenneau, S.; Wegener, M.
2019. Physical review / B, 99 (21), Art.Nr. 214101. doi:10.1103/PhysRevB.99.214101
Predictive Modeling and Design Automation of Inorganic Printed Electronics.
Rasheed, F.; Hefenbrock, M.; Bishnoi, R.; Beigl, M.; Aghassi-Hagmann, J.; Tahoori, M. B.
2019. Proceedings of the 2019 Design, Automation & Test in Europe (DATE), 25-29 March 2019, Florence, Italy, 30–35, Institute of Electrical and Electronics Engineers (IEEE). doi:10.23919/DATE.2019.8715159
Topologically Protected Twist Edge States for a Resonant Mechanical Laser-Beam Scanner.
Köpfler, J.; Frenzel, T.; Kadic, M.; Schmalian, J.; Wegener, M.
2019. Physical review applied, 11 (3), Art.Nr. 034059. doi:10.1103/PhysRevApplied.11.034059
Achiral, Helicity Preserving, and Resonant Structures for Enhanced Sensing of Chiral Molecules.
Graf, F.; Feis, J.; Garcia-Santiago, X.; Wegener, M.; Rockstuhl, C.; Fernandez-Corbaton, I.
2019. ACS photonics, 6 (2), 482–491. doi:10.1021/acsphotonics.8b01454
Three-dimensional metamaterial Hall-bar devices.
Kern, C.; Wegener, M.
2019. Physical review materials, 3 (1), Art.Nr. 015204. doi:10.1103/PhysRevMaterials.3.015204
Conductance Photoswitching of Metal-Organic Frameworks with Embedded Spiropyran.
Garg, S.; Schwartz, H.; Kozlowska, M.; Kanj, A. B.; Müller, K.; Wenzel, W.; Ruschewitz, U.; Heinke, L.
2019. Angewandte Chemie / International edition, 58 (4), 1193–1197. doi:10.1002/anie.201811458
2018
Anisotropic energy transfer in crystalline chromophore assemblies.
Haldar, R.; Jakoby, M.; Mazel, A.; Zhang, Q.; Welle, A.; Mohamed, T.; Krolla, P.; Wenzel, W.; Diring, S.; Odobel, F.; Richards, B. S.; Howard, I. A.; Wöll, C.
2018. Nature Communications, 9 (1), Art.Nr. 4332. doi:10.1038/s41467-018-06829-3Full textFull text of the publication as PDF document
Templated nanofiber synthesis via chemical vapor polymerization into liquid crystalline films.
Cheng, K. C. K.; Bedolla-Pantoja, M. A.; Kim, Y.-K.; Gregory, J. V.; Xie, F.; De France, A.; Hussal, C.; Sun, K.; Abbott, N. L.; Lahann, J.
2018. Science, 362 (6416), 804–808. doi:10.1126/science.aar8449
Hydrophobic Properties of Calcium-Silicate Hydrates Doped with Rare-Earth Elements.
Burek, K.; Krause, F.; Schwotzer, M.; Nefedov, A.; Süssmuth, J.; Haubitz, T.; Kumke, M. U.; Thissen, P.
2018. ACS sustainable chemistry & engineering, 6 (11), 14669–14678. doi:10.1021/acssuschemeng.8b03244
Soft phonons reveal the nematic correlation length in Ba(Fe0.94Co0.06)₂As₂.
Weber, F.; Parshall, D.; Pintschovius, L.; Castellan, J.-P.; Kauth, M.; Merz, M.; Wolf, T.; Schütt, M.; Schmalian, J.; Fernandes, R. M.; Reznik, D.
2018. Physical review / B, 98 (1), Art.Nr. 014516. doi:10.1103/PhysRevB.98.014516
Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning.
Kranz, J. J.; Kubillus, M.; Ramakrishnan, R.; von Lilienfeld, O. A.; Elstner, M.
2018. Journal of chemical theory and computation, 14 (5), 2341–2352. doi:10.1021/acs.jctc.7b00933
Revealing structure and mechanism of Palladium during direct synthesis of hydrogen peroxide in continuous flow using operando spectroscopy.
Dittmeyer, R.; Selinsek, M.; Deschner, B.; Doronkin, D.; Sheppard, T.; Grunwaldt, J. D.
2018. ACS catalysis, 8 (3), 2546–2557. doi:10.1021/acscatal.7b03514
Switching the Proton Conduction in Nanoporous, Crystalline Materials by Light.
Müller, K.; Helfferich, J.; Zhao, F.; Verma, R.; Kanj, A. B.; Meded, V.; Bléger, D.; Wenzel, W.; Heinke, L.
2018. Advanced materials, 30 (8), Art.Nr. 1706551. doi:10.1002/adma.201706551
Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films.
Friederich, P.; Rodin, V.; Wrochem, F. von; Wenzel, W.
2018. ACS applied materials & interfaces, 10 (2), 1881–1887. doi:10.1021/acsami.7b11762Full textFull text of the publication as PDF document
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules.
Vuong, V. Q.; Akkarapattiakal Kuriappan, J.; Kubillus, M.; Kranz, J. J.; Mast, T.; Niehaus, T. A.; Irle, S.; Elstner, M.
2018. Journal of chemical theory and computation, 14 (1), 115–125. doi:10.1021/acs.jctc.7b00947
When size matters.
Kadic, M.; Frenzel, T.; Wegener, M.
2018. Nature physics, 14 (1), 8–9. doi:10.1038/nphys4287
Friedel oscillations and Majorana zero modes in inhomogeneous superconductors.
Lauke, L.; Scheurer, M. S.; Poenicke, A.; Schmalian, J.
2018. Physical review / B, 98 (13), Art.Nr. 134502. doi:10.1103/PhysRevB.98.134502
2017
Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility.
Friederich, P.; Gómez, V.; Sprau, C.; Meded, V.; Strunk, T.; Jenne, M.; Magri, A.; Symalla, F.; Colsmann, A.; Ruben, M.; Wenzel, W.
2017. Advanced materials, 29 (43), Art.Nr. 1703505. doi:10.1002/adma.201703505Full textFull text of the publication as PDF document
Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing.
Baby, T. T.; Rommel, M.; von Seggern, F.; Friederich, P.; Reitz, C.; Dehm, S.; Kübel, C.; Wenzel, W.; Hahn, H.; Dasgupta, S.
2017. Advanced materials, 29 (4), Art.Nr. 1603858. doi:10.1002/adma.201603858