Publications

2024

Ahrling, R., Mitdank, R., Popp, A., Rehm, J., Akhtar, A., Galazka, Z., & Fischer, S. F. (2024). Resistive and ballistic phonon transport in β-Ga2O3. Physical Review B, 110(8), 085302. https://doi.org/10.1103/PhysRevB.110.085302
Levine, I., Menzel, D., Musiienko, A., MacQueen, R., Romano, N., Vasquez-Montoya, M., Unger, E., Mora Perez, C., Forde, A., Neukirch, A. J., Korte, L., & Dittrich, T. (2024). Revisiting Sub-Band Gap Emission Mechanism in 2D Halide Perovskites: The Role of Defect States. Journal of the American Chemical Society, 146(33), 23437–23448. https://doi.org/10.1021/jacs.4c06621
Schmiedecke, B., Wu, B., Schultz, T., Emerenciano, A. A., Sharma, N., Douglas-Henry, D. A., Koutsioukis, A., Görüryılmaz, M. T., Nicolosi, V., Petit, T., Koch, N., Sofer, Z., & Browne, M. P. (2024). Enhancing the oxygen evolution reaction activity of CuCo based hydroxides with V2CTx MXene. Journal of Materials Chemistry A, 10.1039.D4TA02700K. https://doi.org/10.1039/D4TA02700K
Zhang, Z., Wang, R., Mazzio, K. A., Koch, N., & Adelhelm, P. (2024). Silver Thiophosphate (Ag3PS4) as a Multielectron Reaction Active Material for Lithium Solid‐State Batteries. Energy Technology, 2401040. https://doi.org/10.1002/ente.202401040
Tjhe, D. H. L., Ren, X., Jacobs, I. E., D’Avino, G., Mustafa, T. B. E., Marsh, T. G., Zhang, L., Fu, Y., Mansour, A. E., Opitz, A., Huang, Y., Zhu, W., Unal, A. H., Hoek, S., Lemaur, V., Quarti, C., He, Q., Lee, J.-K., McCulloch, I., … Sirringhaus, H. (2024). Non-equilibrium transport in polymer mixed ionic–electronic conductors at ultrahigh charge densities. Nature Materials. https://doi.org/10.1038/s41563-024-01953-6
Jaiswal, A. K., Saha, P., Jiang, J., Suzuki, K., Jasny, A., Schmidt, B. M., Maeda, S., Hecht, S., & Huang, C.-Y. D. (2024). Accessing a Diverse Set of Functional Red-Light Photoswitches by Selective Copper-Catalyzed Indigo N -Arylation. Journal of the American Chemical Society, jacs.4c03543. https://doi.org/10.1021/jacs.4c03543
Merkel, L., Setaro, A., Halbig, C. E., Shimizu, S., Yoshii, T., Nishihara, H., Hilal, T., Algara-Siller, G., Koch, C., & Eigler, S. (2024). Structural model of oxidatively unzipped narrow single-walled carbon nanotubes. Carbon, 229, 119454. https://doi.org/10.1016/j.carbon.2024.119454
Plaickner, J., Petit, T., Bärmann, P., Schultz, T., Koch, N., & Esser, N. (2024). Surface termination effects on Raman spectra of Ti3C2Tx MXenes: an in situ UHV analysis. Physical Chemistry Chemical Physics, 10.1039.D4CP02197E. https://doi.org/10.1039/D4CP02197E
Yin, X., Yang, L., Zhao, W., Li, Z., Xu, J., Du, Y., Liu, Z., Sun, Y., Deng, Y., Wang, J., Adelhelm, P., Yao, X., Si, R., & Zhou, D. (2024). Synergetic Modulation of Interlayer–Intralayer Spacings for P2-Type Layered Oxide Cathode with Superior Rate Performance. ACS Energy Letters, 3922–3930. https://doi.org/10.1021/acsenergylett.4c01520
Wang, J., Liccardo, L., Habibimarkani, H., Wierzbicka, E., Schultz, T., Koch, N., Moretti, E., & Pinna, N. (2024). Precise control of TiO 2 overlayer on hematite nanorod arrays by ALD for the photoelectrochemical water splitting. Sustainable Energy & Fuels, 10.1039.D3SE01633A. https://doi.org/10.1039/D3SE01633A
Wang, J., Liccardo, L., Habibimarkani, H., Wierzbicka, E., Schultz, T., Koch, N., Moretti, E., & Pinna, N. (2024). Precise control of TiO2 overlayer on hematite nanorod arrays by ALD for the photoelectrochemical water splitting. Sustainable Energy & Fuels, 10.1039.D3SE01633A. https://doi.org/10.1039/D3SE01633A
Zhao, T., Samanta, B., De Irujo-Labalde, X. M., Whang, G., Yadav, N., Kraft, M. A., Adelhelm, P., Hansen, M. R., & Zeier, W. G. (2024). Sodium Metal Oxyhalides NaMOCl4 (M = Nb, Ta) with High Ionic Conductivities. ACS Materials Letters, 3683–3689. https://doi.org/10.1021/acsmaterialslett.4c01145
Xu, M., Li, W., Zhong, M., Yang, J., Gao, M., Pinna, N., & Lu, X. (2024). Trimetallic FeNiMo Nanofibers as High-Efficiency Electrocatalyst for Robust Oxygen Evolution. ACS Materials Letters, 6(8), 3548–3556. https://doi.org/10.1021/acsmaterialslett.4c00930
Nerl, H. C., Ahart, C. S., Eljarrat, A., Koch, C. T., Cucinotta, C. S., & Plodinec, M. (2024). Transitional surface Pt carbide formation during carbon nanotube growth. Carbon, 228, 119399. https://doi.org/10.1016/j.carbon.2024.119399
Bauer, S., Benner, P., Bereau, T., Blum, V., Boley, M., Carbogno, C., Catlow, C. R. A., Dehm, G., Eibl, S., Ernstorfer, R., Fekete, Á., Foppa, L., Fratzl, P., Freysoldt, C., Gault, B., Ghiringhelli, L. M., Giri, S. K., Gladyshev, A., Goyal, P., … Scheffler, M. (2024). Roadmap on data-centric materials science. Modelling and Simulation in Materials Science and Engineering, 32(6), 063301. https://doi.org/10.1088/1361-651X/ad4d0d
Simon, J. R., Maksimov, D., Lotze, C., Wiechers, P., Felipe, J. P. G., Kobin, B., Schwarz, J., Hecht, S., Franke, K. J., & Rossi, M. (2024). Atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS 2. Physical Review B, 110(4), 045407. https://doi.org/10.1103/PhysRevB.110.045407
Xu, J., Han, P., Jin, Y., Lu, H., Sun, B., Gao, B., He, T., Xu, X., Pinna, N., & Wang, G. (2024). Hybrid Molecular Sieve-Based Interfacial Layer with Physical Confinement and Desolvation Effect for Dendrite-free Zinc Metal Anodes. ACS Nano, 18(28), 18592–18603. https://doi.org/10.1021/acsnano.4c04632
Pela, R. R., & Draxl, C. (2024). Speeding up all-electron real-time TDDFT demonstrated by the exciting package. Computer Physics Communications, 304, 109292. https://doi.org/10.1016/j.cpc.2024.109292
Zhang, Z., Dong, D., Bösking, T., Dang, T., Liu, C., Sun, W., Xie, M., Hecht, S., & Li, T. (2024). Solar Azo‐Switches for Effective EZ Photoisomerization by Sunlight. Angewandte Chemie International Edition, 63(31), e202404528. https://doi.org/10.1002/anie.202404528
Zhang, W., Liu, Y., Jeppesen, H. S., & Pinna, N. (2024). Stöber method to amorphous metal-organic frameworks and coordination polymers. Nature Communications, 15(1), 5463. https://doi.org/10.1038/s41467-024-49772-2
Affonço, L. J., Fernandes, S. L., Assunção, J. P. F., Dagar, J., Graeff, C. F. D. O., Da Silva, J. H. D., & Unger, E. (2024). Slot-die coating of niobium pentoxide applied as electron transport layer for perovskite solar cells. Solar Energy, 276, 112691. https://doi.org/10.1016/j.solener.2024.112691
Gierster, L., Turkina, O., Deinert, J., Vempati, S., Baeta, E., Garmshausen, Y., Hecht, S., Draxl, C., & Stähler, J. (2024). Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation. Advanced Science, 2403765. https://doi.org/10.1002/advs.202403765
Geisler, J., Pfeiffer, L., A. Ferrero, G., Axmann, P., & Adelhelm, P. (2024). Setup Design and Data Evaluation for DEMS in Sodium Ion Batteries, Demonstrated on a Mn‐Rich Cathode Material. Batteries & Supercaps, 7(7), e202400006. https://doi.org/10.1002/batt.202400006
Liu, Y., Wang, Y., & Pinna, N. (2024). Atomically Precise Metal Nanoclusters for Photocatalytic Water Splitting. ACS Materials Letters, 6(7), 2995–3006. https://doi.org/10.1021/acsmaterialslett.4c00622
Speulmanns, J., Bönhardt, S., Weinreich, W., & Adelhelm, P. (2024). Interface‐Engineered Atomic Layer Deposition of 3D Li4Ti5O12 for High‐Capacity Lithium‐Ion 3D Thin‐Film Batteries. Small, 2403453. https://doi.org/10.1002/smll.202403453
Triolo, C., Maisuradze, M., Liu, Y., Li, M., Pagot, G., Ponti, A., Di Noto, V., Aquilanti, G., Pinna, N., Giorgetti, M., & Santangelo, S. (2024). Role of the Microstructure in the Li-Storage Performance of Spinel-Structured High-Entropy (Mn,Fe,Co,Ni,Zn) Oxide Nanofibers. Journal of The Electrochemical Society, 171(6), 060509. https://doi.org/10.1149/1945-7111/ad51aa
Vogt, S., Petersen, C., Von Wenckstern, H., Grundmann, M., Schultz, T., & Koch, N. (2024). Zr doping in pulsed-laser-deposited α-Ga2O3 for device applications. Physical Review Applied, 21(6), 064016. https://doi.org/10.1103/PhysRevApplied.21.064016
Li, G., Liu, Y., Schultz, T., Exner, M., Muydinov, R., Wang, H., Scheurell, K., Huang, J., Szymoniak, P., Pinna, N., Koch, N., Adelhelm, P., & Bojdys, M. J. (2024). One‐Pot Synthesis of High‐Capacity Sulfur Cathodes via In‐Situ Polymerization of a Porous Imine‐Based Polymer. Angewandte Chemie International Edition, 63(28), e202400382. https://doi.org/10.1002/anie.202400382
Yang, W., Zhao, X., Guo, Z., Sun, H., & List-Kratochvil, E. J. W. (2024). A compact tri-notched flexible UWB antenna based on an inkjet-printable and plasma-activated silver nano ink. Scientific Reports, 14(1), 11407. https://doi.org/10.1038/s41598-024-62253-2
Wei, X., Li, K., Zhu, D., Pinna, N., Zhu, Y., & Quan, T. (2024). Template-free synthesis of Co4S3 nanotubes derived from urchin-like clusters for sustainable molten-state high-temperature lithium battery applications. Journal of Energy Storage, 91, 111988. https://doi.org/10.1016/j.est.2024.111988
Riesebeck, F., Mathies, F., Yoo, D., Trofimov, S., Unger, E., & Becker, C. (2024). Investigation of perovskite layer growth from solution on textured substrates. EPJ Photovoltaics, 15, 19. https://doi.org/10.1051/epjpv/2024017
Kwon, N., Song, S. H., Jin, J., Kim, S., Kim, K., Hwang, G. W., Yi, Y., Oh, S. J., Koch, N., Kim, Y.-H., Hwang, D. K., & Park, S. (2024). The influence of ligands passivation on strength of Fermi level pinning in the quantum dots interface. Applied Surface Science, 664, 160235. https://doi.org/10.1016/j.apsusc.2024.160235
Remec, M., Tomšič, Š., Khenkin, M., Emery, Q., Li, J., Scheler, F., Glažar, B., Jankovec, M., Jošt, M., Unger, E., Albrecht, S., Schlatmann, R., Lipovšek, B., Ulbrich, C., & Topič, M. (2024). From Sunrise to Sunset: Unraveling Metastability in Perovskite Solar Cells by Coupled Outdoor Testing and Energy Yield Modelling. Advanced Energy Materials, 2304452. https://doi.org/10.1002/aenm.202304452
Granato, A., Phillips, W. A., Schulz, J. M., Suzuki, M., & Larkum, M. E. (2024). Dysfunctions of cellular context-sensitivity in neurodevelopmental learning disabilities. Neuroscience & Biobehavioral Reviews, 161, 105688. https://doi.org/10.1016/j.neubiorev.2024.105688
Chiatti, O., Boy, J., Heyn, C., Hansen, W., & Fischer, S. F. (2024). In-plane gate induced transition asymmetry of spin-resolved Landau levels in InAs-based quantum wells. APL Materials, 12(5), 051107. https://doi.org/10.1063/5.0203097
Düzel, B., Riha, C., Graser, K., Chiatti, O., & Fischer, S. F. (2024). Low-temperature magnetoresistance hysteresis in vanadium-doped Bi2−xTe2.4Se0.6 bulk topological insulators. Applied Physics Letters, 124(18), 183101. https://doi.org/10.1063/5.0203789
Kaplan, C., Restrepo, R. M., Schultz, T., Li, K., Nicolosi, V., Koch, N., & Browne, M. P. (2024). Effect of the synthesis route and Co Coverage on Co / Ti3C2Tx materials for the oxygen evolution reaction. Electrochimica Acta, 490, 144269. https://doi.org/10.1016/j.electacta.2024.144269
Hannappel, T., Shekarabi, S., Jaegermann, W., Runge, E., Hofmann, J. P., Van De Krol, R., May, M. M., Paszuk, A., Hess, F., Bergmann, A., Bund, A., Cierpka, C., Dreßler, C., Dionigi, F., Friedrich, D., Favaro, M., Krischok, S., Kurniawan, M., Lüdge, K., … Zhang, H. (2024). Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective. Solar RRL, 2301047. https://doi.org/10.1002/solr.202301047
Chen, Y., Wang, H., Chen, H., Zhang, W., Pätzel, M., Han, B., Wang, K., Xu, S., Montes‐García, V., McCulloch, I., Hecht, S., & Samorì, P. (2024). Li Promoting Long Afterglow Organic Light‐Emitting Transistor for Memory Optocoupler Module. Advanced Materials, 2402515. https://doi.org/10.1002/adma.202402515
Evans, M. L., Bergsma, J., Merkys, A., Andersen, C. W., Andersson, O. B., Beltrán, D., Blokhin, E., Boland, T. M., Castañeda Balderas, R., Choudhary, K., Díaz Díaz, A., Domínguez García, R., Eckert, H., Eimre, K., Fuentes Montero, M. E., Krajewski, A. M., Mortensen, J. J., Nápoles Duarte, J. M., Pietryga, J., … Armiento, R. (2024). Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital Discovery, 10.1039.D4DD00039K. https://doi.org/10.1039/D4DD00039K
Rodrigues Pela, R., Vona, C., Lubeck, S., Alex, B., Gonzalez Oliva, I., & Draxl, C. (2024). Critical assessment of G0W0 calculations for 2D materials: the example of monolayer MoS2. Npj Computational Materials, 10(1), 77. https://doi.org/10.1038/s41524-024-01253-2
El‐Refaei, S. M., Russo, P. A., Schultz, T., Chen, Z., Amsalem, P., Koch, N., & Pinna, N. (2024). Activating Ru in the pyramidal sites of Ru2P‐type structures with earth‐abundant transition metals for achieving extremely high HER activity while minimizing noble metal content. Carbon Energy, e556. https://doi.org/10.1002/cey2.556
Carretero-Guillén, A., Treviño, M., Gómez-Climent, M. Á., Dogbevia, G. K., Bertocchi, I., Sprengel, R., Larkum, M. E., Vlachos, A., Gruart, A., Delgado-García, J. M., & Hasan, M. T. (2024). Dentate gyrus is needed for memory retrieval. Molecular Psychiatry. https://doi.org/10.1038/s41380-024-02546-0
Goodwin, L. E., Ziegler, M., Till, P., Nazer, N., Adelhelm, P., Zeier, W. G., Richter, F. H., & Janek, J. (2024). Halide and Sulfide Electrolytes in Cathode Composites for Sodium All-Solid-State Batteries and their Stability. ACS Applied Materials & Interfaces, 16(15), 19792–19805. https://doi.org/10.1021/acsami.4c01652
Protik, N. H., & Draxl, C. (2024). Beyond the Tamura model of phonon-isotope scattering. Physical Review B, 109(16), 165201. https://doi.org/10.1103/PhysRevB.109.165201
Zupancic, M., Aggoune, W., Gloter, A., Hoffmann, G., Schmidt, F.-P., Galazka, Z., Pfützenreuter, D., Riaz, A. A., Schlueter, C., Amari, H., Regoutz, A., Schwarzkopf, J., Lunkenbein, T., Bierwagen, O., Draxl, C., & Albrecht, M. (2024). Polar discontinuity governs surface segregation and interface termination: A case study of LaInO3 / BaSnO3. Physical Review Materials, 8(3), 034602. https://doi.org/10.1103/PhysRevMaterials.8.034602
Thiesbrummel, J., Shah, S., Gutierrez-Partida, E., Zu, F., Peña-Camargo, F., Zeiske, S., Diekmann, J., Ye, F., Peters, K. P., Brinkmann, K. O., Caprioglio, P., Dasgupta, A., Seo, S., Adeleye, F. A., Warby, J., Jeangros, Q., Lang, F., Zhang, S., Albrecht, S., … Stolterfoht, M. (2024). Ion-induced field screening as a dominant factor in perovskite solar cell operational stability. Nature Energy. https://doi.org/10.1038/s41560-024-01487-w
Yang, W., Guo, Z., Zhao, X., Zhang, X., & List-Kratochvil, E. J. W. (2024). Insight into the Types of Alkanolamines on the Properties of Copper(II) Formate-Based Conductive Ink. Langmuir, 40(13), 7095–7105. https://doi.org/10.1021/acs.langmuir.4c00221
Tirrito, M., Manley, P., Becker, C., Unger, E., & Borgström, M. T. (2024). Optical Analysis of Perovskite III-V Nanowires Interpenetrated Tandem Solar Cells. Nanomaterials, 14(6), 518. https://doi.org/10.3390/nano14060518
Guo, J., Xu, Y., Exner, M., Huang, X., Li, Y., Liu, Y., Wang, H., Kowal, J., Zhang, Q., Kristensen, P. K., Wang, D., Pedersen, K., Gurevich, L., Stroe, D., & Adelhelm, P. (2024). Unravelling the Mechanism of Pulse Current Charging for Enhancing the Stability of Commercial LiNi0.5Mn0.3Co0.2O2 /Graphite Lithium‐Ion Batteries. Advanced Energy Materials, 2400190. https://doi.org/10.1002/aenm.202400190

2023

 

Lvov, A. G., Klimenko, L. S., Bykov, V. N., & Hecht, S. (2023). Revisiting Peri‐Aryloxyquinones: From a Forgotten Photochromic System to a Promising Tool for Emerging Applications. Chemistry – A European Journal, e202303654. https://doi.org/10.1002/chem.202303654
Zorn Morales, N., Severin, N., Rabe, J. P., Kirstein, S., List‐Kratochvil, E., & Blumstengel, S. (2023). Resonance Energy Transfer from Monolayer WS2 to Organic Dye Molecules: Conversion of Faint Visible‐Red into Bright Near‐Infrared Luminescence. Advanced Optical Materials, 11(24), 2301057. https://doi.org/10.1002/adom.202301057
Vona, C., Lubeck, S., Kleine, H., Gulans, A., & Draxl, C. (2023). Accurate and efficient treatment of spin-orbit coupling via second variation employing local orbitals. Physical Review B, 108(23), 235161. https://doi.org/10.1103/PhysRevB.108.235161
Yan, S., Chen, X., Li, W., Zhong, M., Xu, J., Xu, M., Wang, C., Pinna, N., & Lu, X. (2023). Highly Active and Stable Alkaline Hydrogen Evolution Electrocatalyst Based on Ir‐Incorporated Partially Oxidized Ru Aerogel under Industrial‐Level Current Density. Advanced Science, 2307061. https://doi.org/10.1002/advs.202307061
Beyranvand, F., Khosravi, A., Zabihi, F., Nemati, M., Gholami, M. F., Tavakol, M., Beyranvand, S., Satari, S., Rabe, J. P., Salimi, A., Cheng, C., & Adeli, M. (2023). Synthesis of Chiral Triazine Frameworks for Enantiodiscrimination. ACS Applied Materials & Interfaces, 15(48), 56213–56222. https://doi.org/10.1021/acsami.3c16659
Hübner, A., Rigamonti, S., & Draxl, C. (2023). Gauge invariance of the thermal conductivity in the quantum regime. Physical Review B, 108(24), 245201. https://doi.org/10.1103/PhysRevB.108.245201
Zu, F., Shin, D., Gutierrez‐Partida, E., Stolterfoht, M., Amsalem, P., & Koch, N. (2023). Charge Selective Contacts to Metal Halide Perovskites Studied with Photoelectron Spectroscopy: X‐Ray, Ultraviolet, and Visible Light Induced Energy Level Realignment. Advanced Materials Interfaces, 10(34), 2300413. https://doi.org/10.1002/admi.202300413
Stüwe, L., Geiger, M., Röllgen, F., Heinze, T., Reuter, M., Wessling, M., Hecht, S., & Linkhorst, J. (2023). Continuous Volumetric 3D Printing: Xolography in Flow. Advanced Materials, 2306716. https://doi.org/10.1002/adma.202306716
Kim, K., Kang, D., Blumstengel, S., Morales, N. Z., List-Kratochvil, E. J. W., Cho, S. W., Lee, H., Park, S., & Yi, Y. (2023). Enhancing photostability of 2D Ruddlesden–Popper perovskite via molecular acceptor passivation of metallic lead defects. Applied Physics Reviews, 10(4), 041411. https://doi.org/10.1063/5.0157930
Aru, J., Larkum, M. E., & Shine, J. M. (2023). The feasibility of artificial consciousness through the lens of neuroscience. Trends in Neurosciences, 46(12), 1008–1017. https://doi.org/10.1016/j.tins.2023.09.009
Skrodczky, K., Antunes, M. M., Zhu, Q., Valente, A. A., Pinna, N., & Russo, P. A. (2023). Single-Step Formation of Metal Oxide Nanostructures Wrapped in Mesoporous Silica and Silica–Niobia Catalysts for the Condensation of Furfural with Acetone. Nanomaterials, 13(23), 3046. https://doi.org/10.3390/nano13233046
Ledderose, J. M. T., Zolnik, T. A., Toumazou, M., Trimbuch, T., Rosenmund, C., Eickholt, B. J., Jaeger, D., Larkum, M. E., & Sachdev, R. N. S. (2023). Layer 1 of somatosensory cortex: an important site for input to a tiny cortical compartment. Cerebral Cortex, 33(23), 11354–11372. https://doi.org/10.1093/cercor/bhad371
Schultz, C., Fenske, M., Dion-Bertrand, L.-I., Gélinas, G., Marcet, S., Dagar, J., Bartelt, A., Schlatmann, R., Unger, E., & Stegemann, B. (2023). Hyperspectral Photoluminescence Imaging for Spatially Resolved Determination of Electrical Parameters of Laser‐Patterned Perovskite Solar Cells. Solar RRL, 7(22), 2300538. https://doi.org/10.1002/solr.202300538
Maslyanchuk, O., Paramasivam, G., Sarisozen, S., Heuer, A., Stolterfoht, M., Neher, D., Maticiuc, N., Unger, E., & Lang, F. (2023). Toward Understanding the Spectroscopic Performance and Charge Transport Mechanisms of Methylammonium Lead Tribromide Perovskite X- and γ -Rays Detectors. IEEE Transactions on Nuclear Science, 70(12), 2659–2667. https://doi.org/10.1109/TNS.2023.3334561
Bertocchi, I., Rocha-Almeida, F., Romero-Barragán, M. T., Cambiaghi, M., Carretero-Guillén, A., Botta, P., Dogbevia, G. K., Treviño, M., Mele, P., Oberto, A., Larkum, M. E., Gruart, A., Sprengel, R., Delgado-García, J. M., & Hasan, M. T. (2023). Pre- and postsynaptic N-methyl-D-aspartate receptors are required for sequential printing of fear memory engrams. IScience, 26(11), 108050. https://doi.org/10.1016/j.isci.2023.108050
Triolo, C., Maisuradze, M., Li, M., Liu, Y., Ponti, A., Pagot, G., Di Noto, V., Aquilanti, G., Pinna, N., Giorgetti, M., & Santangelo, S. (2023). Charge Storage Mechanism in Electrospun Spinel‐Structured High‐Entropy (Mn0.2Fe0.2Co0.2Ni0.2Zn0.2)3O4 Oxide Nanofibers as Anode Material for Li‐Ion Batteries. Small, 19(46), 2304585. https://doi.org/10.1002/smll.202304585
Vílchez-Cózar, Á., Colodrero, R. M. P., Bazaga-García, M., Marrero-López, D., El-refaei, S. M., Russo, P. A., Pinna, N., Olivera-Pastor, P., & Cabeza, A. (2023). Tuning the activity of cobalt 2-hydroxyphosphonoacetates-derived electrocatalysts for water splitting and oxygen reduction: Insights into the local order by pair distribution function analysis. Applied Catalysis B: Environmental, 337, 122963. https://doi.org/10.1016/j.apcatb.2023.122963
Munn, B. R., Müller, E. J., Aru, J., Whyte, C. J., Gidon, A., Larkum, M. E., & Shine, J. M. (2023). A thalamocortical substrate for integrated information via critical synchronous bursting. Proceedings of the National Academy of Sciences, 120(46), e2308670120. https://doi.org/10.1073/pnas.2308670120
Chen, Y., Wang, H., Chen, H., Zhang, W., Xu, S., Pätzel, M., Ma, C., Wang, C., McCulloch, I., Hecht, S., & Samorì, P. (2023). Quasi‐1D Polymer Semiconductor–Diarylethene Blends: High Performance Optically Switchable Transistors. Advanced Functional Materials, 33(46), 2305494. https://doi.org/10.1002/adfm.202305494
Funk, H., Binyamin, T., Etgar, L., Shargaieva, O., Unold, T., Eljarrat, A., Koch, C. T., & Abou-Ras, D. (2023). Phase Segregation Mechanisms in Mixed-Halide CsPb(BrxI1–x )3 Nanocrystals in Dependence of Their Sizes and Their Initial [Br]:[I] Ratios. ACS Materials Au, 3(6), 687–698. https://doi.org/10.1021/acsmaterialsau.3c00056
Xu, W., Xu, Y., Grzimek, V., Martin, A., Schultz, T., Russo, P. A., Lu, Y., Koch, N., & Pinna, N. (2023). Insights into the kinetics–morphology relationship of 1-, 2-, and 3D TiNb2O7 anodes for Li-ion storage. Nano Research. https://doi.org/10.1007/s12274-023-6201-1
Zorn Morales, N., Rühl, D. S., Sadofev, S., Ligorio, G., List-Kratochvil, E., Kewes, G., & Blumstengel, S. (2023). Strong coupling of monolayer WS2 excitons and surface plasmon polaritons in a planar Ag/WS2 hybrid structure. Physical Review B, 108(16), 165426. https://doi.org/10.1103/PhysRevB.108.165426
Triolo, C., Moulaee, K., Ponti, A., Pagot, G., Di Noto, V., Pinna, N., Neri, G., & Santangelo, S. (2023). Spinel‐Structured High‐Entropy Oxide Nanofibers as Electrocatalysts for Oxygen Evolution in Alkaline Solution: Effect of Metal Combination and Calcination Temperature. Advanced Functional Materials, 2306375. https://doi.org/10.1002/adfm.202306375
Gatsios, C., Opitz, A., Lungwitz, D., Mansour, A. E., Schultz, T., Shin, D., Hammer, S., Pflaum, J., Zhang, Y., Barlow, S., Marder, S. R., & Koch, N. (2023). Surface doping of rubrene single crystals by molecular electron donors and acceptors. Physical Chemistry Chemical Physics, 25(43), 29718–29726. https://doi.org/10.1039/D3CP03640E
Iqbal, Z., Zu, F., Musiienko, A., Gutierrez-Partida, E., Köbler, H., Gries, T. W., Sannino, G. V., Canil, L., Koch, N., Stolterfoht, M., Neher, D., Pavone, M., Muñoz-García, A. B., Abate, A., & Wang, Q. (2023). Interface Modification for Energy Level Alignment and Charge Extraction in CsPbI 3 Perovskite Solar Cells. ACS Energy Letters, 8(10), 4304–4314. https://doi.org/10.1021/acsenergylett.3c01522
Mansour, A. E., Warren, R., Lungwitz, D., Forster, M., Scherf, U., Opitz, A., Malischewski, M., & Koch, N. (2023). Coordination of Tetracyanoquinodimethane-Derivatives with Tris(pentafluorophenyl)borane Provides Stronger p-Dopants with Enhanced Stability. ACS Applied Materials & Interfaces, 15(39), 46148–46156. https://doi.org/10.1021/acsami.3c10373
Yu, J., Shen, Z., Lu, W., Zhu, Y., Liu, Y.-X., Neher, D., Koch, N., & Lu, G. (2023). Composition Waves in Solution‐Processed Organic Films and Its Propagations from Kinetically Frozen Surface Mesophases. Advanced Functional Materials, 33(40), 2302089. https://doi.org/10.1002/adfm.202302089
Liu, Y., Li, Z., Liu, X.-H., Pinna, N., & Wang, Y. (2023). Atomically precise AuxAg25−x nanoclusters with a modulated interstitial Au–Ag microenvironment for enhanced visible-light-driven photocatalytic hydrogen evolution. Nanoscale Horizons, 8(10), 1435–1439. https://doi.org/10.1039/D3NH00235G
Grützmacher, S., Heyl, M., Nardi, M. V., Koch, N., List‐Kratochvil, E. J. W., & Ligorio, G. (2023). Local Manipulation of the Energy Levels of 2D TMDCs on the Microscale Level via Microprinted Self‐Assembled Monolayers. Advanced Materials Interfaces, 10(27), 2300276. https://doi.org/10.1002/admi.202300276
Gonzalez Oliva, I., Maurer, B., Alex, B., Tillack, S., Schebek, M., & Draxl, C. (2023). Hybrid Materials: Still Challenging for Ab Initio Theory? Physica Status Solidi (a), 221(1), 2300170. https://doi.org/10.1002/pssa.202300170
Müller, S., Sparka, J. A., Kuban, M., Draxl, C., & Grunske, L. (2023). Grammar‐based fuzzing of data integration parsers in computational materials science. Software: Practice and Experience, 54(2), 208–224. https://doi.org/10.1002/spe.3266
Li, G., Hu, Y., Li, M., Tang, Y., Zhang, Z., Musiienko, A., Cao, Q., Akhundova, F., Li, J., Prashanthan, K., Yang, F., Janasik, P., Appiah, A. N. S., Trofimov, S., Livakas, N., Zuo, S., Wu, L., Wang, L., Yang, Y., … Abate, A. (2023). Managing Excess Lead Iodide with Functionalized Oxo‐Graphene Nanosheets for Stable Perovskite Solar Cells. Angewandte Chemie International Edition, 62(39), e202307395. https://doi.org/10.1002/anie.202307395
Ghiringhelli, L. M., Baldauf, C., Bereau, T., Brockhauser, S., Carbogno, C., Chamanara, J., Cozzini, S., Curtarolo, S., Draxl, C., Dwaraknath, S., Fekete, Á., Kermode, J., Koch, C. T., Kühbach, M., Ladines, A. N., Lambrix, P., Himmer, M.-O., Levchenko, S. V., Oliveira, M., … Scheffler, M. (2023). Shared metadata for data-centric materials science. Scientific Data, 10(1), 626. https://doi.org/10.1038/s41597-023-02501-8
Juergensen, S., Kessens, M., Berrezueta-Palacios, C., Severin, N., Ifland, S., Rabe, J. P., Mueller, N. S., & Reich, S. (2023). Collective States in Molecular Monolayers on 2D Materials. ACS Nano, 17(17), 17350–17358. https://doi.org/10.1021/acsnano.3c05384
Zhang, W., & Pinna, N. (2023). Integration of Noble Metal Nanocrystals in a Hollow Metal–Organic Framework Shell. Chemistry of Materials, 35(17), 6799–6807. https://doi.org/10.1021/acs.chemmater.3c01112
Saliba, M., Unger, E., Etgar, L., Luo, J., & Jacobsson, T. J. (2023). A systematic discrepancy between the short circuit current and the integrated quantum efficiency in perovskite solar cells. Nature Communications, 14(1), 5445. https://doi.org/10.1038/s41467-023-41263-0
Li, J., Dagar, J., Shargaieva, O., Maus, O., Remec, M., Emery, Q., Khenkin, M., Ulbrich, C., Akhundova, F., Márquez, J. A., Unold, T., Fenske, M., Schultz, C., Stegemann, B., Al‐Ashouri, A., Albrecht, S., Esteves, A. T., Korte, L., Köbler, H., … Unger, E. (2023). Ink Design Enabling Slot‐Die Coated Perovskite Solar Cells with >22% Power Conversion Efficiency, Micro‐Modules, and 1 Year of Outdoor Performance Evaluation. Advanced Energy Materials, 13(33), 2203898. https://doi.org/10.1002/aenm.202203898
Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky, J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese, L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gygi, F., Gulans, A., … Perez, D. (2023). Roadmap on electronic structure codes in the exascale era. Modelling and Simulation in Materials Science and Engineering, 31(6), 063301. https://doi.org/10.1088/1361-651X/acdf06
Kim, Y., Gensler, M., Kim, J., Janietz, S., Völkel, C., Boeffel, C., Solak, S., Hermerschmidt, F., List-Kratochvil, E. J. W., Han, C. J., Oh, M. S., Park, K., & Wedel, A. (2023). 69‐4: Late‐News Paper: Quantum Dot/Organic Nanohybrids for InP‐based QD‐LEDs and Their Patterning via Electrohydrodynamic Jet Printing. SID Symposium Digest of Technical Papers, 54(1), 982–985. https://doi.org/10.1002/sdtp.16732
Niu, W., Fu, Y., Serra, G., Liu, K., Droste, J., Lee, Y., Ling, Z., Xu, F., Cojal González, J. D., Lucotti, A., Rabe, J. P., Ryan Hansen, M., Pisula, W., Blom, P. W. M., Palma, C., Tommasini, M., Mai, Y., Ma, J., & Feng, X. (2023). Bottom‐up Solution Synthesis of Graphene Nanoribbons with Precisely Engineered Nanopores. Angewandte Chemie International Edition, 62(35), e202305737. https://doi.org/10.1002/anie.202305737
Fabozzi, F. G., Severin, N., Rabe, J. P., & Hecht, S. (2023). Room Temperature On-Surface Synthesis of a Vinylene-Linked Single Layer Covalent Organic Framework. Journal of the American Chemical Society, 145(33), 18205–18209. https://doi.org/10.1021/jacs.3c04730
Wang, J., Russo, P. A., & Pinna, N. (2023). Impact of Surface Hydroxyl Groups on CuO Film Growth by Atomic Layer Deposition. Langmuir, 39(33), 11603–11609. https://doi.org/10.1021/acs.langmuir.3c01109
Taffelli, A., Heyl, M., Favaro, M., Dirè, S., Pancheri, L., List-Kratochvil, E. J. W., Quaranta, A., & Ligorio, G. (2023). Demonstrating the high sensitivity of MoS2 monolayers in direct x-ray detectors. APL Materials, 11(8), 081101. https://doi.org/10.1063/5.0151794
Huang, C. (Dennis), & Hecht, S. (2023). A Blueprint for Transforming Indigos to Photoresponsive Molecular Tools. Chemistry – A European Journal, 29(43), e202300981. https://doi.org/10.1002/chem.202300981
Shen, X., Gallant, B. M., Holzhey, P., Smith, J. A., Elmestekawy, K. A., Yuan, Z., Rathnayake, P. V. G. M., Bernardi, S., Dasgupta, A., Kasparavicius, E., Malinauskas, T., Caprioglio, P., Shargaieva, O., Lin, Y., McCarthy, M. M., Unger, E., Getautis, V., Widmer‐Cooper, A., Herz, L. M., & Snaith, H. J. (2023). Chloride‐Based Additive Engineering for Efficient and Stable Wide‐Bandgap Perovskite Solar Cells. Advanced Materials, 35(30), 2211742. https://doi.org/10.1002/adma.202211742
Haas, B., Boland, T. M., Elsässer, C., Singh, A. K., March, K., Barthel, J., Koch, C. T., & Rez, P. (2023). Atomic Resolution Mapping of Localized Phonon Modes in Silicon Grain Boundaries. Microscopy and Microanalysis, 29(Supplement_1), 618–619. https://doi.org/10.1093/micmic/ozad067.300
Haas, B., Radtke, G., Quillin, S. C., Lovejoy, T. C., Dellby, N., Krivanek, O. L., Hammud, A., Schröder, T., & Koch, C. T. (2023). Mapping Phonon Dispersion Surfaces at Nanometer Scale. Microscopy and Microanalysis, 29(Supplement_1), 356–357. https://doi.org/10.1093/micmic/ozad067.166
Haas, B., Boland, T. M., Elsässer, C., Singh, A. K., March, K., Barthel, J., Koch, C. T., & Rez, P. (2023). Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries. Nano Letters, 23(13), 5975–5980. https://doi.org/10.1021/acs.nanolett.3c01089
Mariotti, S., Köhnen, E., Scheler, F., Sveinbjörnsson, K., Zimmermann, L., Piot, M., Yang, F., Li, B., Warby, J., Musiienko, A., Menzel, D., Lang, F., Keßler, S., Levine, I., Mantione, D., Al-Ashouri, A., Härtel, M. S., Xu, K., Cruz, A., … Albrecht, S. (2023). Interface engineering for high-performance, triple-halide perovskite–silicon tandem solar cells. Science, 381(6653), 63–69. https://doi.org/10.1126/science.adf5872
Kabalan, L., Kowalec, I., Rigamonti, S., Troppenz, M., Draxl, C., Catlow, C. R. A., & Logsdail, A. J. (2023). Investigation of the Pd(1−x) Znx alloy phase diagram using ab initio modelling approaches. Journal of Physics: Condensed Matter, 35(40), 405402. https://doi.org/10.1088/1361-648X/ace01a

2022

Hoock, B., Rigamonti, S., & Draxl, C. (2022). Advancing descriptor search in materials science: feature engineering and selection strategies. New Journal of Physics, 24(11), 113049. https://doi.org/10.1088/1367-2630/aca49c
Taffelli, A., Ligorio, G., Pancheri, L., Quaranta, A., Ceccato, R., Chiappini, A., Nardi, M. V., List-Kratochvil, E. J. W., & Dirè, S. (2022). Large area MoS2 films fabricated via sol-gel used for photodetectors. Optical Materials, 135, 113257. https://doi.org/10.1016/j.optmat.2022.113257
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