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.
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.
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.
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.
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.
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.
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.
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.
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.
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 Ru 2 P‐type structures with earth‐abundant transition metals for achieving extremely high HER activity while minimizing noble metal content. Carbon Energy, e556.
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.
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.
Protik, N. H., & Draxl, C. (2024). Beyond the Tamura model of phonon-isotope scattering. Physical Review B, 109(16), 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.
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.
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.
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.
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.
Jaekel, S., Stoll, R., Berger, F., Hecht, S., & Grill, L. (2024). Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups. Surface Science, 744, 122468.
Antunes, M. M., Skrodczky, K., Cabanelas, P. S., Pinna, N., Russo, P. A., & Valente, A. A. (2024). Chemical valorisation of biomass derived furanics and carboxylic acids over niobium-based catalysts. Green Chemistry, 10.1039.D4GC00207E.
Zhang, W., & Pinna, N. (2024). Metal Organic Frameworks Synthesis: The Versatility of Triethylamine. Chemistry – A European Journal, e202304256.
Zolnik, T. A., Bronec, A., Ross, A., Staab, M., Sachdev, R. N. S., Molnár, Z., Eickholt, B. J., & Larkum, M. E. (2024). Layer 6b controls brain state via apical dendrites and the higher-order thalamocortical system. Neuron, S0896627323008954.
Storm, J. F., Klink, P. C., Aru, J., Senn, W., Goebel, R., Pigorini, A., Avanzini, P., Vanduffel, W., Roelfsema, P. R., Massimini, M., Larkum, M. E., & Pennartz, C. M. A. (2024). An integrative, multiscale view on neural theories of consciousness. Neuron, S0896627324000886.
Lion, K., Cocchi, C., & Draxl, C. (2024). X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory. Physical Review Materials, 8(2), 024603.
Zribi, R., Crispi, S., Giusi, D., Zhukush, M., Ampelli, C., Shen, C., Raza, M. H., Pinna, N., & Neri, G. (2024). Gas Sensing and Electrochemical Properties of CNT/WS2 Core–shell Nanostructures. ACS Applied Nano Materials, 7(5), 4998–5008.
Ligorio, G., Truong, V., Schitter, G., & List‐Kratochvil, E. (2024). Monolithic Electrically‐Driven Retroreflector Based on Gold Nanoparticles Embedded in Ferroelectric Polymer. Physica Status Solidi (a), 221(7), 2300643.
Dileep K., R., Levine, I., Karalis, O., Hempel, H., Easwaramoorthi, R. D. K., Mallick, S., Rao, T. N., Unger, E., & Veerappan, G. (2024). Charge Carrier Dynamics at Carbon/Perovskite Interface: Implications on Carbon‐Based HTM‐Free Solar Cell Stability. Solar RRL, 2300960.
Son, Y., Åvall, G., Ferrero, G. A., Freytag, A. I., Escher, I., Janßen, K. A., Jauregui, M., Saurel, D., Galceran, M., & Adelhelm, P. (2024). Diglyme as a promoter for the electrochemical formation of quaternary graphite intercalation compounds containing two different types of solvents. Batteries & Supercaps, e202300506.
Kolarski, D., Steinbach, P., Bannwarth, C., Klaue, K., & Hecht, S. (2024). Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption. Angewandte Chemie International Edition, e202318015.
Schröder, V. R. F., Fratzscher, N., Zorn Morales, N., Rühl, D. S., Hermerschmidt, F., Unger, E. L., & List-Kratochvil, E. J. W. (2024). Bicolour, large area, inkjet-printed metal halide perovskite light emitting diodes. Materials Horizons, 10.1039.D3MH02025H.
Gomes, D. M., Yao, X., Neves, P., Pinna, N., Russo, P. A., & Valente, A. A. (2024). Bulky olefin epoxidation under mild conditions over Mo-based oxide catalysts. Catalysis Science & Technology, 10.1039.D3CY01299A.
Suchan, K., Jacobsson, T. J., Rehermann, C., Unger, E. L., Kirchartz, T., & Wolff, C. M. (2024). Rationalizing Performance Losses of Wide Bandgap Perovskite Solar Cells Evident in Data from the Perovskite Database. Advanced Energy Materials, 2303420.
Wierzbicka, E., Szaniawska‐Białas, E., Schultz, T., Basilio, A. O., Siemiaszko, D., Ray, K., Koch, N., Pinna, N., & Polański, M. (2024). Long‐Term Stability of Light‐Induced Ti3+ Defects in TiO2 Nanotubes for Amplified Photoelectrochemical Water Splitting. ChemSusChem, e202301614.
Almora, O., Cabrera, C. I., Erten‐Ela, S., Forberich, K., Fukuda, K., Guo, F., Hauch, J., Ho‐Baillie, A. W. Y., Jacobsson, T. J., Janssen, R. A. J., Kirchartz, T., Loi, M. A., Mathew, X., Mitzi, D. B., Nazeeruddin, M. K., Paetzold, U. W., Rand, B. P., Rau, U., Someya, T., … Brabec, C. J. (2024). Device Performance of Emerging Photovoltaic Materials (Version 4). Advanced Energy Materials, 2303173.
Li, Y., Mazzio, K. A., Yaqoob, N., Sun, Y., Freytag, A. I., Wong, D., Schulz, C., Baran, V., Mendez, A. S. J., Schuck, G., Zając, M., Kaghazchi, P., & Adelhelm, P. (2024). Competing Mechanisms Determine Oxygen Redox in Doped Ni–Mn Based Layered Oxides for Na‐Ion Batteries. Advanced Materials, 2309842.
Khenkin, M., Köbler, H., Remec, M., Roy, R., Erdil, U., Li, J., Phung, N., Adwan, G., Paramasivam, G., Emery, Q., Unger, E., Schlatmann, R., Ulbrich, C., & Abate, A. (2024). Light cycling as a key to understanding the outdoor behaviour of perovskite solar cells. Energy & Environmental Science, 17(2), 602–610.
Ludwig, P., Mayer, J., Ahrens, L., Rominger, F., Ligorio, G., Hermerschmidt, F., List‐Kratochvil, E. J. W., Freudenberg, J., & Bunz, U. H. F. (2024). Doubly Bridged Anthracenes: Blue Emitters for OLEDs. Chemistry – A European Journal, 30(4), e202303037.
Wang, R., Schmidbauer, M., Koch, N., Martin, J., & Sadofev, S. (2024). Y‐Stabilized ZrO2 as a Promising Wafer Material for the Epitaxial Growth of Transition Metal Dichalcogenides. Physica Status Solidi (RRL) – Rapid Research Letters, 18(1), 2300141.
Meng, F., Maurer, B., Peschel, F., Selcuk, S., Hybertsen, M., Qu, X., Vorwerk, C., Draxl, C., Vinson, J., & Lu, D. (2024). Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds. Physical Review Materials, 8(1), 013801.
Li, H., Kovalchuk, S., Kumar, A., Liang, D., Frank, B. D., Lin, H., Severin, N., Bolotin, K. I., Kirstein, S., & Rabe, J. P. (2024). Evidence for Charging and Discharging of MoS2 and WS2 on Mica by Intercalating Molecularly Thin Liquid Layers. Physica Status Solidi (a), 221(1), 2300302.
Benson, O., & Koch, N. (2024). Hybrid Inorganic/Organic Systems for Opto‐Electronics (HIOS). Physica Status Solidi (a), 221(1), 2300939.
Zorn Morales, N., Rühl, D. S., List-Kratochvil, E., & Blumstengel, S. (2024). Exciton and Excited‐State Charge Transfer at 2D van der Waals Interfaces. Physica Status Solidi (a), 221(1), 2300186.
Rhim, S.-Y., Heyl, M., Busch, K., & List-Kratochvil, E. J. W. (2024). Binary Addressable Optical Multiplexing Waveguides via Electrochromic Switching. Physica Status Solidi (a), 221(1), 2300177.
Müller, J., Heyl, M., Schultz, T., Elsner, K., Schloz, M., Rühl, S., Seiler, H., Koch, N., List-Kratochvil, E. J. W., & Koch, C. T. (2024). Probing Crystallinity and Grain Structure of 2D Materials and 2D‐Like Van der Waals Heterostructures by Low‐Voltage Electron Diffraction. Physica Status Solidi (a), 221(1), 2300148.
Ma, J., Amsalem, P., Schultz, T., Xu, X., & Koch, N. (2024). Defect‐Dependent Optoelectronic Properties at a Molecular p‐dopant/Monolayer WS2 Interface. Physica Status Solidi (a), 221(1), 2300106.
Tang, B., Pauls, M., Bannwarth, C., & Hecht, S. (2024). Photoswitchable Quadruple Hydrogen-Bonding Motif. Journal of the American Chemical Society, 146(1), 45–50.



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.
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.
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.
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.
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.
Hübner, A., Rigamonti, S., & Draxl, C. (2023). Gauge invariance of the thermal conductivity in the quantum regime. Physical Review B, 108(24), 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Zhang, W., & Pinna, N. (2023). Integration of Noble Metal Nanocrystals in a Hollow Metal–Organic Framework Shell. Chemistry of Materials, 35(17), 6799–6807.
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.
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.
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.
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.
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.
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.
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.
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.
Huang, C. (Dennis), & Hecht, S. (2023). A Blueprint for Transforming Indigos to Photoresponsive Molecular Tools. Chemistry – A European Journal, 29(43), e202300981.
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.
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.
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.
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.
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.
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.


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.
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.
Scroll to Top