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Publications

  1. H. Zhao, A. Magni, M. Langer, R. Muñoz-Mármol, Q. Chen, H. Hanayama, S. Osella, G. M. Paternò, A. Narita, Amphiphilic Nanographene with Aggregation-Induced Type-I Photodynamic Properties, Aggregate 7, e70348 (2026), https://doi.org/10.1002/agt2.70348.
  2. D. D. Kruger, M. Cabrero-Antonino, S. Osella, F. Y. Xu, J. G. Yu, A. Primo and H. Garcia, Surface-State-Regulated Product Distribution in Photothermal CO2 Hydrogenation Over MXene-Based S-Scheme Catalyst, Angew. Chem. Int. Ed. e8425918 (2026), https://doi.org/10.1002/anie.8425918.
  3. M. Wlazlo, W. A. Goddard, III and S. Osella, A practical computational protocol for photocatalytic reactions beyond ground-state approximations, Chem. Commun. 62 (16), 4828 (2026), https://doi.org/10.1039/d5cc06211j.
  4. Y. Yin, F. Xu, M. Wlazlo, Y. Chen, G. Wen, G. Velpula, S. Bockmann, M. R. Hansen, S. De Feyter, K. S. Mali, W. Liu, S. Osella, M. Bonn, H. I. Wang, K. Mullen, X. Feng and Y. Mai, Porphyrin-Functionalized Graphene Nanoribbons in Solution Phase, J. Am. Chem. Soc. 148 (5), 5012 (2026), https://doi.org/10.1021/jacs.5c15646.
  5. Q. Chen, M. Guizzardi, F. Mendez, C. Ju, H. R. Keller, G. Cerullo, S. Osella, F. Scotognella, G. M. Paterno, K. Mullen and A. Narita, Diels-Alder reaction affords circumpyrene tetracarboxydiimide with excited state intramolecular charge transfer character, Commun. Chem. 9 (1) (2026), https://doi.org/10.1038/s42004-026-01946-3.
  6. D. D. Kruger, F. J. Recio, M. Wlazło, S. Osella, A. Primo and H. Garcia, Facile molten salt synthesis of bimetallic NiFe-Ti3C2Tx MXene nano-hybrid as an efficient oxygen evolution electrocatalyst, npj 2D Materials and Applications 10 (1) (2026), https://doi.org/10.1038/s41699-026-00660-x.
  7. M. Langer, L. Zdrazil, A. L. Rogach, S. Osella and M. Otyepka, Photoexcited species localize on solvent-accessible fluorophore-rich domains inside carbon dots, Carbon 249, 121228 (2026), https://doi.org/10.1016/j.carbon.2026.121228.
  8. J. J. Qin, J. H. Li, K. B. Chu, H. X. Chen, P. Y. Xuan, X. M. Wu, H. L. Dong, X. Y. Peng, Y. Qian, S. Osella, Y. J. Chen, W. Fan, T. X. Liu and F. L. Lai, Magnetic oxygen-generating robots via a self-healing hydrogel-based modular assembly strategy, Science China-Materials, 1 (2025), https://doi.org/10.1007/s40843-025-3545-7.
  9. P. P. Debes, D. Schatz, A. Villano, Y. Aydogan-Sun, J. P. Martínez, M. Langer, J. Hessling, M. Schönhoff, B. M. Smarsly, S. Osella, J. Wachtveitl, M. R. Antognazza, G. M. Paternò, T. Gatti and H. A. Wegner, Visible-Light Photoswitchable Covalent Tetra-Fluoro-Azobenzene Carbon Nanodot Hybrids for Optostimulation, Chem. Photo. Chem. 9 (12), e202500197 (2025), https://doi.org/10.1002/cptc.202500197.
  10. L. Sun, W. Yan, W. Wang, L. Wang, S. Osella, G. Liang, W. A. Goddard, 3rd, R. Zboril, Y. Zhou, J. Yang and Q. Liu, Improving Mass Transport and Charge Transfer in COF-Based Photocatalysts With Three-Dimensional Ordered Macropores for Benzylamine Oxidation and Hydrogen Evolution, Angew. Chem. Int. Ed. 64 (34), e202511080 (2025), https://doi.org/10.1002/anie.202511080.
  11. J. Hu, S. Osella, J. Albero and H. Garca, Ni and Mo atom pairs as single sites on N-doped graphitic carbon for urea formation by simultaneous CO 2 and NO 3- reduction with pulsed electrocatalysis, EES Catalysis 3 (5), 1075 (2025),
    https://doi.org/10.1039/D5EY00056D.
  12. P. P. Debes, D. Schatz, Y. Aydogan-Sun, J. P. Martnez, M. Langer, J. Hessling, J. Gallego, E. Menna, B. M. Smarsly, M. Schnhoff and et al., Covalent carbon nanodot-azobenzene hybrid photoswitches: the impact of meta/para connectivity and sp 3 spacer on photophysical properties, J. Mat. Chem. C 13 (23), 11879 (2025),
    https://doi.org/10.1039/D5TC00116A.
  13. L. H. Guan, Z. Huang, T. Zhu, Z. Y. Wang, W. H. Huang, C. C. Chang, M. H. Yeh, S. Osella, N. Zhang and T. X. Liu, Phase-Controlled Pd―S Nanosheet Aerogels for Electrocatalytic Upgrading of Waste Plastics, Adv. Funct. Mat. 35 (30), 2500254 (2025), https://doi.org/10.1002/adfm.202500254.
  14. P. Xuan, J. Gong, T. Fu, Y. Zhou, J. Qin, H. Chen, T. Wang, G. Xue, X. Peng, Y. Qian, S. Osella, R. Zboril, J. Hofkens, K. Mullen, F. Lai and T. Liu, Helical Soft Robots with Magnetic and Photocatalytic Components for Water Remediation, Small 21 (11), e2412516 (2025), https://doi.org/10.1002/smll.202412516.
  15. S. Pal, S. Osella, O. I. Malyi and M. Bostrm, Beyond attraction: A novel approach to repulsive Casimir-Lifshitz forces using heterogeneous off-stoichiometry in gapped metals, Phys. Lett. A 531, 130162 (2025), https://doi.org/10.1016/j.physleta.2024.130162.
  16. M. Wlazło, M. Langer, O. Y. Semchuk and S. Osella, Unraveling the competition between charge and energy transfer in 0D/2D nanographene-graphene heterojunctions, Theor. Chem. Acc. 144 (1), 14 (2024), https://doi.org/10.1007/s00214-024-03166-1.
  17. S. Osella and S. Knippenberg, Photophysics in Biomembranes: Computational Insight into the Interaction between Lipid Bilayers and Chromophores, Acc. Chem. Res. 57 (16), 2245 (2024), https://doi.org/10.1021/acs.accounts.4c00153.
  18. S. Knippenberg, K. De, C. Aisenbrey, B. Bechinger and S. Osella, Hydration- and Temperature-Dependent Fluorescence Spectra of Laurdan Conformers in a DPPC Membrane, Cells 13 (15), 1232 (2024), https://doi.org/10.3390/cells13151232.
  19. M. Bostrom, S. Pal, H. R. Gopidi, S. Osella, A. Gholamhosseinian, G. Palasantzas and O. I. Malyi, Casimir-Lifshitz force variations across heterogeneous gapped metal surfaces, Phys. Rev. B 110 (4), 045424 (2024),
  20. M. T. Unruh, G. Z. Wen, M. Bonn, S. Osella, H. I. Wang and U. Scherf, Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton, Macromolecules 57 (13), 6390 (2024), https://doi.org/10.1021/acs.macromol.4c00728.
  21. J. Hu, S. Osella, E. A. dos Reis, A. B. da Silva, C. Ribeiro, L. H. Mascaro, J. Albero and H. Garcia, Mixed Fe-Mo carbide prepared by a sonochemical synthesis as highly efficient nitrate reduction electrocatalyst, Appl. Catal. B-Environ. 357, 124247 (2024), https://doi.org/10.1016/j.apcatb.2024.124247.
  22. J. J. Hu, S. Osella, J. Albero and H. García, Unraveling the Influence of Shell Thickness in Organic Functionalized CuO Nanoparticles on C Products Distribution in Electrocatalytic CO Reduction, Adv. Funct. Mater. 34 (44), 2404566 (2024), https://doi.org/10.1002/adfm.202404566.
  23. M. J. Wang, S. Osella, B. Torre, M. Crisci, F. Schmitz, R. Altieri, E. Di Fabrizio, H. Amenitsch, B. Sartori, Z. M. Liu, T. Gatti and F. Lamberti, Stabilizing Layered BiOBr Photoelectrocatalyst by Van Der Waals Heterojunction Strategy, Chem. Cat. Chem. 16 (16), e202400282 (2024), https://doi.org/10.1002/cctc.202400282.
  24. M. Wang, M. Langer, R. Altieri, M. Crisci, S. Osella and T. Gatti, Two-Dimensional Layered Heterojunctions for Photoelectrocatalysis, ACS Nano 18 (13), 9245 (2024), https://doi.org/10.1021/acsnano.3c12274.
  25. M. Bacalum, M. Radu, S. Osella, S. Knippenberg and M. Ameloot, Generalized polarization and time-resolved fluorescence provide evidence for different populations of Laurdan in lipid vesicles, J. Photochem. Photobio. B 250, 112833 (2024), https://doi.org/10.1016/j.jphotobiol.2023.112833.
  26. K. Liu, W. Zheng, S. Osella, Z. L. Qiu, S. Bockmann, W. Niu, L. Meingast, H. Komber, S. Obermann, R. Gillen, M. Bonn, M. R. Hansen, J. Maultzsch, H. I. Wang, J. Ma and X. Feng, Cove-Edged Chiral Graphene Nanoribbons with Chirality-Dependent Bandgap and Carrier Mobility, J. Am. Chem. Soc. 146 (1), 1026 (2024), https://doi.org/10.1021/jacs.3c11975.
  27. M. Kamierczak, S. Giannini and S. Osella, Supporting information for Photoinduced energy and electron transfer at graphene quantum dot/azobenzene interfaces, J. Mat. Chem. C 12 (1), 143 (2024),
    https://doi.org/10.1039/D3TC03667G.
  28. P. P. Debes, M. Langer, M. Pagel, E. Menna, B. Smarsly, S. Osella, J. Gallego and T. Gatti, Functional Groups Accessibility and the Origin of Photoluminescence in N/O-containing Bottom-up Carbon Nanodots, Chem. Nano. Mat. 10 (2), e202300471 (2024), https://doi.org/10.1002/cnma.202300471.
  29. S. Osella and W. A. Goddard III, CO(2) Reduction to Methane and Ethylene on a Single-Atom Catalyst: A Grand Canonical Quantum Mechanics Study, J. Am. Chem. Soc. 145 (39), 21319 (2023), https://doi.org/10.1021/jacs.3c05650.
  30. L. Guo, Y. Zhang, S. Osella, S. M. Webb, X. J. Yang, W. A. Goddard, III and M. R. Hoffmann, Modular Functionalization of Metal-Organic Frameworks for Nitrogen Recovery from Fresh Urine, Angew. Chem. Int. Ed. 62 (39), e202309258 (2023), https://doi.org/10.1002/anie.202309258.
  31. D. Medina-Lopez, T. Liu, S. Osella, H. Levy-Falk, N. Rolland, C. Elias, G. Huber, P. Ticku, L. Rondin, B. Jousselme and et al., Interplay of structure and photophysics of individualized rod-shaped graphene quantum dots with up to 132 sp $^2$ carbon atoms, Nature Commun. 14 (1), 4728 (2023), https://doi.org/10.1038/s41467-023-40376-w.
  32. S. Obermann, W. H. Zheng, J. Melidonie, S. Böckmann, S. Osella, N. Arisnabarreta, L. A. Guerrero-León, F. Hennersdorf, D. Beljonne, J. J. Weigand, M. Bonn, S. De Feyter, M. R. Hansen, H. I. Wang, J. Ma and X. L. Feng, Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes one-pot K-region oxidation and Scholl cyclization, Chem. Sci. 14 (32), 8607 (2023), https://doi.org/10.1039/d3sc02824k.
  33. S. Osella, G. Granucci, M. Persico and S. Knippenberg, Dual photoisomerization mechanism of azobenzene embedded in a lipid membrane, J. Mater. Chem. B 11 (11), 2518 (2023), https://doi.org/10.1039/d2tb02767d.
  34. R. Ramirez, A. Melillo, S. Osella, A. M. Asiri, H. Garcia and A. Primo, Green, HF-free synthesis of MXene quantum dots and their photocatalytic activity for hydrogen evolution, Small Methods 7 (6), 2300063 (2023),
    https://doi.org/10.1002/smtd.202300063.
  35. M. Wang, S. Osella, R. Brescia, Z. Liu, J. Gallego, M. Cattelan, M. Crisci, S. Agnoli and T. Gatti, 2D MoS 2/BiOBr van der Waals heterojunctions by liquid-phase exfoliation as photoelectrocatalysts for hydrogen evolution, Nanoscale 15 (2), 522 (2023),
    https://doi.org/10.1039/D2NR04970H.
  36. O. Y. Semchuk, T. Gatti and S. Osella, Carbon based hybrid nanomaterials: overview and challenges ahead, Surface 14, 78-94 (2022), https://doi.org/10.15407/Surface.2022.14.078.
  37. M. Jacquet, S. Osella, E. Harputlu, B. Pays, M. Kaczmarek, E. K. Nawrocka, A. A. Rajkiewicz, M. Kalek, P. P. Michaowski, B. Trzaskowski and et al., Diazonium-based covalent molecular wiring of single-layer graphene leads to enhanced unidirectional photocurrent generation through the p-doping effect, Chem. Mater. 34 (8), 3744 (2022), https://doi.org/10.1021/acs.chemmater.2c00088.
  38. W. Biaobrzeska, M. Ficek, B. Dec, S. Osella, B. Trzaskowski, A. Jaramillo-Botero, M. Pierpaoli, M. Rycewicz, Y. Dashkevich, T. ga and et al., Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation, Biosens. Bioelectron. 209, 114222 (2022), https://doi.org/10.1016/j.bios.2022.114222.
  39. L. Yang, J. Ma, W. H. Zheng, S. Osella, J. Droste, H. Komber, K. Liu, S. Böckmann, D. Beljonne, M. R. Hansen, M. Bonn, H. Wang, J. Z. Liu and X. L. Feng, Solution Synthesis and Characterization of a Long and Curved Graphene Nanoribbon with Hybrid Cove-Armchair-Gulf Edge Structures, Adv. Sci. 9 (19), 2200708 (2022), https://doi.org/10.1002/advs.202200708.
  40. G. Xing, W. Zheng, L. Gao, T. Zhang, X. Wu, S. Fu, X. Song, Z. Zhao, S. Osella, M. Martinez-Abadia, H. I. Wang, J. Cai, A. Mateo-Alonso and L. Chen, Nonplanar Rhombus and Kagome 2D Covalent Organic Frameworks from Distorted Aromatics for Electrical Conduction, J. Am. Chem. Soc. 144 (11), 5042 (2022), https://doi.org/10.1021/jacs.1c13534.
  41. A. M. Ross, S. Osella, V. R. Policht, M. Zheng, M. Maggini, F. Marangi, G. Cerullo, T. Gatti and F. Scotognella, Deciphering Photoinduced Charge Transfer Dynamics in a Cross-Linked Graphene-Dye Nanohybrid, J. Phys. Chem. C 126 (7), 3569 (2022), https://doi.org/10.1021/acs.jpcc.1c10570.
  42. M. Kamierczak, B. Trzaskowski and S. Osella, The Interplay of Conjugation and Metal Coordination in Tuning the Electron Transfer Abilities of NTA-Graphene Based Interfaces, Int. J. Mol. Sci. 23 (1), 543 (2022), https://doi.org/10.3390/ijms23010543.
  43. S. Osella, M. Marczak, N. A. Murugan and S. Knippenberg, Exhibiting environment sensitive optical properties through multiscale modelling: A study of photoactivatable probes, J. Photochem. Photobio. A: Chemistry 425, 113672 (2022), https://doi.org/10.1016/j.jphotochem.2021.113672.
  44. M. Crisci, P. Dolcet, J. J. Yang, M. Salerno, P. Bélteky, A. Kukovecz, F. Lamberti, S. Agnoli, S. Osella, S. Gross and T. Gatti, Design Principles and Insights into the Liquid-Phase Exfoliation of Alpha-MoO for the Production of Colloidal 2D Nano-inks in Green Solvents, J. Phys. Chem. C 126 (1), 404 (2022), https://doi.org/10.1021/acs.jpcc.1c09221.
  45. C. Zeng, W. Zheng, H. Xu, S. Osella, W. Ma, H. I. Wang, Z. Qiu, K. I. Otake, W. Ren, H. Cheng, K. Mullen, M. Bonn, C. Gu and Y. Ma, Electrochemical Deposition of a Single-Crystalline Nanorod Polycyclic Aromatic Hydrocarbon Film with Efficient Charge and Exciton Transport, Angew. Chem. Int. Ed. 61 (13), e202115389 (2022), https://doi.org/10.1002/anie.202115389.
  46. X. Wang, J. Ma, W. Zheng, S. Osella, N. Arisnabarreta, J. Droste, G. Serra, O. Ivasenko, A. Lucotti, D. Beljonne, M. Bonn, X. Liu, M. R. Hansen, M. Tommasini, S. De Feyter, J. Liu, H. I. Wang and X. Feng, Cove-Edged Graphene Nanoribbons with Incorporation of Periodic Zigzag-Edge Segments, J. Am. Chem. Soc. 144 (1), 228 (2022), https://doi.org/10.1021/jacs.1c09000.
  47. S. Osella, M. Wang, E. Menna and T. Gatti, Lighting-up nanocarbons through hybridization: Optoelectronic properties and perspectives, Optical Materials: X 12, 100100 (2021),
  48. V. Diez Cabanes, C. Van Dyck, S. Osella, D. Cornil and J. Cornil, Challenges for Incorporating Optical Switchability in Organic-Based Electronic Devices, ACS Appl. Mater. Interfaces 13 (24), 27737 (2021), https://doi.org/10.1021/acsami.1c05489.
  49. S. Osella, M. Paloncyová, G. Aniander, E. Larsson, M. Sahi and S. Knippenberg, Computational modeling reveals the influence of lipid membrane phases on fluorescent probes’ optical properties, Eur. Biophys. J. Biophy. 50 (Suppl 1), 142 (2021),
  50. M. Jacquet, M. Kiliszek, S. Osella, M. Izzo, J. Sar, E. Harputlu, C. G. Unlu, B. Trzaskowski, K. Ocakoglu and J. Kargul, Molecular mechanism of direct electron transfer in the robust cytochrome-functionalised graphene nanosystem, RCS Advances 11 (31), 18860 (2021), https://doi.org/10.1039/d1ra02419a.
  51. M. Jacquet, M. Izzo, S. Osella, S. Kozdra, P. P. Michalowski, D. Golowicz, K. Kazimierczuk, M. T. Gorzkowski, A. Lewera, M. Teodorczyk, B. Trzaskowski, R. Jurczakowski, D. T. Gryko and J. Kargul, Development of a universal conductive platform for anchoring photo- and electroactive proteins using organometallic terpyridine molecular wires, Nanoscale 13 (21), 9773 (2021), https://doi.org/10.1039/d0nr08870f.
  52. M. Izzo, S. Osella, M. Jacquet, M. Kiliszek, E. Harputlu, A. Starkowska, A. Lasica, C. G. Unlu, T. Uspienski, P. Niewiadomski, D. Bartosik, B. Trzaskowski, K. Ocakoglu and J. Kargul, Enhancement of direct electron transfer in graphene bioelectrodes containing novel cytochrome c(553) variants with optimized heme orientation, Bioelectrochemistry 140, 107818 (2021), https://doi.org/10.1016/j.bioelechem.2021.107818.
  53. X. Yao, W. Zheng, S. Osella, Z. Qiu, S. Fu, D. Schollmeyer, B. Muller, D. Beljonne, M. Bonn, H. I. Wang, K. Mullen and A. Narita, Synthesis of Nonplanar Graphene Nanoribbon with Fjord Edges, J. Am. Chem. Soc. 143 (15), 5654 (2021), https://doi.org/10.1021/jacs.1c01882.
  54. S. Osella, Artificial photosynthesis: is computation ready for the challenge ahead?, Nanomaterials 11 (2), 299 (2021), https://doi.org/10.3390/nano11020299.
  55. S. Osella and S. Knippenberg, The influence of lipid membranes on fluorescent probes’ optical properties, BBA – Biomembranes 1863 (2), 183494 (2021), https://doi.org/10.1016/j.bbamem.2020.183494.
  56. W. Niu, J. Ma, P. Soltani, W. Zheng, F. Liu, A. A. Popov, J. J. Weigand, H. Komber, E. Poliani, C. Casiraghi, J. Droste, M. R. Hansen, S. Osella, D. Beljonne, M. Bonn, H. I. Wang, X. Feng, J. Liu and Y. Mai, A Curved Graphene Nanoribbon with Multi-Edge Structure and High Intrinsic Charge Carrier Mobility, J. Am. Chem. Soc. 142 (43), 18293 (2020), https://doi.org/10.1021/jacs.0c07013.
  57. S. Osella, M. Paloncyova, M. Sahi and S. Knippenberg, Influence of Membrane Phase on the Optical Properties of DPH, Molecules 25 (18), 4264 (2020), https://doi.org/10.3390/molecules25184264.
  58. S. Knippenberg and S. Osella, Push/Pull Effect as Driving Force for Different Optical Responses of Azobenzene in a Biological Environment, J. Phys. Chem. C  124 (15), 8310 (2020), https://doi.org/10.1021/acs.jpcc.9b11391.
  59. A. Tries, S. Osella, P. Zhang, F. Xu, M. Klui, Y. Mai, D. Beljonne and H. I. Wang, Gigantic Binding Energy and Ultrafast Dynamics of Excitons in Graphene Nanoribbons, Nano Letters, 20 (5) , 2993-3002 (2020), https://doi.org/10.1021/acs.nanolett.9b04816.
  60. M. Jawiczuk, K. Mlodzikowska-Pienko, S. Osella and B. Trzaskowski, Molecular Modeling of Mechanisms of Decomposition of Ruthenium Metathesis Catalysts by Acrylonitrile, Organometallics 39 (2), 239 (2020), https://doi.org/10.1021/acs.organomet.9b00372.
  61. S. Osella, J. Kargul, M. Izzo and B. Trzaskowski, “Architecture and Function of Biohybrid Solar Cell and Solar-to-Fuel Nanodevices.” In: E. Levchenko, Y. Dappe, G. Ori (eds) Theory and Simulation in Physics for Materials Applications: Cutting-Edge Techniques in Theoretical and Computational Materials Science (2020), pp. 227.
  62. S. Bucciarelli, E. S. Sayedi, S. Osella, B. Trzaskowski, K. J. Vissing, B. Vestergaard and V. Fodera, Disentangling the role of solvent polarity and protein solvation in folding and self-assembly of alpha-lactalbumin, J Colloid Interface Sci 561, 749 (2020), https://doi.org/10.1016/j.jcis.2019.11.051.
  63. S. Osella and S. Knippenberg, Laurdan as a Molecular Rotor in Biological Environments, ACS Applied Bio Materials 2 (12), 5769 (2019), https://doi.org/10.1021/acsabm.9b00789.
  64. S. Osella, N. Smisdom, M. Ameloot and S. Knippenberg, Conformational Changes as Driving Force for Phase Recognition: The Case of Laurdan, Langmuir 35 (35), 11471 (2019), https://doi.org/10.1021/acs.langmuir.9b01840.
  65. S. Pont, S. Osella, A. Smith, A. V. Marsh, Z. Li, D. Beljonne, J. T. Cabral and J. R. Durrant, Evidence for Strong and Weak Phenyl-C-Butyric Acid Methyl Ester Photodimer Populations in Organic Solar Cells, Chem. Mater. 31 (16), 6076 (2019), https://doi.org/10.1021/acs.chemmater.8b05194.
  66. S. Osella, M. Kiliszek, E. Harputlu, C. G. Unlu, K. Ocakoglu, B. Trzaskowski and J. Kargul, Role of Metal Centers in Tuning the Electronic Properties of Graphene-Based Conductive Interfaces, J. Phys. Chem. C 123 (14), 8623 (2019), https://doi.org/10.1021/acs.jpcc.9b00170.
  67. S. Osella, A. Minoia, C. Quarti, J. Cornil, R. Lazzaroni, A. L. Goffin, M. Guillaume and D. Beljonne, Modelling Coupled Ion Motion in Electrolyte Solutions for Lithium-Sulfur Batteries, Batteries & Supercaps 2 (5), 473 (2019), https://doi.org/10.1002/batt.201800150.
  68. S. Osella and S. Knippenberg, Environmental effects on the charge transfer properties of Graphene quantum dot based interfaces, Int.l J. Quantum Chem. 119 (10), e25882 (2019), https://doi.org/10.1002/qua.25882.
  69. A. M. Kowalska, B. Trzaskowski and S. Osella, Assessing the Charge Transfer at the Cytochrome c 553/Graphene Interface: A Multiscale Investigation, J. Phys. Chem. C 122 (51), 29405 (2018),
  70. S. Osella, F. Di Meo, N. A. Murugan, G. Fabre, M. Ameloot, P. Trouillas and S. Knippenberg, Combining (Non)linear Optical and Fluorescence Analysis of DiD To Enhance Lipid Phase Recognition, J. Chem. Theory Comput. 14 (10), 5350 (2018), https://doi.org/10.1021/acs.jctc.8b00553.
  71. S. Knippenberg, G. Fabre, S. Osella, F. Di Meo, M. Paloncyova, M. Ameloot and P. Trouillas, Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases, Langmuir 34 (30), 9072 (2018), https://doi.org/10.1021/acs.langmuir.8b01164.
  72. S. Osella, M. Kiliszek, E. Harputlu, C. G. Unlu, K. Ocakoglu, J. Kargul and B. Trzaskowski, Controlling the charge transfer flow at the graphene/pyrene-nitrilotriacetic acid interface, J. Mat. Chem. C 6 (18), 5046 (2018), https://doi.org/10.1039/c8tc00564h.
  73. P. I. Jolly, A. Marczyk, P. Malecki, O. Ablialimov, D. Trzybinski, K. Wozniak, S. Osella, B. Trzaskowski and K. Grela, Azoliniums, Adducts, NHCs and Azomethine Ylides: Divergence in Wanzlick Equilibrium and Olefin Metathesis Catalyst Formation, Chem. Eur. J. 24 (19), 4785 (2018), https://doi.org/10.1002/chem.201706036.
  74. V. Diez-Cabanes, S. R. Gonzalez, S. Osella, D. Cornil, C. van Dyck and J. Cornil, Energy Level Alignment at Interfaces Between Au (111) and Thiolated Oligophenylenes of Increasing Chain Size: Theoretical Evidence of Pinning Effects, Adv. Theory Simul. 1 (3), 1700020 (2018), https://doi.org/10.1002/adts.201700020.
  75. I. Ivanov, Y. Hu, S. Osella, U. Beser, H. I. Wang, D. Beljonne, A. Narita, K. Mullen, D. Turchinovich and M. Bonn, Role of Edge Engineering in Photoconductivity of Graphene Nanoribbons, J. Am. Chem. Soc. 139 (23), 7982 (2017), https://doi.org/10.1021/jacs.7b03467.
  76. S. Osella and S. Knippenberg, Triggering On/Off States of Photoswitchable Probes in Biological Environments, J. Am. Chem. Soc. 139 (12), 4418 (2017), https://doi.org/10.1021/jacs.6b13024.
  77. S. Osella, N. A. Murugan, N. K. Jena and S. Knippenberg, Investigation into Biological Environments through (Non)linear Optics: A Multiscale Study of Laurdan Derivatives, J. Chem. Theory Comput. 12 (12), 6169 (2016), https://doi.org/10.1021/acs.jctc.6b00906.
  78. J. Liu, S. Osella, J. Ma, R. Berger, D. Beljonne, D. Schollmeyer, X. Feng and K. Mullen, Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons, J. Am. Chem. Soc. 138 (27), 8364 (2016), https://doi.org/10.1021/jacs.6b04426.
  79. Y. Tsutsui, G. Schweicher, B. Chattopadhyay, T. Sakurai, J. B. Arlin, C. Ruzié, A. Aliev, A. Ciesielski, S. Colella, A. R. Kennedy, V. Lemaur, Y. Olivier, R. Hadji, L. Sanguinet, F. Castet, S. Osella, D. Dudenko, D. Beljonne, J. Cornil, P. Samorì, S. Seki and Y. H. Geerts, Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-][1]benzothiophene, Adv. Mater. 28 (33), 7106 (2016), https://doi.org/10.1002/adma.201601285.
  80. S. Osella, A. Minoia and D. Beljonne, Combined Molecular Dynamics and Density Functional Theory Study of Azobenzene-Graphene Interfaces, J. Phys. Chem. C  120 (12), 6651 (2016), https://doi.org/10.1021/acs.jpcc.6b00393.
  81. J. Z. Liu, A. Narita, S. Osella, W. Zhang, D. Schollmeyer, D. Beljonne, X. L. Feng and K. Müllen, Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons, J. Am. Chem. Soc. 138 (8), 2602 (2016), https://doi.org/10.1021/jacs.5b10399.
  82. M. Dbbelin, A. Ciesielski, S. Haar, S. Osella, M. Bruna, A. Minoia, L. Grisanti, T. Mosciatti, F. Richard, E. A. Prasetyanto and et al., Light-enhanced liquid-phase exfoliation and current photoswitching in graphene–azobenzene composites, Nature Commun. 7 (1), 11090 (2016), https://doi.org/10.1038/ncomms11090.
  83. C. Musumeci, S. Osella, L. Ferlauto, D. Niedzialek, L. Grisanti, S. Bonacchi, A. Jouaiti, S. Milita, A. Ciesielski, D. Beljonne, M. W. Hosseini and P. Samori, Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials, Nanoscale 8 (4), 2386 (2016), https://doi.org/10.1039/c5nr07776a.
  84. M. Scardamaglia, C. Struzzi, S. Osella, N. Reckinger, J. F. Colomer, L. Petaccia, R. Snyders, D. Beljonne and C. Bittencourt, Tuning nitrogen species to control the charge carrier concentration in highly doped graphene, 2D Mater. 3 (1), 011001 (2016), https://doi.org/10.1088/2053-1583/3/1/011001.
  85. F. Koutsianopoulos, A. Bonasera, S. Osella, R. Lazzaroni, Z. Syrgiannis and Y. Elemes, Solvent-trap reaction of triazolinediones with simple alkenes: an experimental/theoretical study of thermodynamic and kinetic parameters, Tetrahedron 71 (50), 9474 (2015), https://doi.org/10.1016/j.tet.2015.10.047.
  86. F. E. Golling, S. Osella, M. Quernheim, M. Wagner, D. Beljonne and K. Mullen, pi-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C(2)-symmetric congener, Chem. Sci. 6 (12), 7072 (2015), https://doi.org/10.1039/c5sc02547h.
  87. E. Tenori, A. Colusso, Z. Syrgiannis, A. Bonasera, S. Osella, A. Ostric, R. Lazzaroni, M. Meneghetti and M. Prato, Perylene Derivatives As Useful SERRS Reporters, Including Multiplexing Analysis, ACS Appl. Mater. Interfaces 7 (51), 28042 (2015), https://doi.org/10.1021/acsami.5b03586.
  88. M. G. Schwab, A. Narita, S. Osella, Y. Hu, A. Maghsoumi, A. Mavrinsky, W. Pisula, C. Castiglioni, M. Tommasini, D. Beljonne, X. Feng and K. Mullen, Bottom-Up Synthesis of Necklace-Like Graphene Nanoribbons, Chem. Asian J. 10 (10), 2134 (2015), https://doi.org/10.1002/asia.201500450.
  89. Y. Z. Tan, S. Osella, Y. Liu, B. Yang, D. Beljonne, X. L. Feng and K. Müllen, Sulfur-Annulated Hexa-peri-hexabenzocoronene Decorated with Phenylthio Groups at the Periphery, Angew. Chem. Int. Ed. 54 (10), 2927 (2015), https://doi.org/10.1002/anie.201409932.
  90. L. Sun, F. Zhang, X. Y. Wang, F. Qiu, M. Z. Xue, G. Tregnago, F. Cacialli, S. Osella, D. Beljonne and X. L. Feng, Geometric and Electronic Structures of Boron(III)-Cored Dyes Tailored by Incorporation of Heteroatoms into Ligands, Chem. Asian J. 10 (3), 709 (2015), https://doi.org/10.1002/asia.201403272.
  91. D. Niedzialek, I. Duchemin, T. B. de Queiroz, S. Osella, A. Rao, R. Friend, X. Blase, S. Kümmel and D. Beljonne, First Principles Calculations of Charge Transfer Excitations in Polymer-Fullerene Complexes: Influence of Excess Energy, Adv. Funct. Mater. 25 (13), 1972 (2015), https://doi.org/10.1002/adfm.201402682.
  92. S. Osella, P. Samorì and J. Cornil, Photoswitching Azobenzene Derivatives in Single Molecule Junctions: A Theoretical Insight into the Characteristics, J. Phys. Chem. C. 118 (32), 18721 (2014), https://doi.org/10.1021/jp504582a.
  93. A. M. Masillamani, S. Osella, A. Liscio, O. Fenwick, F. Reinders, M. Mayor, V. Palermo, J. Cornil and P. Samori, Light-induced reversible modification of the work function of a new perfluorinated biphenyl azobenzene chemisorbed on Au (111), Nanoscale 6 (15), 8969 (2014), https://doi.org/10.1039/c4nr01880j
  94. S. Osella, V. Geskin, J. Cornil and D. Beljonne, Coherent Electron Transmission across Nanographenes Tethered to Gold Electrodes: Influence of Linker Topology, Ribbon Width, and Length, J. Phys. Chem. C 118 (14), 7643 (2014), https://doi.org/10.1021/jp411572x.
  95. S. Osella, D. Cornil and J. Cornil, Work function modification of the (111) gold surface covered by long alkanethiol-based self-assembled monolayers, Phys. Chem. Chem. Phys. 16 (7), 2866 (2014), https://doi.org/10.1039/c3cp54217c
  96. Y. Z. Tan, B. Yang, K. Parvez, A. Narita, S. Osella, D. Beljonne, X. Feng and K. Mullen, Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons, Nat. Commun. 4 (1), 2646 (2013), https://doi.org/10.1038/ncomms3646.
  97. S. Kervyn, O. Fenwick, F. Di Stasio, Y. S. Shin, J. Wouters, G. Accorsi, S. Osella, D. Beljonne, F. Cacialli and D. Bonifazi, Polymorphism, fluorescence, and optoelectronic properties of a borazine derivative, Chem. Eur. J. 19 (24), 7771 (2013), https://doi.org/10.1002/chem.201204598.
  98. N. Crivillers, S. Osella, C. Van Dyck, G. M. Lazzerini, D. Cornil, A. Liscio, F. Di Stasio, S. Mian, O. Fenwick, F. Reinders, M. Neuburger, E. Treossi, M. Mayor, V. Palermo, F. Cacialli, J. Cornil and P. Samori, Large work function shift of gold induced by a novel perfluorinated azobenzene-based self-assembled monolayer, Adv. Mater. 25 (3), 432 (2013), https://doi.org/10.1002/adma.201201737.
  99. S. Osella, A. Narita, M. G. Schwab, Y. Hernandez, X. L. Feng, K. Müllen and D. Beljonne, Graphene Nanoribbons as Low Band Gap Donor Materials for Organic Photovoltaics: Quantum Chemical Aided Design, Acs Nano 6 (6), 5539 (2012), https://doi.org/10.1021/nn301478c.
  100. G. Ghigo, S. Osella, A. Maranzana and G. Tonachini, The Mechanism of the Acid-Catalyzed Benzidine Rearrangement of Hydrazobenzene: A Theoretical Study, Eur. J. Org. Chem. 2011 (12), 2326 (2011), https://doi.org/10.1002/ejoc.201001636.
  101. N. Crivillers, A. Liscio, F. Di Stasio, C. Van Dyck, S. Osella, D. Cornil, S. Mian, G. M. Lazzerini, O. Fenwick, E. Orgiu, F. Reinders, S. Braun, M. Fahlman, M. Mayor, J. Cornil, V. Palermo, F. Cacialli and P. Samori, Photoinduced work function changes by isomerization of a densely packed azobenzene-based SAM on Au: a joint experimental and theoretical study, Phys. Chem. Chem. Phys. 13 (32), 14302 (2011), https://doi.org/10.1039/c1cp20851a.