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Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Theory of excitations in low-dimensional systems

Publications

Publications

List of publications of the EOS Group

 

31. M. GuerriniC. Cocchi, A. Calzolari, D. Varsano, and S. Corni
     Interplay between Intra- and Inter-Molecular Charge Transfer in the Optical Excitations of J-aggregates
     J. Phys. Chem. C, in press (2019).

30. M. Miletic, K. Palczynski, M. Jacobs, A. M. Valencia, C. Cocchi, and J. Dzubiella,
     Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface
     J. Phys. Chem. C, in press (2019), arXiv:1902.00276.

29. P. Beyer, D. Pham, C. Peter, N. Koch, E. Meister, W. Brütting, L. Grubert, S. Hecht, D. Nabok, C. Cocchi, C. Draxl, and A. Opitz
     State of matter dependent charge transfer interactions between planar molecules for doping applications
     Chem. Mater., 31, 1237 (2019).

28. O. Turkina, D. Nabok, A Gulans, C. Cocchi, and C. Draxl
     Electronic and optical excitations in the pyridine/pyridine/ZnO(10-10) hybrid interface
     Adv. Theory Simul. 2, 1970004 (2019). 

27. C. Cocchi, T. Breuer, G. Witte, and C. Draxl,
     Polarized absorbance and Davydov splitting in bulk and thin-film pentacene polymorphs
     Phys. Chem. Chem. Phys.  20, 29724 (2018).

26. C. Cocchi, S. Mistry, M. Schmeißer, J. Kühn, and T, Kamps
     First-principles many-body study of the electronic and optical properties of CsK2Sb, a semiconducting material for ultra-bright electron sources
     J. Phys.: Condens. Matter 31, 014002 (2018). Invited paper for the special issue “Emerging leaders”.

25. L. Pithan, D. Nabok, C. Cocchi, P. Beyer, G. Duva, J. Simbrunner, J. Rawle, C. Nicklin, P. Schäfer, C. Draxl, F. Schreiber, and S. Kowarik
     Molecular structure of the sub-strate-induced thin-film phase of tetracene
     J. Chem. Phys. 149, 144701 (2018).

24. A. Hertrich, C. Cocchi, P. Pavone, and C. Draxl,
     Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra
     arXiv:1806.06026 (2018).

23. W. Aggoune, C. Cocchi, D. Nabok, K. Rezouali, M. A. Belkhir, and C. Draxl,
     Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride
     Phys. Rev. B 97, 241114 (R) (2018).

22. C. Vorwerk, C. Hartmann, C. Cocchi, G. Sadoughi, S. N. Habisreutinger, R. Felix, R. G. Wilks, H. J. Snaith, M. Bär, and C. Draxl,
     Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic−Inorganic Lead Halide  Perovskites
     J. Phys. Chem. Lett. 9, 1852-1858 (2018).

21. C. Draxl and C. Cocchi,
      Exciting core-level spectroscopy
      Int. Tab. Cryst., in print (2017); arXiv:1709.02288.

20. C. Cocchi and C. Draxl,
      Understanding effects of packing density and chemical terminations 
      on the optical properties of azobenzene-functionalized self-assembled monolayers

      J. Phys.: Condens. Matter 29, 394005 (2017).

19. W. Aggoune, C. Cocchi, D. Nabok, K. Rezouali, M. A. Belkhir, and C. Draxl,
     Enhanced light-matter interaction in graphene/h-BN van der Waals heterostructures
     J. Phys. Chem. Lett. 8, 1464-1471 (2017).

18. C. Vorwerk, C. Cocchi, and C. Draxl,
       Addressing electron-hole correlation of solids: An all-electron many-body approach from first principles
       Phys. Rev. B 95, 155121 (2017).

17. Q. Fu, C. Cocchi, D. Nabok, A. Gulans, and C.Draxl,
     Graphene-modulated photo-absorption in adsorbed azobenzene monolayers
     Phys. Chem. Chem. Phys. 19, 6196 (2017).

16. C. Cocchi, T. Moldt, C. Gahl, M. Weinelt, and C. Draxl,
      Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions
      J. Chem. Phys. 145, 234701 (2016).

15. C. Cocchi, H. Zschiesche, D. Nabok, A. Mogilatenko, M. Albrecht, Z. Galazka, H. Kirmse, C. Draxl, and C. Koch,
      Atomic signatures of local environment from core-level spectroscopy in β-Ga2O3
      Phys. Rev. B 94, 075147 (2016).

14. B. Klett, C. Cocchi, L. Pithan, S. Kowarik, and C. Draxl, 
      Polymorphism in alpha-sexithiophene crystals: Relative stability and transition path
      Phys. Chem. Chem. Phys. 18, 14603 (2016).

13. C. Vorwerk, C. Cocchi, and C. Draxl, 
      LayerOptics: Microscopic modelling of optical coefficients in layered materials 
      Comp. Phys. Comm. 201, 119 (2016).

12. C. Cocchi and C. Draxl, 
      Optical spectra from molecules to crystals: Insight from many-body perturbation theory
      Phys. Rev. B 92, 205126 (2015).

11. C. Cocchi and C. Draxl, 
      Bound excitons and many-body effects in X-ray absorption spectra of azobenzene-functionalized self-assembled monolayers 
      Phys. Rev. B 92, 205105 (2015). 

10. L. Pithan, C. Cocchi, H. Zschiesche, C. Weber, A. Zykov, S. Bommel, S. J. Leake, P. Schäfer, C. Draxl, and S. Kowarik, 
      Light controls polymorphism in thin films of sexithiophene 
      Cryst. Growth Des. 15, 1319 - 1324 (2015).

9. M. De Corato, C. Cocchi, D. Prezzi, M. J. Caldas, E. Molinari, and A. Ruini, 
    Optical Properties of Bilayer Graphene Nanoflakes
    J. Phys. Chem. C 118, 23219 (2014).

8. C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas, and E. Molinari, 
    Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons
    J. Phys. Chem. A 118, 6507 - 6513 (2014).

7. C. Cocchi, D. Prezzi, A. Ruini, E. Molinari, and C. A. Rozzi, 
    Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine
    Phys. Rev. Lett. 112, 198303 (2014).

6. C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas, A. Fasolino, and E. Molinari, 
    Concavity Effects on the Optical Properties of Aromatic Hydrocarbons
    J. Phys. Chem. C 117, 12909 - 12915 (2013).

5. C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas, and E. Molinari, 
    Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions 
    J. Phys. Chem. C 116, 17328 - 17335 (2012).

4. C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas, and E. Molinari, 
    Optical Excitations and Field Enhancement in Short Graphene Nanoribbons 
    J. Phys. Chem. Lett. 3, 924 - 929 (2012).

3. C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas, and E. Molinari, 
    Optical Properties and Charge Transfer Excitations in Edge Functionalized All-Graphene Nanojunctions 
    J. Phys. Chem. Lett. 2, 1315 - 1319 (2011).

2. C. Cocchi, A. Ruini, D. Prezzi, M. J. Caldas, and E. Molinari, 
    Designing All-Graphene Nanojunctions by Covalent Functionalization 
    J. Phys. Chem. C 115, 2969 -- 2973 (2011).

1. C. Cocchi, D. Prezzi, A. Calzolari, and E. Molinari, 
    Spin-Transport Selectivity upon Co Adsorption on Antiferromagnetic Graphene Nanoribbons 
    J. Chem. Phys. 133, 124703 (2010).