Frantisek Karlicky

Research interests

rid Google scholar ResearchGate orcid
Highlights (cover arts):




Grants, projects

Supervised Students



Lecture Notes


Researcher's ID, Google Scholar Research Gate

  1. Karlický F., Otyepková E., Lo R., Pitoňák M., Jurečka P., Pykal M., Hobza P., Otyepka M*: Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite. J. Chem. Theory Comput. 13(3), 1328-1340, 2017. (Am. Chem. Soc.)
  2. Tuček J., Holá K., Bourlinos A.B., Blonski P., Bakandritsos A., Ugolotti J., Dubecký M., Karlický F., Ranc V., Čépe K., Otyepka M., Zbořil R.*: Room temperature organic magnets derived from sp3 functionalized graphene. Nat. Commun. 8, 14525, 2017. (Nat. Pub. Group)
  3. Han H., Riboni F., Karlický F., Kment Š., Goswami A., Sudhagar P., Yoo J., Wang L., Tomanec O., Petr M., Haderka O., Terashima C., Fujishima A., Schmuki A.*, Zbořil R.*: alpha-Fe2O3/TiO2 3D Hierarchical Nanostructures for enhanced Photoelectrochemical Water Splitting. Nanoscale 9, 134-142, 2017. (RSC)
  4. Márquez-Mijares M, Lepetit* B, Lemoine D, Almaksour K, Kirkpatrick MJ, Dessante P, Odic E, Alamarguy D, Bayle F, Teste P, Karlický F: Influence of ambient gas pressure and carbon adsorption on dark current emission from a cathode. J. Vac. Sci. Technol. B 34, 061208, 2016. (Am. Inst. Phys.)
  5. Urbanová V, Karlický F, Matěj A, Šembera F, Janoušek Z, Perman JA, Ranc V, Čépe K, Michl J, Otyepka* M, Zbořil* R: Fluorinated graphenes as advanced biosensors - Effect of fluorine coverage on electron transfer properties and adsorption of biomolecules. (with Cover Art) Nanoscale 8, 12134-12142, 2016. (RSC)
  6. Pykal M, Jurecka P, Karlický F, Otyepka* M: Modelling of graphene functionalization (with Cover Art) Phys. Chem. Chem. Phys. 18, 6351-6372 2016. (RSC)
  7. Karlický F, Otyepková E, Banáš P, Lazar P, Kocman M, Otyepka* M: Interplay between Ethanol Adsorption to High-Energy Sites and Clustering on Graphene and Graphite Alters the Measured Isosteric Adsorption Enthalpies. J. Phys. Chem. C 119(35), 20535-20543, 2015. (Am. Chem. Soc.)
  8. Lazar, P, Otyepková E, Karlický F, Čépe K, Otyepka* M: The surface and structural properties of graphite fluoride. Carbon 94, 804-809, 2015. (Elsevier)
  9. Dubecký M, Otyepková E, Lazar P, Karlický F, Petr M, Čépe K, Banáš P, Zbořil R, Otyepka* M: Reactivity of Fluorographene: A Facile Way Towards Graphene Derivatives. J. Phys. Chem. Lett. 6(8), 1430-1434, 2015. (Am. Chem. Soc.)
  10. Urbanová V, Holá K, Bourlinos AB, Čépe K, Ambrosi A, Loo AH, Pumera M, Karlický F, Otyepka M, Zbořil* R: Thiofluorographene-Hydrophilic Graphene Derivative with Semiconducting and Genosensing Properties. (with Cover Art) Adv. Mater. 27(14), 2305-2310, 2015. (Wiley)
  11. Karlický* F, Otyepka M: Band Gaps and Optical Spectra from Single- and Double-Layer Fluorographene to Graphite Fluoride: Many-Body Effects and Excitonic States. Ann. Phys. 526(9-10), 408-414, 2014 (Wiley)
  12. Filip J, Karlický F, Marušák Z, Černík M, Otyepka* M, Zbořil* R: Anaerobic Reaction of Nanoscale Zerovalent Iron with Water: Mechanism and Kinetics. J. Phys. Chem. C 118(25), 13817-13825, 2014. (Am. Chem. Soc.)
  13. Karlický F, Lepetit* B, Lemoine D: Quantum modeling of hydrogen chemisorption on graphite and graphene. J. Chem. Phys. 140(12), 124702, 2014 (Am. Inst. Phys.)
  14. Karlický* F, Otyepka M: Challenges in the Theoretical Description of Nanoparticle Reactivity: Nano Zero-Valent Iron. (with Cover Art) Int. J. Quantum Chem. 114(15), 987-992, 2014. (Wiley)
  15. Kalus* R, Karlický F, Lepetit B, Paidarová I, Gadéa FX: Photoabsorption spectrum of helium trimer cation - theoretical modeling. J. Chem. Phys. 139(20), 204310, 2013 (Am. Inst. Phys.)
  16. Karlický* F, Otyepka* M: Band Gap and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals. (with Cover Art) J. Chem. Theory Comput., 9 (9),4155-4164 , 2013 (Am. Chem. Soc.)
  17. Karlický F, Lazar P, Dubecký M, Otyepka* M: The Random Phase Approximation in Surface Chemistry: Water Splitting on Iron. J. Chem. Theory Comput. 9(8), 3670-3676, 2013 (Am. Chem. Soc.)
  18. Karlický F, Datta KKR, Otyepka* M, Zbořil* R: Halogenated Graphenes: Rapidly Growing Family of Graphene Derivatives. ACS Nano 7(8), 6434-6464, 2013 (Am. Chem. Soc.)
  19. Lazar P, Karlický F, Jurečka P, Kocman M, Otyepková E, Šafářová K, Otyepka* M: Adsorption of Small Organic Molecules on Graphene. J. Am. Chem. Soc. 135(16), 6372-6377, 2013 (Am. Chem. Soc.)
  20. Karlický F.*, Otyepka M., Schroeder D.*; Ligand effects on single-electron transfer of isolated iron atoms in the gaseous complexes [(OC)mFe(OH2)n]+ (m, n = 0 - 2, m + n = 1, 2), Int. J. Mass Spectrom. 330-332, 95-99, 2012 (Elsevier)
  21. Karlický F.*, Zbořil R., Otyepka M.*; Band gaps and structural properties of graphene halides and their derivates: A hybrid functional study with localized orbital basis sets, J. Chem. Phys. 137(3), 034709, 2012 (Am. Inst. Phys.)
  22. Karlický F.*, Otyepka M.*; The First Step in the Reaction of Zerovalent Iron with Water, J. Chem. Theory Comput. 7(9), 2876-2885, 2011 (Am. Chem. Soc.)
  23. Svrčková P., Vítek A., Karlický F., Paidarová I., Kalus R.*; Theoretical modeling of ionization energies of argon clusters - nuclear delocalization effects. J. Chem. Phys. 134, 224310, 2011 (Am. Inst. Phys.)
  24. Karlický F.*, Lepetit B.*, Kalus R., Gadéa F.X.; Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation. J. Chem. Phys. 134, 084305, 2011 (Am. Inst. Phys.)
  25. Zbořil R., Karlický F., Bourlinos A.B.*, Steriotis T.A., Stubos A.K., Georgakilas V., Šafářová K., Jančík D., Trapalis C., Otyepka M.*: Graphene fluoride: a stable stoichiometric graphene derivative and its chemical conversion to graphene. Small 6, 2885-2891, 2010 (Wiley)
  26. Oleksy K., Karlický F., Kalus R.*; Structures and energetics of helium cluster cations. Equilibrium geometries revisited through the genetic-algorithm approach. J. Chem. Phys. 133, 164314, 2010 (Am. Inst. Phys.)
  27. Karlický F., Lepetit B.*, Kalus R., Paidarová I., Gadea F.X.; Modeling of He-N(+) clusters. II. Calculation of He-3(+) vibrational spectrum. J. Chem. Phys. 128, 124303, 2008 (Am. Inst. Phys.)
  28. Karlický F., Lepetit B.*, Kalus R., Gadea F.X.; Calculation of argon trimer rovibrational spectrum. J. Chem. Phys. 126, 174305, 2007 (Am. Inst. Phys.)
  29. Malijevský Al., Karlický F., Kalus R., Malijevský A.*; Third virial coefficients of argon from first principles, J. Phys. Chem. C 111, 15565, 2007 (Am. Chem. Soc.)
  30. Paidarová I., Polák R., Pauliková B., Karlický F., Oleksy K., Hrivňák D., Gadéa F.X., Kalus R.*; Modeling of He-N(+) clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He-3(+). Chem. Phys. 342, 64, 2007 (Elsevier)

Conference Lectures

  1. Adsorption of Small Organic Molecules on Graphite, Graphene and its Derivatives, Nanocon 2015, 14. 10. - 16. 10. 2015, Brno, Czech Republic
  2. Challenges in the Modeling of Metal Nanoparticle Reactivity, Nanocon 2014, 5. 11. - 7. 11. 2014, Brno, Czech Republic
  3. Modeling of Water Dissociation on Zero-Valent Iron Nanoparticles, Central European Symposium on Theoretical Chemistry (CESTC 2014), 21. 9. - 25. 9. 2014, Nagybörzsöny, Hungary
  4. On the Electronic and Optical Properties of Fluorographene, Chlorographene, and Graphane, Graphene 2014, 6. 5. - 9. 5. 2014, Toulouse, France
  5. Halogenated Graphenes: Properties and Applications, Nanocon 2013, 16. 10. - 18. 10. 2013, Brno, Czech Republic
  6. The Reaction of Water with Iron: Surface Science by Random Phase Approximation, The VIIIth Congress of the International Society of Theoretical Chemical Physics (ISTCP VIII), 25. 8. - 30. 8. 2013, Budapest, Hungary
  7. The Reaction of Nanoscale Zero-valent Iron with Water, Nanocon 2012, 23. 10. - 25. 10. 2012, Brno, Czech Republic
  8. Fluorographene - the thinnest insulator and a route to graphene-based semiconductors, Quantum Systems in Chemistry and Physics (QSCP XVII), 19. 8. - 25. 8. 2012, Turku, Finland
  9. A route to graphene-based semiconductors: Experiment and a hybrid functional study with localized orbital basis sets, Central European Symposium on Theoretical Chemistry (CESTC 2012), 2. 9. - 5. 9. 2012, Mariapfarr, Austria
  10. Band-gap engineering of graphene derivates, Nanocon 2010, 12. - 14. 10. 2010, Olomouc, Czech Republic
  11. Ionized helium clusters: zero-temperature quantum effects, QMC and the CASINO program V, 1. - 8. 8. 2010, Vallico Sotto, Tuscany, Italy
  12. Ionized helium clusters: quantum effects, 8th Central European Symposium on Theoretical Chemistry (CESTC 2009), 25. - 28. 9. 2009, Dobokógö, Hungary

International experience

Scientific training