1. N. Kocić, X. Liu, S. Chen, S. Decurtins, O. Krejčí, P. Jelínek, J. Repp, S.-X. Liu
    Control of Reactivity and Regioselectivity for On-Surface Dehydrogenative Aryl–Aryl Bond Formation
    Journal of the American Chemical Society 138 (2016) 5585-5593.
  2. W. Kamiski, R. Topolnicki, P.Hapala, P. Jelínek, R. Kucharczyk
    Tuning the conductance of benzene-based single-molecule junctions
    Organic Electronics 34 (2016) 254-261.
  3. Pablo Merino, M. Švec, Jose Ignacio Martinez, P. Mutombo, César González, José Ángel Martin-Gago, Pedro L de Andrés Rodriguez, P. Jelínek
    Ortho and Para Hydrogen Dimers on G/SiC (0001): combined STM and DFT study
    Langmuir 31 (1) (2015) 233-239.
  4. V. Zobač, J.P. Lewis, E. Abad, J.I. Mendieta-Moreno, P. Hapala, P. Jelínek, J. Ortega
    Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
    Journal of Physics: Condensed Matter 27 (2015) 175002(1)-175002(11).
  5. A.J. Neukirch, J. Park, V. Zobac, H. Wang, P. Jelínek, O. V. Prezhdo, H.-C. Zhou, J. P. Lewis
    Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers
    Journal of Physics: Condensed Matter 27 (2015) 134208(1)-134208(11).
  6. Sh. Yamazaki, K. Maeda, Y. Sugimoto, M. Abe, V. Zobač, P. Pou, L. Rodrigo, P. Mutombo, R. Perez, P. Jelínek, S. Morita
    Interplay between Switching Driven by the Tunneling Current and Atomic Force of a Bistable Four-Atom Si Quantum Dot
    Nano Letters 15 (2015) 4356-4363.
  7. K. Iwata, Sh. Yamazaki, P. Mutombo, P. Hapala, M. Ondráček, P. Jelínek, Y. Sugimoto
    Chemical structure imaging of a single molecule by atomic force microscopy at room temperature
    Nature Communications 6 (2015) 7766(1)-7766(6).
  8. F. Albrecht, J. Repp, M. Fleischmann, M. Scheer, M. Ondráček, P. Jelínek
    Probing Charges on the Atomic Scale by Means of Atomic Force Microscopy
    Physical Review Letters 115 (2015) 076101-1-076101-5.
  9. J. Berger, E. J. Spadafora, P. Mutombo, P. Jelínek, M. Švec
    Force-Driven Single-Atom Manipulation on a Low-Reactive Si Surface for Tip Sharpening
    Small 11 (2015) 3686-3693.
  10. M. Corso, M. Ondráček, Ch. Lotze, P. Hapala, K. J. Franke, P. Jelínek, J. I. Pascual
    Charge Redistribution and Transport in Molecular Contacts
    Physical Review Letters 115 (2015) 136101(1)-136101(5).
  11. M. Telychko, P. Mutombo, P. Merino, P. Hapala, M. Ondráček, F.C. Bocquet, J. Sforzini, O. Stetsovych, M. Vondráček, P. Jelínek, M. Švec
    Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene
    ACS Nano 9 (2015) 9180-9187.
  12. P. Hapala, M. Ondráček, O. Stetsovych, M. Švec, P. Jelínek
    Simultaneous nc-AFM/STM Measurements with Atomic Resolution
    Noncontact Atomic Force Microscopy vol. 3
  13. Mykola Telychko, J. Berger, Zsolt Majzik, P. Jelínek, M. Švec
    Graphene on SiC (0001) inspected by dynamic atomic force microscopy at room temperature
    Beilstein Journal of Nanotechnology 6 (2015) 901-906.
  14. P. Jelínek
    Theoretical challenges of simultaneous nc-AFM/STM experiments
    Imaging and Manipulation of Adsorbates Using Dynamic Force Microscopy page 81-92 year 2015 ISBN 978-3-319-17400-6 Part of the series Advances in Atom and Single Molecule Machines
  15. J. Onoda, M. Ondráček, A, Yurtsever, P. Jelínek, Y. Sugimoto
    Initial and secondary oxidation products on the Si(111)-(7x7) surface identified by atomic force microscopy and first principles calculations
    Applied Physics Letters 104 (2014) 133107(1)-133107(4).
  16. K. Kůsová, P. Hapala, J. Valenta, P. Jelínek, O. Cibulka, L. Ondič, I. Pelant
    Direct Bandgap Silicon: Tensile-Strained Silicon Nanocrystals
    Advanced Materials Interfaces 1 (2014) 1300042(1)-1300042(9).
  17. M. Švec, P. Hapala, M. Ondráček, P. Merino, M. Blanco-Rey, P. Mutombo, M. Vondráček, Y. Polyak, J. A. Martín Gago, P. Jelínek
    Silicene versus two-dimensional ordered silicide: Atomic and electronic structure of Si-(√19×√19)R23.4◦/Pt(111)
    Physical Review B 89 (2014) 201412(1)-201412(5).
  18. M. Telychko, P. Mutombo, M. Ondráček, P. Hapala, F.C. Bocquet, J. Kolorenč, M. Vondráček, P. Jelínek, M. Švec
    Achieving High-Quality Single-Atom Nitrogen Doping of Graphene/SiC(0001) by Ion Implantation and Subsequent Thermal Stabilization
    ACS Nano 8 (2014) 7318-7324.
  19. E. J. Spadafora, J. Berger, P. Mutombo, M. Telychko, M. Švec, Z. Majzik, A. B. McLean, P. Jelínek
    Identification of Surface Defects and Subsurface Dopants in a Delta-Doped System Using Simultaneous nc-AFM/STM and DFT
    Journal of Physical Chemistry C 118 (2014) 15744-15753.
  20. P. Hapala, G. Kichin, Ch. Wagner, F. S. Tautz, R. Temirov, P. Jelínek
    Mechanism of high-resolution STM/AFM imaging with functionalized tips
    Physical Review B 90 (2014) 085421(1)-085421(9).
  21. P. Merino, M. Švec, J.I. Martinez, P. Jelínek, P. Lacovig, M. Dalmiglio, S. Lizzit, P. Soukiassian, J. Cernicharo, J.A. Martin-Gago
    Graphene etching on SiC grains as a path to interstellar polycyclic aromatic hydrocarbons formation
    Nature Communications 5 (2014) 3054(1)-3054(9).
  22. P. Hapala, R. Temirov, F. S. Tautz, P. Jelínek
    Origin of High-Resolution IETS-STM Images of Organic Molecules with Functionalized Tips
    Physical Review Letters 113 (2014) 226101(1)-226101(5).
  23. Z. Majzik, B. Drevniok, W. Kamiński, M. Ondráček, A. B. McLean, P. Jelínek
    Room Temperature Discrimination of Adsorbed Molecules and Attachment Sites on the Si(111)–7 × 7 Surface Using a qPlus Sensor
    ACS Nano 7 (2013) 2686-2692.
  24. J. Berger, M. Švec, M. Müller, M. Ledinský, A. Fejfar, P. Jelínek, Z. Majzik
    Characterization of the mechanical properties of qPlus sensors
    Beilstein Journal of Nanotechnology 4 (2013) 1-9.
  25. A. Yurtsever, Y. Sugimoto, H. Tanaka, M. Abe, S. Morita, M. Ondráček, P. Pou, R. Pérez, P. Jelínek
    Force mapping on a partially H-covered Si(111)-(7x7) surface: Influence of tip and surface reactivity
    Physical Review B 87 (2013) 155403(1)-155403(10).
  26. E. Abad, J. P Lewis, V. Zobač, P. Hapala, P. Jelínek, J. Ortega
    Calculation of non-adiabatic coupling vectors in a local-orbital basis set
    Journal of Chemical Physics 138 (2013) 154106(1)-154106(8).
  27. P. Hapala, K. Kůsová, I. Pelant, P. Jelínek
    Theoretical analysis of electronic band structure of 2- to 3-nm Si nanocrystals
    Physical Review B 87 (2013) 195420(1)-195420(13).
  28. A. J. Weymouth, D. Meuer, P. Mutombo, T. Wutscher, M. Ondráček, P. Jelínek, F. J. Giessibl
    Atomic Structure Affects the Directional Dependence of Friction
    Physical Review Letters 111 (2013) 126103(1)-126103(4).
  29. Y. Sugimoto, M. Ondráček, M. Abe, P. Pou, S. Morita, R. Pérez, F. Flores, P. Jelínek
    Quantum Degeneracy in Atomic Point Contacts Revealed by Chemical Force and Conductance
    Physical Review Letters 111 (2013) 106803(1)-106803(5).
  30. Y. Sugimoto, A. Yurtsever, M. Abe, S. Morita, M. Ondráček, P. Pou, R. Pérez, P. Jelínek
    Role of Tip Chemical Reactivity on Atom Manipulation Process in Dynamic Force Microscopy
    ACS Nano 7 (2013) 7370-7376.
  31. P. Sobotík, M. Setvín, P. Zimmermann, P. Kocán, I. Ošt’ádal, P. Mutombo, M. Ondráček, P. Jelínek
    Emergence of state at Fermi level due to the formation of In-Sn heterodimers on Si(100)-2×1
    Physical Review B 88 (2013) 205406(1)-205406(7).
  32. Z. Majzik, M.R. Tchalala, M. Švec, P. Hapala, H. Enriquez, A. Kara, A. J. Mayne, G. Dujardin, P. Jelínek, H. Oughaddou
    Combined AFM and STM measurements of a silicene sheet grown on the Ag(111) surface
    Journal of Physics: Condensed Matter 25 (2013) 225301(1)- 225301(6).
  33. M. Ondráček, C. González, P. Jelínek
    Reversal of atomic contrast in scanning probe microscopy on (111) metal surfaces
    Journal of Physics: Condensed Matter 24 (2012) 084003(1)-084003(7).
  34. P. Jelínek, M. Ondráček, F. Flores
    Relation between the chemical force and the tunnelling current in atomic point contacts: a simple model
    Journal of Physics: Condensed Matter 24 (2012) 084001(1)-084001(10).
  35. Z. Majzik, M. Setvín, A. Bettac, A. Feltz, V. Cháb, P. Jelínek
    Simultaneous current, force and dissipation measurements on the Si(111) 7×7 surface with an optimized qPlus AFM/STM technique
    Beilstein Journal of Nanotechnology 3 (2012) 249-259.
  36. M. Setvín, P. Mutombo, M. Ondráček, Z. Majzik, M. Švec, V. Cháb, I. Ošťádal, P. Sobotík, P. Jelínek
    Chemical Identification of Single Atoms in Heterogeneous III-IV Chains on Si(100) Surface by Means of nc-AFM and DFT Calculations
    ACS Nano 6 (2012) 6969-6976.
  37. M. Ondráček, P. Mutombo, Z. Chvoj, A. G. Mark, Z. Chromcová, A.B. McLean, P. Jelínek
    Stability, interaction and influence of domain boundaries in Ge/Si(111)-5 × 5
    Journal of Physics: Condensed Matter 24 (2012) 445003-445016.
  38. A. Yurtsever, D. Fernandez-Torre, C. Gonzalez, P. Jelínek, P. Pou, Y. Sugimoto, M. Abe, R. Perez, S. Morita
    Understanding image contrast formation in TiO2 with force spectroscopy
    Physical Review B 85 (2012) 125416(1)-125416(9).
  39. M. Švec, P. Merino, Y. J. Dappe, C. González, E. Abad, P. Jelínek, J. A. Martín-Gago
    van der Waals interactions mediating the cohesion of fullerenes on graphene
    Physical Review B 86 (2012) 121407(R)-121412(R).
  40. A. Campbellová, M. Ondráček, P. Pou, R. Pérez, P. Klapetek, P. Jelínek
    'Sub-atomic' resolution of non-contact atomic force microscope images induced by a heterogeneous tip structure: a density functional theory study
    Nanotechnology 22 (2011) 295710(1)-295710(7).
  41. Z. Majzik, W. Kamiński, A.J. Weymouth, M. Vondráček, V. Zobač, M. Švec, A. Berkó, A.B. McLean, K.C. Prince, P. Jelínek, V. Cháb
    An Investigation of Ethylene Attachment to Si(111)–7 x 7 in the Restatom–Adatom Bridging Geometry: Electronic and Vibrational Properties
    Journal of Physical Chemistry C 115 (2011) 21791-21799.
  42. M. Ondráček, P. Pou, V. Rozsíval, C. González, P. Jelínek, R. Pérez
    Forces and Currents in Carbon Nanostructures: Are We Imaging Atoms?
    Physical Review Letters 106 (2011) 176101(1)-176101(4).
  43. M. Ternes, C. González, Ch. P. Lutz, P. Hapala, F.J. Giessibel, P. Jelínek, A.J. Heinrich
    Interplay of Conductance, Force, and Structural Change in Metallic Point Contacts.
    Physical Review Letters 106 (2011) 016802(1)-016802(4).
  44. J.P. Lewis, P. Jelínek, J. Ortega, A.A. Demkov, D.G. Trabada, B. Haycock, H. Wang, G. Adams, J.K. Tomfohr, E. Abad, H. Wang, D.A. Drabold
    Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism
    physica status solidi (b) 248 (2011) 1989-2007.
  45. W. Kaminski, W. Rozsíval, P. Jelínek
    Theoretical study of electronic and transport properties of PPy-Pt(111) and PPy-C(111):H interfaces
    Journal of Physics: Condensed Matter 22 (2010) 045003(1)-045003(10).
  46. S. Lindsay, J. He, O. Sankey, P. Hapala, P. Jelínek, P. Zhang, S.Chang, S. Huang
    Recognition tunneling
    Nanotechnology 21 (2010) 262001(1)-262001(12).
  47. C.Sánchez-Sánchez, C.González, P. Jelínek, J.Méndez, P.L.deAndres, J.A. Martín-Gago, M.F. López
    Understanding atomic-resolved STM images on TiO.2.(110)-(1x1) surface by DFT calculations.
    Nanotechnology 21 (2010) 405702(1)-405702(10).
  48. H. Vázquez, P. Jelínek, M. Brandbyge, A.P. Jauho, F. Flores
    Corrections to the density-functional theory electronic spectrum: copper phthalocyanine.
    Applied Physics A-Materials Science & Processing 95 (2009) 257-263.
  49. M. Švec, V. Dudr, M. Vondráček, P. Jelínek, P. Mutombo, V. Cháb, F. Šutara, V. Matolín, K. Prince
    Intra-atomic charge re-organization at the Pb Si interface: Bonding mechanism at low cover.
    Surface Science 603 (2009) 2861-2869.
  50. P. Pou, S.A. Ghasemi, P. Jelínek, T. Lenosky, S. Goedecker, R. Perez
    Structure and stability of semiconductor tip apexes for atomic force microscopy.
    Nanotechnology 20 (2009) 264015-1-264015-10.