DOCTYPE html PUBLIC "-//w3c//dtd html 4.0 transitional//en"> L.Kantorovich: List of Publications nextupprevious
Next:About this document ...

List of publications
Some papers are available on-line from this page either as a gunzip tar file (in UNIX/Linux you will have to untar and then gunzip
them which will give you all the original files you need to process/print it in a separate directory), or as a gunzip Poscript file, or
as a gunzip PDFfile. The latter files (after you gunzip them) should be read by the Acrobat reader which is available free.

(A)Books and Review Articles

1. Kantorovich L.N. An embedded-molecular-cluster method in the studies of defects electronic structure in wide-gap insulators. - Zh.Fiz.Khim., v.61, 1987, p.3137-3150 (in Russian).

2. Zhidomirov G.M., Shluger A.L., Kantorovich L.N. Modern models in the chemisorption theory. - In: Modern problems in quantum chemistry, Leningrad, Nauka Publ., 1987, p.224-281 (in Russian).

3. Zakis Ju., Kantorovich L.N., Kotomin E.A., Kuzovkov V.N., Tale I., Shluger A.L. Models of processes in wide gap solids with defects. - Riga, Zinatne Publ., 1991, 320 p. (in Russian).

4. M. J. Gillan, L. N. Kantorovich and P. J. D. Lindan, Modelling of oxide surfaces. - Current Opinion In Solid State and Materials Science, 1996, Vol.1, No.6, pp.820-826

5. M. J. Gillan, P. J. D. Lindan, L. N. Kantorovich and S. P. Bates, Molecular processes on oxide surfaces studied by first- principles calculations. - Mineralogical Magazine, 1998, v. 62, No.5, pp. 669-685.

6. L. N. Kantorovich, A. L. Shluger and  M. J. Gillan, What can we learn about perfect and defective MgO (001) surface using density functional theory? - In: Defects and Surface-Induced Effects in Advanced Perovskites, G. Borstel et al. (Eds.),  Kluwer Academic Publishers,  Netherlands, 2000, pp. 49-60. (this is a  talk presented on the "NATO Advanced Research Workshop", Jurmala, 1999).

7. L. Kantorovich, M.  Gauthier and M.  Tsukada, Theory of energy dissipation into surface vibrations, - Chapter 19 in Noncontact atomic force microscopy,  Springer series "Nanoscience and Technology", Eds. S. Morita, R. Wiesendanger and E. Meyer, 2002.

8. L. Kantorovich,  Quantum theory of the solid state: an introduction, - in the series "Fundamental Theories of Physics", A. van der Merwe (Ed.) (Kluwer Academic Publishers, Dordrecht, 2004).

9. N. Martsinovich, C. Hobbs, L. Kantorovich and P. Beton, Theory of Adsorption and Manipulation of C60 on the Si(001) Surface. - Chapter in a book: Fundamentals of friction and wear on the nanoscale, Eds. E. Gnecco and E. Meyer, Springer, 2007, p. 601-618.

10. T. Trevethan and L. Kantorovich, Mechanisms of atomic scale dissipation at close approach in dynamic atomic force microscopy. - Chapter in a book: Fundamentals of friction and wear on the nanoscale, Eds. E. Gnecco and E. Meyer, Springer, 2007, p. 373-391.

11. T. Trevethan, N. Martsinovich, L. Kantorovich, and A. L. Shluger. Multi-scale modelling of NC-AFM imaging and and controlling atomic diffusion on insulating surfaces. - Chapter in a book: "Non-Contact Atomic Force Microscopy", Vol. 2, in the series "Nanoscience and Technology", Eds.: S. Morita, F. Giessible and R. Wiesendanger. Springer, 2009.

(B) Papers

1981

1. Egorova T.V., Kantorovich L.N., Livshitz A.I., Shluger A.L. Adsorption of water molecules on alkali halide crystals surfaces.- Zh.Fiz.Khim.,v.55, 1981, p.1350-1351 (in Russian).

1982

2. Kantorovich L.N., Shluger A.L. Adsorption of a water molecule on alkali halide crystals surfaces. - Khim.Fiz., v.1, 1982, p.1341-1348 (in Russian).

3. Shluger A.L., Kotomin E.A. and Kantorovich L.N. Calculations of energies of radiative tunneling transitions between defects in alkali halides. - Solid State Comm., v.42, 1982, p.749-752.

1983

4. Kantorovich L.N. Multipole theory of the polarization of solids by point defect. I.Dipole approximation. - Phys.stat.sol.(b), v.120, 1983, p.77-86.

5. Kantorovich L.N., Shluger A.L. Defect induced crystal polarization effects in potential surfaces calculations of thermoactivated processes.- In: Thermoactivated spectroscopy of defects in ionic crystals, Riga, Latv.State Univ. Press, 1983, p.23-38 (in Russian).

1984

6. Kantorovich L.N. Multipole theory of the polarization of solids by point defect. II.The point charge approximation. - Phys.stat.sol.(b) v.123, 1984, p.325-334.

7. Gotlib V.I., Kantorovich L.N., Grebenshicov V.L., Bichev V.R. and Nemiro E.A. The study of thermoluminescence using the contact method of sample heating. - J.Phys.D:Appl.Phys., v.17, 1984, p.2097-2114.

8. Kantorovich L.N., Shluger A.L., Tiliks Y.E. Interaction of adsorbed water molecules with an alkali halide surface.- Khim.Fiz., v.3, 1984, p.894-899 (in Russian).

1985

9. Shluger A.L., Kantorovich L.N., Kotomin E.A., Dzelme Y.R. Influence of an alkali halide crystal surface on defects electronic structure and their interaction with each other and with water.- Zh.Fiz.Khim., v.59, 1985, p.1224-1227 (in Russian).

10. Kantorovich L.N., Kotomin E.A., Shluger A.L. Quantum-chemical simulation for determination of electronic and spatial structure of defects in wide-gap solids. - In: Electronic processes and defects in ionic crystals, 1985, Riga, Latv. State Univ.Press, p.146- 166 (in Russian).

1986

11. Kantorovich L.N. Multipole theory of the polarization of solids by point defect. III.Transition energy calculations, the approximation of non - point charges. - Phys.stat.sol.(b), v.137, 1986, p.229-240.

12. Shluger A.L., Kotomin E.A. and Kantorovich L.N. Quantum-chemical simulation of impurity-induced trapping of a hole: [Li]0 centre in MgO. - J.Phys.C:Solid State Phys., v.19, 1986, p.4183-4199.

1987

13. Gotlib V.I., Grebenchicov V.L., Zahre P., Kantorovich L.N., Nemiro E.A. Thermoluminescence dosimetry of beta radiation. - In: Luminescence detectors and converters of ionising radiation, 1987, Tartu, Est.SSR, p.20-29 (in Russian).

14. Kantorovich L.N. Excitonic representation for investigation of electronic polarization in insulating crystals.- Izv.Acad.Nauk Latv.SSR, No.5, 1987, p.18-24 (in Russian).

15. Kantorovich L.N. Multipole theory of the polarization of solids by point defect. IV.Electronic and spatial structure of single electronic and hole centers and their pairs in LiF, KCl crystals. - Phys.stat.sol.(b), v. 144, 1987, p.719-726.

1988

16. L.N.Kantorovich, G.M.Fogel, V.I.Gotlib. A theoretical description of complex thermoluminescence curves.- J.Phys.D:Appl.Phys., v.21, 1988, p.1008-1014.

17. Gotlib V.I., Grebenchicov V.L., Kantorovich L.N. and Sahre P. Thermoluminescence of beta radiation. - Rad.Prot.Dos., v.22, 1988, p.13-17.

18. Kantorovich L.N. An embedded-molecular-cluster method for calculating the electronic structure of point defects in non-metallic crystals: I.General theory. - J.Phys.C:Solid State Phys. v.21, 1988, p.5041-5056.

19. Kantorovich L.N. An embedded-molecular-cluster method for calculating the electronic structure of point defects in non - metallic crystals: II.Structure elements in the form of molecules - J.Phys.C:Solid State Phys., v.21, 1988, p.5057-5073.

20. Gotlib V.I., Grebenchicov V.L., Kantorovich L.N. Thermoluminescence dosimetry of beta radiation. - Rad.Prot.Dos., v.25, 1988, p.67-68.

21. Kantorovich L.N. Calculations of optical properties of glasses in the molecular cluster model accounting for a continuous disordering.- In: Spectroscopy of glasses, Riga, 1988, Latv.State Univ.Press, p.12-20 (in Russian).

1989

22. L.N.Kantorovich, G.M.Fogel - A theoretical description of complex thermoluminescence curves.II.Method of integral equation.- J.Phys.D: Appl.Phys., v.22, 1989, p.817-824.

1990

23. L.N.Kantorovich, G.M.Fogel, V.I.Gotlib. An integral equation method for discrete and continuous distribution of centres in thermoluminescence kinetics.- J.Phys.D: Appl. Phys., v.23, 1990, p.1219-1226.

24. Gotlib V.I., Grebenchicov V.L., Kantorovich L.N. and Nemiro E.A. Thermoluminescence dosimetry of beta radiation on the basis of several TL detectors of usual thickness. - Rad.Prot.Dos., v.34, 1990, p.131-134.

25. C.Pisani, R.Dovesi, R.Nada and L.N.Kantorovich. Ab initio Hartree - Fock pertubed-cluster treatment of local defects in crystals. - J.Chem. Phys., v.92, 1990, p.7448-7460.

1992

26. Kantorovich L.N. and Zapol B.P. A diagram technique for non- orthogonal electron group functions. I.Right coset decomposition of symmetric group. - J.Chem.Phys., v.96, No 11, 1992, p.8420-8426.

27. Kantorovich L.N. and Zapol B.P. A diagram technique for non- orthogonal electron group functions. II.Reduced density matrices and total energy. - J.Chem.Phys., v.96, No 11, 1992 p.8427-8438.

28. Kantorovich L.N. Method of functional derivatives in the theory of point defects in crystals. I.General theory: representations of the self-energy. - Phys.stat.sol.(b), v.171, 1992, p.113-129.

29. Kantorovich L.N. Method of functional derivatives in the theory of point defects in crystals. II.General theory: Total energy, electronic density and density of states. - Phys.stat.sol.(b), v.171, 1992, p.447- 458.

30. Shluger A.L., Kantorovich L.N., Heifets E.N., Shidlovskaya E.K. and Grimes R.W. Theoretical simulation of Vk-centre migration in KCl: I. A quantum-chemical study. - J.Phys. Condens. Matter, v.4, 1992, p.7417 - 7428.

31. E.A.Kotomin, L.N.Kantorovich, I.A.Tale and V.G.Tale. Theoretical simulation of Vk-centre migration in KCl: II.Phenomenological theory.- J.Phys. Condens. Matter, v.4, 1992, p.7429 - 7440.

32. Kantorovich L.N. and Livshitz A.I. A Novel Approach for Constructing Symmetry-Adapted Basis Sets for Quantum-Chemical Calculations. I.Real symmetry-adapted orbitals - Phys. stat.sol.(b), v.174, 1992, p.79-90.

1993

33. Kantorovich L., Heifets E., Livshitz A., Kuklja M. and Zapol P. Theoretical analysis of hole self-trapping in ionic solids. Application to the KCl crystal. - Phys. Rev. B, v.47, No.22, 1993, p.14875-14885.

33a. B. P. Zapol and L. N. Kantorovich. An operator technique for calculations using nonorthogonal electron group functions. - Latv. J. Phys. and Techn. Sciences, N.5, 1993, p. 18 -22.

1994

34. Kantorovich L.N., Livshitz A.I. and Fogel G.M. Thermoluminescence kinetic in the case of a continuous distribution of trap centers over their activation energies. - J.Phys. Condens. Matter, v.5, 1994, p.7503-7514.

35. Kantorovich L.N. and Zapol P.B. Theoretical investigation of the self- trapped hole in alkali halides. I.Long-range effects within the model hamiltonian approach. - Phys.Stat.Sol.(b), v.183, 1994, p.201-221.

36. Kantorovich L., Stashans A., Kotomin E. and Jacobs P.W.M. Quantum chemical simulations of hole self-trapping in semi-ionic crystals. - Int.J.Quant.Chem., v.52, 1994, p.1177-1198.

37. A.Martin Pendas, V.Luana, J.M.Recio, M.Florez, E.Francisco, M.A.Blanco and L.Kantorovich. Pressure induced B1-B2 phase transition in alkali halides: General aspects from first principles calculations. - Phys. Rev. B, v.49, No.5, 1994, 3066-3074.

1995

38. L.N.Kantorovich, Thermoelastic properties of perfect crystals with nonprimitive lattices. I. General theory. - Phys. Rev. B, v.51, 1995, p.3520-3534.

39. L.N.Kantorovich, Thermoelastic properties of perfect crystals with nonprimitive lattices. II. Application to KCl and NaCl. - Phys. Rev. B, v.51, 1995, p.3535-3548.

40. Kotomin E., Stashans A., Kantorovich L., Lifshitz A., Popov A., Tale I. and Calais J.-L., Calculations of the geometry and optical properties of FMg centers and dimer (F2-type) centers in corundum crystals. - Phys. Rev. B, v.51, 1995, p.8770-8778.

41. I.Manassidis, J.Goniakowski, L. Kantorovich and M.J.Gillan, The structure of the stoichiometric and reduced SnO2 (110) surface. - Surface Science, v.339, 1995, p. 258 - 271.

42. L.Kantorovich, J.Holender and M.J.Gillan, The energetics and electronic structure of defective and irregular surfaces on MgO. - Surface Science, v.343, 1995, p. 221 - 239.

43. J. Goniakowski, J. M. Holender, L. N. Kantorovich, M. J. Gillan and J. A. White, Influence of gradient corrections on the bulk and surface properties if TiO2 and SnO2. - Phys. Rev. B, v. 53, 1995, p. 957 - 960.

1996

44. L.Kantorovich and A.Shluger, Polrization of a semi-infinite crystal by a point defect at the surface. - Phys. Rev. B, v. 53, 1996, p. 136 - 147.

45. L.Kantorovich, M.J.Gillan and J. A. White, Adsorption of atomic oxygen on the MgO (001) surface. - J. Chem. Soc. Farad. Trans., v. 92, No. 12, 1996, p. 2075 - 2080.

46. P.B.Zapol and L.N.Kantorovich. Theoretical Investigation of Self-Trapped Hole in Alkali Halides. Long-Range Effects Within the Model Hamiltonian Approach. In: Prospectives of Polarons. Eds: G.N.Chuev and V.D.Lakhno. World Scientific (Singapore, New Jersey, London, Hong Kong), 1996, p: 38-62.

47. D. Ochs, W. Maus-Friedrichs, M. Brause, J. Günster, V. Kempter, V. Puchin, A. Shluger and L. Kantorovich, Study of the surface electronic structure of MgO bulk crystals and thin films. - Surface Science, v. 365, 1996, pp. 557 - 571.

1997

48. L.Kantorovich and M.J.Gillan, Adsorption of atomic and molecular oxygen on the MgO and CaO (001) surface. - Materials Science Forum, Vols. 239 - 241, 1997, pp. 637 - 640.

49. L.Kantorovich and M.J.Gillan , Adsorption of atomic and molecular oxygen on the MgO (001) surface. - Surface Science, v. 374, 1997, pp. 373 - 386.

50. L.Kantorovich and M.J.Gillan , The energetics of N2O dissociation on CaO (001). - Surface Science, v. 376, 1997, pp. 169 - 176.

51. A. L. Shluger, L. N. Kantorovich, A. I. Livshits and M. J. Gillan, Ionic and electronic processes at ionic surfaces induced by Atomic Force Microscope tips. - Phys. Rev. B, v. 56, 1997, pp. 15332- 15344.

52. G. D. Barrera, M. B. Taylor, N. L. Allan, T. H. K. Barron, L. N. Kantorovich and W. C. Mackrodt, Ionic solids at elevated temperatures and high pressures: MgF2. - J.  Chem. Phys., v. 107, 1997, pp. 4337-4344.

1998

53. P. V. Sushko, A. S. Foster, L. N. Kantorovich and A. L. Shluger, Investigating the effects of silicon tip contamnination in non-contact SFM. - Appl. Surf. Science, v. 144-145, 1998, pp. 608-612.

54.   L. N. Kantorovich,  Derivation of a hybrid scheme for cluster embedding. - J. Mol. Graphics & Modeling,   v. 16, No.4-6, 1998, pp. 272-273

1999

55. A. L. Shluger, P. V. Sushko and L. N. Kantorovich, Spectroscopy of low-coordinated surface sites: theoretical study of MgO. - Phys. Rev. B, v. 59, 1999, pp. 2417-2430 .

56. L. N. Kantorovich, I. I. Tupitsyn, Coulomb potential inside a large finite crystal. - J. Phys.: Condens. Matter, v. 11, 1999, pp. 6159-6168.

57. L. N. Kantorovich, A. L. Shluger, P. V. Sushko, J. Günster, P. Stracke, D.W. Goodman and V. Kempter, Mg Clusters on MgO surfaces: study of the nucleation mechanism with MIES and ab initio calculations. - Farad. Disc., v. 114, 1999, pp. 173-194.

58. L. Kantorovich, A. Shluger, J. Günster, J. Stultz, S. Krischok, D. W. Goodman, P. Stracke, V. Kempter, Mg Clusters on MgO surfaces: Characterization by MIES and Electronic Structure ab initio Calculations. - Nucl. Instr. Methods B, v. 157, 1999, pp. 162-166.

59. L. N. Kantorovich, Elimination of the long-range dipole interaction in calculations with Periodic Boundary Conditions. - Phys. Rev. B, v. 60, No. 23, 1999, pp. 15476-15479.

60. L. Kantorovich , General Discussion - Faraday Discussions, v . 114, 1999, pp. 235-238.

2000

61. L. Kantorovich, Application of the group function theory to infinite systems. - Int. J. Quant. Chem., v. 76, 2000, pp. 511-534. [DOI]

62. L. N. Kantorovich, A. L. Shluger, P. V. Sushko and A. M. Stoneham, The prediction of metastable impact electronic spectra (MIES): perfect and defective MgO (001) surfaces by state-of-the-art methods. - Surf. Science, v. 444, 2000, pp. 31-51. [DOI]

63. L. N. Kantorovich, A.I. Livshits and M. Stoneham, Electrostatic energy calculation for the interpretation of Surface Probe Microscopy experiments. - J. Phys.: Condens. Matter, v. 12, 2000, pp. 795-814. [DOI]

64. L. N. Kantorovich, A. S. Foster, A. L. Shluger and A. M. Stoneham, Role of image forces in NC-SFM images of ionic surfaces. - Surf. Science, v. 445, 2000, pp. 283-299. [DOI]

65. L. N. Kantorovich, Derivation of Atomistic Models for Lattices Consisting of Weakly Overlapping Structural Elements. - Int. J. Quant. Chem., v. 78, 2000, pp. 306-330. [DOI]

66. R. Bennewitz, A. S. Foster, L. N. Kantorovich, M. Bammerlin, Ch. Loppacher, S. Schar, M. Guggisberg, E. Meyer and A. L. Shluger, Atomically resolved edges and kinks of NaCl islands on Cu(111): experiment and theory. - Phys. Rev. B, v. 62, No. 3, 2000, pp. 2074-2084. [DOI]

67. L. Kantorovich, A. L. Shluger and A. M. Stoneham, Structure and Spectroscopy of Surface Defects from Scanning Force Microscopy: Theoretical Predictions. - Phys. Rev. Lett., v. 85, 2000, pp. 3846 -3849. [DOI]

2001

68. A. S. Foster, L. Kantorovich and A. Shluger, Tip and surface properties from the distance dependence of tip-surface interaction. - Appl. Phys. A , v. 72, 2001, pp. S59-S62.[DOI]

69. L. Kantorovich, A. L. Shluger and A. M. Stoneham,  Recognition of Surface Species in Atomic Force Microscopy: Optical properties of Cr3+ defect at the MgO (001) surface. - Phys. Rev. B, 2001, v. 63, pp. 184111-184123. [DOI]

70. L. Kantorovich, A simple nonequilibrium theory of non-contact dissipation force microscopy. - J. Phys. Condens. Matter, v. 13, No. 5, 2001, pp. 945-958. [DOI]

71. L. Kantorovich, Stochastic friction force mechanism of energy dissipation in noncontact atomic force microscopy. - Phys. Rev. B, 2001, v. 64, No. 245409 (13 pages). [DOI]

72. M. Y. Mo and L. Kantorovich, Application of the non-equilibrium statistical operator method (NESOM) to dissipation atomic force microscopy. - J. Phys. Condens. Matter, v. 13, No. 7, 2001, pp. 1439-1459. [DOI]

2002

73. L N Kantorovich, Energy dissipation above plane terraces of a model crystal in non-contact atomic force microscopy. - J. Phys.: Condens. Matter, v. 14, No 17, 2002, pp. 4329-4343. [DOI]

74. L N Kantorovich, Non-equilibrium dynamics of a classical tip interacting with a quantum surface. - J. Phys.: Condens. Matter, v. 14, No. 30, 2002, pp. 7123-7133. [DOI]

75. L N Kantorovich, Nonequilibrium statistical mechanics of mixed quantum classical ensembles: application to noncontact atomic force microscopy. - Phys. Rev. Letters, v. 89, No. 9, 2002, No. 096105. [DOI]

76. L N Kantorovich, Nonequilibrium statistical mechanics of mixed quantum classical ensembles: application to noncontact atomic force microscopy. - Virtual Journal of Nanoscale Science & Technology, v. 6, issue 9., 2002.

77. Bennewitz R, Pfeiffer O, Schar S, Barwich V, Meyer E, Kantorovich LN, Atomic corrugation in nc-AFM of alkali halides. - Appl. Surface Science, v. 188 (3-4), pp.232-237 (2002). [DOI]

78. L N Kantorovich, Quantum theory of energy dissipation in non-contact atomic force microscopy in Markovian approximation, - Surface Science, v. 521, Issue 3, pp. 117-128 (2002). [DOI]

2003

79. L. N. Kantorovich, Exact calculation of the tip friction within the harmonic model, - Appl. Surface Science, v. 210 (1-2), pp. 27-31 (2003). [DOI]

80. T. Trevethan and L. Kantorovich, Tip models and force definitions in molecular mynamics simualtions of scanning force microscopy. - Surface Science, v. 540, pp. 497--503 (2003). [DOI]

2004

 81. T. Trevethan and L. Kantorovich, Atomistic simulations of the adhesion hysteresis mechanism of atomic scale dissipation in non-contact atomic force microscopy, Nanotechnology, v. 15, pp. S34--S39 (2004). [DOI]

82. T. Trevethan and L. Kantorovich , Physical dissipation mechanisms in non-contact atomic force microscopy. - Nanotechnology, v. 15, pp. S44-S48 (2004). [DOI]

83. C. Hobbs and L. Kantorovich, Adsorption of C60 on the Si(001) surface calculated within the generalised gradient approximation. - Nanotechnology, v. 15, pp. S1--S4 (2004). [DOI]

84. O. Danyliv and L. Kantorovich, Comparison of localisation procedures for applications in crystal embedding. - Phys. Rev. B70, No.075113 (2004). [DOI]

85. O. Danyliv and L. Kantorovich, Strongly localized molecular orbitals for alpha-quartz. - J. Phys.: Condens. Matter, v. 16, pp. 7233-7246 (2004). [DOI]

86. L. Kantorovich and O. Danyliv. Electron density of periodic systems derived from non-orthogonal localized orbitals. - J. Phys.: Condens. Matter, v. 16, pp. 2575--2584 (2004). [DOI]

87. R. Hoffmann, L. N. Kantorovich, A. Baratoff, H. J. Hug, and H.-J Guntherodt, Sublattice identification in scanning force microscopy on alkali halide surfaces. - Phys. Rev. Lett., v. 92, No. 146103 (2004). [DOI]

88. S. Hao, L. Kantorovich, and G. Davies, Interstitial oxygen in Si and Si1-xGex. - Phys. Rev. B, v. 69, No. 155204 (2004). [DOI]

89. T. Trevethan and L. Kantorovich, Stochastic mechanism of energy dissipation in NC-AFM studied using molecular dynamics with Langevin boundary conditions. - Phys. Rev. B70, No. 115411 (2004). [DOI]

90. L. Kantorovich and T. Trevethan, General theory of microscopic dynamical response in surface probe microscopy: from imaging to dissipation.  - Phys. Rev. Lett., v. 93, No. 236102 (2004). [DOI]

91. S. Hao, L. Kantorovich, and G. Davis, Interstitial CiOi defect in bulk Si and Si1-xGex. - J. Phys. Cond. Matter, v. 16, No 47, pp. 8545-8555 (2004). [DOI]

92. T. Trevethan and L. Kantorovich, General theory of microscopic dynamical response in surface probe microscopy: from imaging to dissipation. - Virtual Journal of Biological Physics Research -- v. 8, No. 11 (2004).

2005

93. L. Kantorovich and T. Trevethan, Molecular dynamics simulations of atomic scale processes at close approach in non-contact atomic force microscopy. - Nanotechnology, v. 16 (2005) pp. S79-S84. [DOI]

94. D. L. Keeling, M. J. Humphry, R. H. J. Fawcett, P. H. Beton, C. Hobbs and L. Kantorovich, Bond breaking coupled with translation in rolling of covalently bound molecules.- Phys. Rev. Lett., v. 94 (2005) No. 146104. [DOI]

95. D. L. Keeling, M. J. Humphry, R. H. J. Fawcett, P. H. Beton, C. Hobbs and L. Kantorovich, Bond breaking coupled with translation in rolling of covalently bound molecules.- Virtual Journal of Nanoscale Science & Technology. -- v. 11, No. 16 (2005).

96. R. E. A. Kelly, Y. J. Lee and L. N. Kantorovich, Homo-pairing possibilities of the DNA base Adenine. - J. Phys. Chem.B, v.109, pp. 11933-11939 (2005). [DOI]

97. Wang Y, Kantorovich L, Arrow diagram approach to nonorthogonal electron group functions in extended systems. - J. Phys. Cond. Matter v. 18 (1), pp. 295-313 (2005). [DOI]

98. Kelly REA, Lee YJ, Kantorovich LN, Homopairing possibilities of the DNA bases cytosine and guanine: An ab initio DFT study. - J. Phys. Chem. B, v. 109 (46), pp. 22045-22052 (2005). [DOI]

99. Hobbs C, Kantorovich L, Gale JD, An ab initio study of C60 adsorption on the Si(001) surface. - Surf. Science, v. 591 (1-3), pp. 45-55 (2005). [DOI]

100. Kelly REA, Kantorovich LN, Hexagonal adenine networks constructed from their homopairings. - Surf. Science, v. 589 (1-3), pp. 139-152 (2005). [DOI]

2006

101. Hobbs C, Kantorovich L, Non-contact AFM images of a C60 molecule adsorbed on the Si(001) surface: An ab initio method. - Surf. Science, v. 600 (3), pp.551-558 (2006). [DOI]

102 Kelly REA, Kantorovich LN, Homopairing possibilities of the DNA base thymine and the RNA base uracil: An ab initio density functional theory study. - J. Phys. Chem. B, v.110 (5), pp.2249-2255 (2006). [DOI]

103 Y. J. Li, H. Nomura, N. Ozaki, Y. Naitoh, M. Kageshima, Y. Sugawara, C.Hobbs and L. Kantorovich, Origin of p(2x1) Phase on Si(001) by Noncontact Atomic Force Microscopy at 5 K. - Phys. Rev. Letters, v. 96, No.106104 (2006) [DOI]

104 T. Trevethan and L. Kantorovich, Models of atomic contrast in dissipation images of binary ionic surfaces in non-contact atomic force microscopy. - Nanotechnology, v. 17, pp. S205-S212 (2006). [DOI]

105 R. E. A. Kelly and L. Kantorovich, Planar nucleic acid base super-structures. - Journal of Materials Chemistry, v. 16, p. 1894 (2006), Feature Article. [DOI]

106 L. Kantorovich and C. Hobbs, Probing the Si(001) surface with a Si tip: an ab initio study. - Phys. Rev. B, v. 73, 245420 (2006). [DOI]

107 L. M. A. Perdigao, P. A. Staniec, N. A. Champness, R. E. A. Kelly, L. Kantorovich and P. Beton, Experimental and theoretical identification of adenine mononlayers on Ag-terminated Si(111). - Phys. Rev. B, v. 73, 195423 (2006). [DOI]

108. N. Martsinovich, C. Hobbs, L. Kantorovich, R. H. J. Fawcett, M. J. Humphry, D. L. Keeling and P. H. Beton, Manipulation of C60 on the Si(001) Surface: Experiment and Theory. - Phys. Rev. B, v. 74, 085304 (2006). [DOI]

109. T. Trevethan, M. Watkins, L. N. Kantorovich, A. L. Shluger, J. Polesel-Maris and S. Gauthier, Modelling atomic scale manipulation with the non-contact atomic force microscope. - Nanotechnology, v. 17, 5866-5874 (2006). [DOI]

110. L. Kantorovich, Simulating system dynamics with arbitrary time step. - Phys. Rev. B, v. 75, 064305 (2006). [DOI]

2007

111. T. Trevethan, M. Watkins, L. N. Kantorovich, and A. L. Shluger, Controlled manipulation of atoms in insulating surfaces with the Virtual Atomic Force Microscope. - Phys. Rev. Lett., v. 98, No.028101 (2007). [DOI]

112. R. Kelly and L. Kantorovich, Planar Heteropairing Possibilities of the DNA and RNA Bases: An ab initio Density Functional Theory Study. - J. Phys. Chem. C, v. 111, 3883-3892 (2007). [DOI]

113. T. Trevethan, L. N. Kantorovich, J. Polesel-Maris and S. Gauthier, Is atomic scale dissipation in NC-AFM real? Investigation using the Virtual Atomic Force Microscope. - Nanotechnology, v. 18, 084017 (2007). [DOI]

114. Yu Wang and Lev Kantorovich, Nonequilibrium statistical mechanics of classical nuclei interacting with the quantum electron gas. - Phys. Rev. B, v. 76, 144304 (2007) [DOI]

115. Trevethan T., Watkins M., Shluger A.L., Polesel-Maris J., Gauthier S., Kantorovich L.N., A comparison of dynamic atomic force microscope set-ups for performing atomic scale manipulation experiments. - Nanotechnology, v. 18, No. 345503 (2007). [DOI]

116. Trevethan T., Kantorovich L., Polesel-Maris J., Gauthier S., Shluger A., Multiscale model of the manipulation of single atoms on insulating surfaces using an atomic force microscope tip. - Phys. Rev. B, v. 76, No. 085414 (2007). [DOI]

117. Danyliv O., Kantorovich L., Cora F., Treating periodic systems using embedding: Adams-Gilbert approach. - Phys. Rev. B, v. 76, No. 045107 (2007). [DOI]

118. W. Mamdouh, M. Dong, R. E. A. Kelly, L. N. Kantorovich and F. Besenbacher, Coexistence of homochiral and heterochiral adenine domains at the liquid/solid interface. - J. Phys. Chem. B, v. 111, 12048-12052 (2007). [DOI]

119. Wei Xu, R. E. A. Kelly, R. Otero, M. Schock , E. Laegsgaard, I. Stensgaard, L. N. Kantorovich and F. Besenbacher, Probing the ierarchy of thymine-thymine interactions in self-asembled structures by manipulation with scanning tunneling microscopy. - Small, v. 3, p. 2011 (2007). [DOI]

120. M. Watkins, T. Trevethan, A.L. Shluger, L.N. Kantorovich, Dynamical processes at oxide surfaces studied with the virtual atomic force microscope. - Phys. Rev. B, v. 76, No. 245421 (2007). [DOI]

121. U. Wyder, A. Baratoff, E. Meyer, L.N. Kantorovich, J. David, S. Maier, T. Filleter, and R. Bennewitz, Interpretation of atomic friction experiments based on atomistic simulations. - Journal of Vacuum Science and Technology B25 (2007) 1547. [DOI]

2008

122. Wael Mamdouh, Ross E. A. Kelly, Mingdong Dong, Lev N. Kantorovich, Flemming Besenbacher, Two-Dimensional Supramolecular Nanopatterns Formed by the Co-adsorption of Guanine and Uracil at the Liquid/Solid Interface. - JACS, v. 130, pp. 695-702 (2008). [DOI]

123. N. Martsinovich and L. Kantorovich, Pulling the C60 molecule on a Si(001) surface with an STM tip: A theoretical study. - Phys. Rev. B, v. 77, No. 115429 (2008). [selected for the March 31, 2008 issue of Virtual Journal of Nanoscale Science & Technology.] [DOI]

124. N. Martsinovich and L. Kantorovich, Vertical manipulation of a molecule with chemical forces. - Physical Review B, v. 77, No. 205412 (2008) [selected for the May 26, 2008 issue of Virtual Journal of Nanoscale Science & Technology and May 15, 2008 issue of Virtual Journal of Biological Physics Research] [DOI]

125. N. Martsinovich, L. Kantorovich, R. H. J. Fawcett, M. J. Humphry and P. H. Beton. Constrained molecular manipulation mediated by attractive and repulsive tip-adsorbate forces. - Small, v. 4, p. 765-769 (2008). [DOI]

126. N. Martsinovich and L. Kantorovich. Theoretical modelling of tip effects in the pushing manipulation of C60 on the Si(001) surface. - Nanotechnology, v. 19, No. 235702 (2008). [appeared on the 'Lab talk' channel] [DOI]

127. R. Otero, M. Lukas, R. E. A. Kelly, W. Xu, E. Lagsgaard, I. Stensgaard, L. N. Kantorovich, F. Besenbacher. Elementary Structural Motifs in a Random Network of Cytosine Adsorbed on a Gold(111) Surface? - Science, v. 319, pp. 312-315 (2008). [DOI]

128. R. E. A. Kelly, W. Xu, M. Lukas, L. N. Kantorovich, R. Otero, M. Mura, Y. J. Lee, E. Lagsgaard, I. Stensgaard, F. Besenbacher. An investigation into the interactions between self-assembled adenine molecules and the Au(111) surface. - Small, v. 4, 1494-1500 (2008). [DOI]

129. F. Silly, A. Q. Shaw, M. R. Castell, G. A. D. Briggs, M. Mura, N. Martsinovich and L. Kantorovich. Melamine structures on the Au(111) surface. - J. Phys. Chem. C, v. 112, p. 11476-11480 (2008). [DOI]

130. N. Martsinovich and L. Kantorovich. A comparative theoretical study of O- and S-containing hydrogen-bonded supramolecular structures. - J. Phys. Chem. C, v. 112, pp. 17340-17350 (2008). [DOI]

131. R. Otero, W. Xu, M. Lukas, R. E. A. Kelly, E. Laegsgaard, I. Stensgaard, L. Kantorovich, F. Besenbacher. Specificity of Watson-Crick base pairing on a solid surface studied at the atomic scale. - Angew. Chem. Int. Ed., v. 47, pp. 9673-9676 (2008). [DOI]

132. L. Kantorovich. Generalised Langevin Equation for solids: I. Rigorous derivation and main properties. - Phys. Rev. B, v. 78, No. 094304 (2008). [DOI]

133. L. Kantorovich and N. Rompotis. Generalised Langevin Equation for solids: II. Stochastic Boundary Conditions for non-equilibrium molecular dynamics simulations. - Phys. Rev. B, v. 78, No. 094305 (2008). [DOI]

134. A. Bellec, D. Riedel, D. Dujardin, N. Rompotis and L. Kantorovich. Dihydride dimer structures on the Si(100):H surface studied by low-temperature scanning tunneling microscopy. - Phys. Rev. B, v. 78, No. 165302 (2008). [DOI]

135. R. E. A. Kelly, M. Lukas, L. N. Kantorovich, R. Otero, W. Xu, M. Mura, E. Laesgaard, I. Stensgaard and F. Besenbacher. Understanding Disorder of the DNA Base Cytosine on the Au(111) surface. - J. Chem. Phys. v. 129, 184707 (2008). [published in Virtual Journal of Nanoscale Science & Technology, 1 December 2008; published by the Virtual Journal of Biological Physics Research, Nov. 15, 2008] [DOI]

136. M. Mura, N. Martsinovich and L. Kantorovich. Theoretical study of melamine super-structures and their interaction with the Au(111) surface. - Nanotechnology, v. 19, No. 465704 (2008). [DOI]

2009

137. M. Lukas, R. Kelly, L. Kantorovich, R. Otero, W. Xu, E. Laegsgaard, I. Stensgaard and F. Besenbacher. Adenine monolayers on the Au(111) surface: structure identification by STM experiment and ab initio calculations. - JCP, v 130, No. 024705 (2009).[selected for the January 26, 2009, issue of Virtual Journal of Nanoscale Science & Technology] [DOI]

138. N. Martsinovich and L. Kantorovich. Modelling the manipulation of C60 on the Si(001) surface performed with NC-AFM. - Nanotechnology, v. 20, 135706 (2009). [Selected by the Editor as an article of particular interest.] [DOI]

139. J. He, C. di Paolo and L. Kantorovich. Partitioning scheme for precise density functional calculations of extended systems. - J. Chem. Phys., v. 130, No. 144104 (2009). [Selected for the April 15, 2009 issue of Virtual Journal of Biological Physics Research] [DOI]

140. W. Xu, R. E. A. Kelly, H. Gersen, E. Lagsgaard, I.Stensgaard, L. Kantorovich, F. Besenbacher. Prochiral Guanine adsorption on Au(111): An entropy stabilised intermixed Guanine-quartet chiral structure. - Small, v. 5, 1952 (2009). [DOI]

141. W. Mamdouh, R. Kelly, M. D. Dong, M. F. Jacobsen, E. E. Ferapontova, L. N. Kantorovich, K. V. Gothelf and F. Bessenbacher. Self-assembly of artificial nucleobase 1H-benzimidazole-4,7-dione at the liquid/solid interface. - J. Phys. Chem. B, v. 113, 8675 (2009). [DOI]

142. Yu Wang and L. Kantorovich, Arrow diagram theory for nonorthogonal electronic groups: method of continued fractions. - J. Phys. Cond. Matter, v. 21, 474204 (2009), Special issue in honour of Richard Palmer. [DOI]

143. M. Mura, F. Silly, G. A. D. Briggs, M. R. Castell and L. Kantorovich. H-bonding supramolecular assemblies of PTCDI molecules on the Au(111) surface. - J. Phys. Chem. C, v. 113, 21840-21848 (2009). [DOI]

144. R. Kelly and L. Kantorovich. Homopairings of the Artificial Nucleobase 1H-benzoimidazole-4,7-dione. - J. Phys. Chem. B, v. 113, p. 16016-16020 (2009). [DOI]

2010

145. T. Trevethan, A. Shluger and L. Kantorovich. Modelling components of future molecular devices. - J. Phys. Cond. Matter, v. 22, 084024 (2010) - Special issue "Prospects in surface science" [DOI]

146. D. Toton, C. D. Lorenz, N. Rompotis, N. Martsinovich and L. Kantorovich. Temperature Control in Molecular Dynamic Simulations of Non-Equilibrium Processes. - J. Phys. Cond. Matter, v. 22, No. 074205 (2010). - Special issue in honour of Mike Gillan. [DOI]

147. M. Mura, A. Gulans, T. Thonhauser and L. Kantorovich. Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au(111) surface. - Phys. Chem. Chem. Phys., v. 12, 4759 - 4767 (2010). [DOI]

148. M. Mura, X. Sun, F. Silly, H. T. Jonkman, G.A.D. Briggs, M. R. Castell, and L. N. Kantorovich, Experimental and theoretical analysis of H-bonded supramolecular assemblies of PTCDA molecules. - Phys. Rev. B 81, 195412 (2010). [DOI]

149. D. Toton, J. He, G. Goryl, J. Koaodziej, S. Godlewski, L. Kantorovich, and M. Szymonski. Structure of InSb (001) surface. - J. Phys. Cond. Matter, v. 22, 265001 (2010). [DOI]

150. G. Goryl, D. Toton, N. Tomaszewska, J. S. Prauzner-Bechcicki, L. Walczak, A. Tejeda, A. Taleb-Ibrahimi, L. Kantorovich, E. G. Michel, and J. J. Kolodziej. Structure of the indium-rich InSb(001) surface. - Phys. Rev. B 82, 165311 (2010). [DOI]

151. W. Xu, J.-G. Wang, M. F. Jacobsen, M. Mura, M. Yu, R. E. A. Kelly, Q.-Q. Meng, E. Lagsgaard, I. Stensgaard, T. R. Linderoth, J. Kjems, L. N. Kantorovich, K. V. Gothelf, and F. Besenbacher. Supramolecular Porous Network Formed by Molecular Recognition between Chemically Modified Nucleobases Guanine and Cytosine. - Angew. Chem. Int. Ed., v. 49, pp. 9373-9377 (2010). [DOI]

2011

152. V. M. Burlakov and L. Kantorovich, Ostwald ripening of binary alloy particles. - J. Chem. Phys., v. 134, 024521 (2011). [DOI]

153. A. Sweetman, S. Jarvis, R. Danza, J. Bamidele, S. Gangopadhyay, G. A. Shaw, L. Kantorovich, and P. Moriarty. Toggling bistable atoms via mechanical switching of bond angle. - PRL, v. 106, No. 136101 (2011) [DOI]

154. D. Toton, S. Godlewski, G. Goryl, J. J. Kolodziej, L. Kantorovich and M. Szymonski, Architecture of PTCDA molecular structures on a reconstructed InSb(001) surface. - Phys. Rev. B, v. 83, 235431 (2011). [DOI]

155. A. Sweetman, S. Jarvis, R. Danza, J. Bamidele, L. Kantorovich and P. Moriarty. Manipulating Si(100) at 5 K using qPlus noncontact atomic force microscopy: Role of defects and dynamics in the mechanical switching of atoms. - Phys. Rev. B, v. 84, 085426 (2011). [DOI]

156. M. Yu, J. Wang, M. Mura, Q.-Q. Meng, W. Hu, H. Gersen, E. Lagsgaard, I. Stensgaard, R. Kelly, J. Kjems, T. R. Linderoth, L. N. Kantorovich and F. Besenbacher. Homochoral Xanthine quintet networks self-assembled on Au(111) surfaces. - ACS Nano, v. 5, pp. 6651-6660 (2011). [DOI]

2012

157. X. Sun, M. Mura, H. Jonkman, L. Kantorovich and F. Silly. Fabrication of Complex Two-Dimensional Adenine - Perylene-3,4,9, 2,10-tetracarboxylic Dianhydride Chiral Nanoarchitecture through Molecular Self-Assembly. - J. Phys. Chem. C, v. 116, 2493-2499 (2012). [DOI]

158. M. Mura, F. Silly, V. Burlakov, M. R. Castell, G. A. D. Briggs and L. Kantorovich. Formation Mechanism for a Hybrid Supramolecular Network Involving Cooperative Interactions. - Phys. Rev. Letters, v. 108, 176103 (2012). [DOI]

159. S. Jarvis, A. Sweetman, J. Bamidele, L. Kantorovich and P. Moriarty. Role of orbital overlap in atomic manipulation - Phys. Rev. B, v. 85, 235305 (2012). [DOI]

160. C. Chiutu, S. Jarvis, A. J. Lakin, A. Stannard, A. M. Sweetman, L. Kantorovich, J.L. Dunn, and P. Moriarty. Precise orientation of a Single C60 Molecule on the tip of a scanning probe microscopen. - Phys. Rev. Letters, v. 108, No. 268302 (2012). [DOI]

161. Peter Sharp, Sam Jarvis, Richard Woolley, Adam Sweetman, Lev Kantorovich, Chris Pakes, and Philip Moriarty. Identifying passivated dynamic force microscopy tips on H:Si(100). - Appl. Phys. Lett., v. 100, 233120 (2012). [DOI]

162. J. Bamidele, Y. Kinoshita, R. Turansky, S. H. Lee, Y. Naitoh, Y. J. Li, Y. Sugawara, I. Stich, and L. Kantorovich. Chemical tip fingerprinting in scanning probe microscopy of an oxidized Cu(110) surface. - Phys. Rev. B, v. 86, No. 155422 (2012). [DOI]

163. H. Labidi, L. Kantorovich and D. Riedel. Atomic-scale control of hydrogen bonding on a bare Si(100) 2x1 surface. - Phys. Rev. B, v. 86, No. 165441 (2012). [DOI]

164. J. Bamidele, Y. J. Li, S. Jarvis, Y. Naitoh, Y. Sugawara, and L. Kantorovich, Complex Design of Dissipation Signals in Non Contact Atomic Force Microscopy. - PCCP, v. 14, 16250-16257 (2012). [DOI]

2013

165. A. I. Livshits and L. Kantorovich. Guanine assemblies on the Au(111) surface: a theoretical study. - J. Phys. Chem. C, v. 117, 5684-5692 (2013). [DOI]

166. Marek Kolmer, Szymon Godlewski, Jakub Lis, Bartosz Such, Lev Kantorovich, Marek Szymonski. Construction of atomic-scale logic gates on a surface of hydrogen passivated germanium. - Microelectronic Engineering, v. 109, p. 262-265 (2013). [DOI]

167. J. Bamidele, J. Brndiar, A. Gulans, L. Kantorovich, and Ivan Stich. Critical Importance of van der Waals Stabilization in Strongly Chemically Bonded Surfaces: Cu(110):O. - J. Chem. Theory and Comput. (JCTC), v. 9, 5578-5584 (2013). [DOI]

168. 3. S. Jarvis, L. Kantorovich and P. Moriarty. Structural development and energy dissipation in simulated silicon apices. - Belstein J. Nanotechn. v.4, 941-948 (2013). [DOI]

2014

169. M. Marschall, J. Reichert, K. Diller, S. Klyatskaya, M. Ruben, A. Nefedov, C. Woll, L. N. Kantorovich, F. Klappenberger, and J. V. Barth. Meta positioning of carbonitrile functional groups induces edge-on phase of oligophenyl derivatives. Meta-Positioning of Carbonitrile Functional Groups Induces Interfacial Edge-On Phase of Oligophenyl Derivatives - J. Phys. Chem. C, v. 118, p. 2622-2633 (2014). [DOI]

170. L. Stella, C. D. Lorenz, and L. Kantorovich. Generalized Langevin equation: An efficient approach to nonequilibrium molecular dynamics of open systems. - Phys. Rev. B, v. 89, 134303 (2014). [selected as an Editor's suggestion] [DOI]

171. A. M. Sweetman, S. Jarvis, H. Sang, I. Lekkas, P. Rahe, Yu Wang, J. Wang, N. Champness, L. Kantorovich, and P. J. Moriarty. Mapping the force-field of a hydrogen-bonded assembly. - Nature Comm., v. 5, p. 3931 (2014). [DOI]

172. J. Posthuma de Boer, I. J. Ford, L. Kantorovich and D. D. Vvedensky. Optimization algorithm for rate equations with an application to epitaxial graphene. - J. Phys.: Condens. Matter, v. 26, p. 185008 (2014). [DOI]

173. D. Abbasi-Perez, J. M. Recio, and L.Kantorovich. Building Motifs during Self-Assembly of para-Terphenyl-meta-dicarbonitrile on a Metal Surface: A Gas-Phase Study. - J. Phys. Chem. C, v. 118, p. 10358-10365 (2014). [DOI]

174. H. Tetlow, J. Posthuma de Boer, I. J. Ford, D. Vvedensky, J. Coraux and L. Kantorovich. Growth of Epitaxial Graphene: Theory and Experiment. - Physics Reports, v. 542, p. 195-295 (2014). [DOI]

175. J. Bamidele, S. H. Lee, Y. Kinoshita, R. Turansky, Y. Naitoh, Y. J. Li, Y. Sugawara, I. Stich, and L. Kantorovich. Vertical atomic manipulation with dynamic AFM without tip change via multi-step mechanism. - Nature Comm., v. 5, p. 4476 (2014). [DOI]

176. L. Brinkmann, E. Heifets and L. Kantorovich. Density functional calculations of extended, periodic systems using Coulomb corrected Molecular Fractionation with Conjugated Caps method (CC-MFCC). - PCCP, v. 16, p. 21252-21270 (2014). [DOI]

177. J. Bamidele, Y. Kinoshita, R. Turansky, S. H. Lee, Y. Naitoh, Y. J. Li, Y. Sugawara, I. Stich, and L. Kantorovich. Image Formation and Contrast Inversion in NC-AFM Imaging of the Oxidized Cu(110) Surfaces. - Phys. Rev. B 90, 035410 (2014). [DOI]

178. A. Sweetman, S. P. Jarvis, P. Rahe, N. R. Champness, L. Kantorovich, and Philip Moriarty. Intramolecular bonds resolved on a semiconductor surface. - Phys. Rev. B 90, 165425 (2014). [DOI]

179. Hongqian Sang, Samuel Paul Jarvis, Zhichao Zhou, Peter Sharp, Jianbo Wang, Yu Wang, and Lev Kantorovich. Identifying tips for intramolecular NC-AFM imaging via in situ tip fingerprinting. - Scientific Reports, v. 4, p. 6678 (2014). [DOI]

2015

180. S. Jarvis, A. Sweetman, I. Lekkas, N. Champness, L. Kantorovich, P. Moriarty. Simulated structure and imaging of NTCDI on Si(111)-7x7: a combined STM, NC-AFM and DFT study. - J. Phys.: Cond. Matter, v. 27, 054004 (2015). [DOI]

181. H. Ness, L. Stella, C.D. Lorenz, and L. Kantorovich. Applications of the Generalised Langevin Equation: towards a realistic description of the baths. - Phys. Rev. B 91, 014301 (2015). [DOI]

182. David Abbasi-Perez, J. Manuel Recio, and Lev Kantorovich. The role of isomerization in the kinetics f self-assembly: p-Terphenyl-m-Dicarbonitrile on the Ag(111) Surface. - Phys. Chem. Chem. Phys., v. 17, 11182 (2015). [DOI]

183. S. Jarvis, A. Sweetman, L. Kantorovich, E. McGlynn, and . Moriarty. Pauli's principle probe microscopy. - in "Imaging and manipulation of adsorbates using dynamic force microscopy" (Proceedings of the AtMol conference series, Nottingham, U.K., 2013), p. 1-24 (2015), Springer.

184. Michael Ridley, Angus MacKinnon, and Lev Kantorovich. Current through a multi-lead junction caused by applied bias with arbitrary time-dependence. - Phys. Rev. B 91, 125433 (2015). [DOI]

185. Sam Haq, Bareld Wit, Hongqian Sang, Andrea Floris, Yu Wang, Jianbo Wang, Lluisa Perez-Garcia, Lev Kantorovitch, David B. Amabilino and Rasmita Raval. A small molecule that walks along a surface between paorphyrin fences assembled in situ. - Angewante Chemie Int. Ed., v. 54, p. 7101-7105 (2015). [DOI]

186. Szymon Godlewski, Marek Kolmer, Jakub Lis, Rafal Zuzak, Bartosz Such, Wojciech Gren, Marek Szymonski and Lev Kantorovich. Dynamical behaviour of a dangling bond dimer on a hydrogenated semiconductor: Ge(001):H. - Phys. Rev. B 92, 115403 (2015). [DOI]

2016

187. Michael Ridley, Angus MacKinnon, and Lev Kantorovich. Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire. - J. of Physics: Conf. Series, v. 696, 012017 (2016). [DOI]

188. Andrea Floris, Sam Haq, Mendel I. Veld, David B. Amabilino, Rasmita Raval, and Lev Kantorovich. Driving forces for covalent assembly of porphyrins by selective C-H bond activation and intermolecular coupling on a copper surface. - JACS 138, 5837-5847 (2016). [DOI]

189. Michael Ridley, Angus MacKinnon, and Lev Kantorovich. Fluctuating-bias controlled electron transport in molecular junctions. - Phys. Rev. B 93, 205408 (2016). [DOI]

190. H. Ness, A. Genina, L. Stella, C.D. Lorenz, and L. Kantorovich. Nonequilibrium processes from Generalised Langevin Equations: realistic nanoscale systems connected to two thermal baths. - Phys. Rev. B, v. 93, 174303 (2016) [DOI]

191. Chiara Paris, Andrea Floris, Simon Aeschlimann, Markus Kittelmann, Felix Kling, Ralf Bechstein, Angelika Kuhnle, and Lev Kantorovich. Increasing the templating effect on a bulk insulator surface: from a kinetically trapped to a thermodynamically more stable structure. - J. Phys. Chem. C, v. 120, 17546 (2016). [DOI]

192. H. Tetlow, J. P. de Boer, I. J. Ford, D. D. Vvedensky, D. Curcio, L. Omiciuolo, S. Lizzit, A. Baraldi and L. Kantorovich. Ethylene decomposition on Ir(111): initial path to graphene formation. - PCCP, v. 18, 27897 (2016) [DOI]

193. Y. Kinoshita, R. Turansky, J. Brndiar, Y. Naitoh, Y. J. Li, L. Kantorovich, Y. Sugawara, and I. Stich. Promoting atoms into delocalized long-living magnetically modified state using Atomic Force Microscopy. - Nano Letters, 16 7490 (2016). [DOI]

194. L. Kantorovich, H. Ness, L. Stella, C.D. Lorenz. $c$-number Quantum Generalised Langevin Equation for an open system. - Phys. Rev. B 94, 184305 (2016). [DOI]

2017

195. H. Tetlow, I. Ford and L. Kantorovich. A free energy study of carbon clusters on Ir(111): precursors of graphene growth. - J. Chem. Phys. 146, 044702 (2017). [DOI]

196. G. M. G. McCaul, C. D. Lorenz and L. Kantorovich. Partition-free approach to open quantum systems in harmonic environment: An exact stochastic Liouville equation. - Phys. Rev. B 95, 125124 (2017) [DOI]

197. Junning Li, Yu Wang, Davide Curcio, Silvano Lizzit, Alessandro Baraldi, Lev Kantorovih and Andreas Floris. Ethylene dissociation on Ni$_3$Al (111). - J. Phys. Chem. C 121, p. 7967 (2017). [DOI]

198. Michael Ridley, Angus MacKinnon, and Lev Kantorovich. Partition-free theory of time-dependent current correlations in nanojunctions in response to an arbitrary time-dependent bias. - Phys. Rev. B 95, 165440 (2017). [DOI]

199. H. Ness, L. Stella, C. D. Lorenz, and L. Kantorovich. Nonequilibrium generalised Langevin equation for the calculation of heat transport properties in model 1D atomic chains coupled to two 3D thermal baths. - J. Chem. Phys. 146, 164103 (2017). [DOI]

200. C. Guo, Y. Wang, M. Kittelmann, L. Kantorovitch, A. Kuhnle, and A. Floris. Mechanism of covalent dimerisation on a bulk insulator surface. - J. Phys. Chem. C 121, 10053 (2017). [DOI]

201. F. Presel, C. A. Tache, H. Tetlow, D. Curcio, P. Lacovig, L. Kantorovich, S. Lizzit, and A. Baraldi. Spectroscopic Fingerprints of Carbon Monomers and Dimers on Ir(111) : Experiment and Theory. - J. Phys. Chem. C 121, p. 11335 (2017). [DOI]

202. L. Stella, H. Ness, C. D. Lorenz, and L. Kantorovich. Modelling a bistable system strongly coupled to a Debye bath: a quasiclassical approach based on the Generalised Langevin Equation. - Comput. Methods in Sci. and Tech., 23, p. 251 (2017). [DOI]

2018

203. Chong Chen, Hongqian Sang, Pengcheng Ding, Ye Sun, Manuela Mura, Ying Hu, Lev N. Kantorovich, Flemming Besenbacher, and Miao Yu. Xanthine Quartets on Au(111). - JACS 140, 54-57 (2018). [DOI]

204. H. Tetlow, D. Curcio, A. Baraldi and L. Kantorovich. Hydrocarbon decomposition kinetics on the Ir(111) surface. - PCCP 20, 6083 (2018). [DOI]

205. A. Richter, A. Floris, R. Bechstein, L. Kantorovich, and A. Kuhnle. On-surface synthesis on a bulk insulator. - J. Phys.: Condes. Matter, v. 30, 133001 (2018). [DOI]

206. Francesco Presel, Holly Tetlow, Luca Bignardi, Paolo Lacovig, Cristian A. Tache, Silvano Lizzit, Lev Kantorovich, and Alessandro Baraldi. Graphene growth by molecular beam epitaxy: an inteplay between desorption, diffusion and intercalation of elemental C species on the islands. - Nanoscale 10, 7396 (2018). [DOI]

207. G. M. G. McCaul, C. D. Lorenz and L. K. Kantorovich. Driving spin-boson models from equilibrium exact quantum dynamnics. - Phys. Rev. B 97, 224310 (2018). [DOI]

208. L. K. Kantorovich. Non-adiabatic dynamics of electrons and atoms under non-equilibrium conditions. - Phys. Rev. B 98, 014307 (2018). [DOI]

209. Chiara Paris, Andrea Floris, Simon Aeschlimann, Julia Neff, Felix Kling, Angelika Kuhnle, and Lev Kantorovich. Kinetic control of molecular assembly on surfaces. - Comm. Chem. 1 , 66 (2018). [DOI] (included on the 16 May 2022 into the collection that showcases the 2D chemistry research)

210 C. Cheng, P. Ding, M. Mura, Y. Sun, L. N. Kantorovich, H. Gersen, F. Besenbacher and M. Yu. Formation of hypxanthine tetrad by reaction with sodium chloride: from planar to stereo. - Angev. Chem. Int. Ed. 57, 16015 (2018). [DOI]

211 Q. Zhang, Y. J. Li, H. F. Wen, Y. Adachi, M. Miyazaki, Y. Sugawara, R. Xu, Z. H. Cheng, J. Brndiar, L. Kantorovich and I. Stich. Measurement and manipulation of the charge state of adsorbed oxygen adatom on rutile TiO2(11)-1x1 surface by nc-AFM and KPFM. - JACS 140, 15668 (2018). [DOI]

212. J. P. de Boer, I. J. Ford, L. Kantorovich and D. D. Vvedensky. Phase-field method for epitaxial kinetics on surfaces. - J. Chem. Phys. 149, 194107 (2018). [DOI]

2019

213. D. Abbasi-Perez, H. Sang, L. Perez-Garcia, A. Floris, D. B. Amabilino, R. Raval, J. M. Recio, and L. Kantorovich. Controlling preferential motion of chiral molecular walkers at a surface.- Chem. Science, v. 10, 5864 (2019). [DOI] [Correction: v. 10, 6220 (2019) DOI]

214. Yuuki Adachi, Huan Fei Wen, Quan zhen Zhang, Masato Miyazaki, Yasuhiro Sugawara, Hongqian Sang, Jan Brndiar, Lev Kantorovich, Ivan Stich, and Yan Jun Li. Tip-induced Control of Charge and Molecular Bonding of Oxygen Atoms on the Rutile TiO2 (110) Surface with Atomic Force Microscopy. - ACS Nano , 13, p. 6917-6924 (2019). [DOI]

215. S. Aeschlimann, J. Neff, R. Bechstein, C. Paris, A. Floris, K. Kantorovich, and A. Kuhnle. Focus on the essential: extracting the decisive energy barrier of a complex process. - Adv. Materials Interfaces, v.6 , 1900795 (2019). [DOI]

216. H. Sang, D. Abbasi-Perez, J. M. Recio and L. Kantorovich. Externally driven molecular ratchets on a periodic potential: a rate equations approach. - PCCP, v. 21, 3310 (2019) [DOI]

2020

217. L. Laflor, F. Schlage, L. Kantorovich, P. Moriarty, M. Reichling, and P. Rahe. Quadruped molecular anchoring to an insulator: functionalised ferrocene on CaF2 bulk and think film surfaces. - J. Phys. Chem. C 124, 9900 (2020). [DOI]

218. L. Kantorovich. Generalised Langreth rules. - Phys. Rev. B 101, 165408 (2020). [DOI]

219. Shigeki Kawai, Hongqian Sang, Lev Kantorovich, Keisuke Takahashi, Kyoko Nozaki, and Shingo Ito. An endergonic sythesis of Single Sondheimer-Wong diyne synthesized by local probe chemistry. - Angewante Chemie Int. Ed. 59 10842-10847 (2020). [DOI]

220. M. A. Lane, D. Matos, I. J. Ford, and L. Kantorovich. Exactly Thermalised Quantum Dynamics of the Spin-Boson Model coupled to a Dissipative Environment. - Phys. Rev. B 101, 224306 (2020) [DOI]

221. Yanghan Chen, Chong Chen, Pengcheng Ding, Guoqiang Shi, Ye Sun, Lev Kantorovich, Flemming Besenbacher, Miao Yu. Molecular Recognition and Homochirality Preservation of Guanine Tetrads in the Presence of Melamine. - Nano Research 13, 2427 (2020). [DOI]

222. Miao Yu, Chong Chen, Qi Liu, Hongqian Sang, Cristina Mattioli, Pengfei Guan, Shaoshan Wang, Pengcheng Ding, Ye Sun, Andre Gourdon, Lev Kantorovich, Flemming Besenbacher, Federico Rosei, and Xueming Yang. Long-range Ordered and Atomic-scale Control of Graphene Hybridization by Photocycloaddition. - Nature Chem. 12, 1035 -1041 (2020) [DOI]

223. Guoqiang Shi, Junfeng Zhou, Zhuo Li, Ye Sun, Lev N. Kantorovich, Qiang Fang, Flemming Besenbacher, and Miao Yu. Graphene-like Covalent Organic Framework with Wide Bandgap Synthesized On Surface via Stepwise Reactions. - Angew. Chemie Int. Ed., 59, 15958 (2020) [DOI]

224. Z. Zhao and L. Kantorovich. Kinetics of growth of covalent assembly of porphyrin molecules on a copper surface. - J. Phys. Chem C 124, 22250-22258 (2020) [DOI]

225. D. Matos, M. A. Lane, I. J. Ford, and L. Kantorovich. Efficient choice of coloured noises in stochastic dynamics of open quantum systems. - Phys. Rev. E 102, 062134 (2020). [DOI]

2021

226. Michael Ridley, Lev Kantorovich, Robert van Leeuwen, and Riku Tuovinen, Quantum interference and the time-dependent radiation of nanojunctions. - Phys. Rev. B 103, 115439 (2021). [DOI]

227. Shaoshan Wang, Zhuo Li, Pengcheng Ding, Cristina Mattioli, Chong Chen, Wujun Huang, Yang Wang, Andre Gourdon, Ye Sun, Mingshu Chen, Lev Kantorovich, Xueming Yang, Federico Rosei, and Miao Yu. On-Surface Decarboxylation Coupling Facilitated by Lock-to-Unlock Variation of Molecules upon the Reactionn. - Angew. Chemie Int. Ed. 60, 17435-17439 (2021). [DOI]

228. Yuuki Adachi, J. Brndiar, Huan Fei Wen, Quanzhen Zhang, Masato Miyazaki, Sourbh Thakur, Yasuhiro Sugawara, Hongqian Sang, YanJun Li, Ivan Stich, and Lev Kantorovich. Electron dynamics of tip-tunable oxygen species on TiO2 surface. - Comm. Materials 2, 71 (2021) [DOI]

229. Samuel P Jarvis, Hongqian Sang, Filipe Junqueira, Oliver Gordon, Jo E. A. Hodgkinson, Alex Saywell, Philipp Rahe, Salvatore Mamone, Simon Taylor, Adam Sweetman, Jeremy Leaf, David Duncan, Tien-Lin Lee, Pardeep K. Thakur, Gabriella Hoffman, Richard Whitby, Malcolm Levitt, Georg Held, Lev Kantorovich, Philip Moriarty, and Robert G Jones, Chemical shielding of H2O and HF encapsulated inside a C60 cage. - Comm. Chem. 4, 135 (2021). [DOI]

230. David Abbasi-Perez, Hongqian Sang, Filipe L Q Junqueira, Adam Sweetman, J. Manuel Recio, Philip Moriarty and Lev Kantorovich, Atomic cranes for cyclic single atom vertical manipulation. - J. Phys. Chem. Lett. 12, 11383 (2021). [DOI]

231. Shaoshan Wang, Pengcheng Ding, Cristina Mattioli, Chong Chen, Ye Sun, Lev Kantorovich, Andre Gourdon, Flemming Besenbacher, and Miao Yu. Subsurface Carbon-Induced Local Charge of Copper for On-Surface Displacement Reaction. - Angew. Chemie Int. Ed. 60, 23123-23127 (2021) [DOI]

232. Quanzhen Zhang, Jan Brndiar, Yuuki Adachi, Martin Konopka, Huan Fei Wen, Masato Miyazaki, Yasuhiro Sugawara, Rui Xu, Zhi Hai Cheng, Hongqian Sang, Yan Jun Li, Lev Kantorovich, and Ivan Stich. Voltage- and Redox State-Triggered Oxygen Adatom Conductance Switch. - J. Phys. Chem. C 125, 26801-26807 (2021) [DOI]

2022

233. Shuaishuai Yuan, Lev Kantorovich, Alexander L. Shluger, and Kirk H. Bevan, Atomistic insights into the formation dynamics of charged point defects: a classical molecular dynamics study of F+-centers in NaCl. - Phys. Rev. Materials 6, 015404 (2022) [DOI]

234. Chong Chen, Pengcheng Ding, Zhuo Li, Guoqiang Shi, Ye Sun, Lev N. Kantorovich, Flemming Besenbacher, Miao Yu. Super-robust xanthine-sodium complexes on Au(111). - Angew. Chemie Int. Ed. 61, e202200064 (2022). [DOI]

235. Yuuki Adachi, Huan Fei Wen, Quanzhen Zhang, Masato Miyazaki, Yasuhiro Sugawara, Jan Brndiar, Lev Kantorovich, Ivan Stich and Yan Jun Li, Charge State Tristability of Oxygen Adatom on Rutile TiO2(110)-(1x1) surface Controlled by Atomic Force Microscopy. - J. Phys. Chem. C 126, 5064-5069 (2022). [DOI]

236. D. Matos, L. Kantorovich and I. J. Ford. Stochastic entropy production for continuous measurememnts of an open quantum system. - J. Phys. Comm. 6, 25003 (2022). [DOI] (accepted 29.11.22).

237. Z. Li, G. Shi, J. Zhou, Y. Chen, P. Ding, W. Yi, Y. Sun, X. Yang, L. Kantorovich, F. Rosei and M. Yu. Olefin cyclization on Cu(111) driven by subsurface carbon and ultraviolet irradiation. - Cell Reports Phys. Sci., 3, 101172 (2022). [DOI]

2023

238. Zhuo Li, Zhaoyan Gao, Jinping Hu, Cristina Mattioli, Pengcheng Ding, Wenpeng Xu, Ye Sun, Junjie Li, Dingyong Zhong, Yudong Huang, Geng Li, Fei Song, Andre Gourdon, Lev N. Kantorovich, Flemming Besenbacher, and Miao Yu. Large-distance quantum confinement passing through a single-layer graphene. - Cell Reports Physical Science, 4, 101492 (2023). [DOI]

239. Y. Adachi, J. Brndiar, M. Konopka, R. Turansky, Q. Zhu, H. F. Wen, Y. Sugawara, L. Kantorovich, I. Stich, and Y. J. Li Tip-activated single-atom catalysis: CO oxidation on Au adatom on oxidized rutile TiO2 surface. - Sci. Adv. 9 eadi4799 (2023), [DOI]

240. Pengcheng Ding, Shaoshan Wang, Cristina Mattioli, Zhuo Li, Guoqiang Shi, Ye Sun, Andre Gourdon, Lev Kantorovich, Flemming Besenbacher, Federico Rosei & Miao Yu. Extending on-surface synthesis from 2D to 3D by cycloaddition with C60. - Nature Comm. 14 6075 (2023). [DOI]

2024

241. Yao Wei, Valera Veryazov and Lev Kantorovich. A comprehensive exploration of structural and electronic properties of molybdenum clusters. - APL Materials. 12 031127 (2024). [DOI]

242. Florian Schneider, Lukas Holtkemeier, Andrea Floris, Lev Kantorovich, Ralf Bechsteina and Angelika Kuhnle. Impact of long-range attraction on desorption kinetics. - PCCP 26, 12282 (2024). [DOI]

243. Yanghan Chen, Pengcheng Ding, Ye Sun, Lev N. Kantorovich, Flemming Besenbacher, Miao Yua. Highly-selective metalation of porphyrin enabled by distinct aromatic ring-fused structures. - Materials Today Physics 42, 101392 (2024). [DOI]

244.Yanghan ChenW, ei Yi, Pengcheng Ding, Ye Sun, Lev Kantorovich and Miao Yu. On-Surface Boronation of Porphyrin into a Molecular DipoleClick to copy article link. - Nano Letters (2024). [DOI]

244. Yao Wei, Alejandro Santana-Bonilla, and Lev Kantorovich. Global Optimization of Molybdenum Subnanoclusters on Graphene: A Consistent Approach toward Catalytic Applications. - AVCS Appl. Materials and Interfaces, ??, ??? (2024). [DOI]

(C) Submitted papers

1. Zhuo Li, Guoqiang Shi, Junfeng Zhou, Yanghan Chen, Ye Sun, Lev N. Kantorovich, Xin Yang, Qiang Fang, Flemming Besenbacher, and Miao Yu. Diversified Coupling in Covalent Organic Frameworks Synthesized on Cu(111) by Multiple Reactions Between Olefin Groups. - Chem. Sci. (2020)

2. M. A. Lane and L. Kantorovich. Describing non-Hermitian dynamics using a Generalized Three-Time NEGF for a Partition-free Molecular Junction with Electron-Phonon Coupling. - Phys. Rev. B (2021).

(D) Papers in Preparation and work

1. Matt Lane - on stochastic transport (toy model)

nextupprevious
Next:About this document ...
Lev Kantorovich

8/11/1999