PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Research outputs

  1. 2018
  2. Published
  3. Published

    Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride

    Dong, H., Hirvonen, P., Fan, Z. & Ala-Nissila, T. 13 Sep 2018 In : Physical Chemistry Chemical Physics. 20, 38, p. 24602-24612 11 p.

    Research output: Contribution to journalArticle

  4. Published

    Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water

    Hänninen, V., Murdachaew, G., Nathanson, G. M., Gerber, R. B. & Halonen, L. 1 Jan 2018 In : Physical Chemistry Chemical Physics. 20, 36, p. 23717-23725 9 p.

    Research output: Contribution to journalArticle

  5. Published

    Chemical-bond effect on epitaxial strain in perovskite sodium niobate

    Yao, L., Inkinen, S., Pacherova, O., Jelinek, M., Van Dijken, S. & Tyunina, M. 1 Jan 2018 In : Physical Chemistry Chemical Physics. 20, 6, p. 4263-4268 6 p.

    Research output: Contribution to journalArticle

  6. Published

    Nanoscale liquid crystal lubrication controlled by surface structure and film composition

    Jana, P. K., Chen, W., Alava, M. J. & Laurson, L. 1 Jan 2018 In : Physical Chemistry Chemical Physics. 20, 27, p. 18737-18743 7 p.

    Research output: Contribution to journalArticle

  7. Published

    Computational exploration of Fe55@C240-catalyzed Fischer-Tropsch synthesis

    Cilpa-Karhu, G. & Laasonen, K. 2018 In : Physical Chemistry Chemical Physics. 20, 4, p. 2741-2753 13 p.

    Research output: Contribution to journalArticle

  8. Published
  9. Published

    Hydrogen adsorption trends on Al-doped Ni 2 P surfaces for optimal catalyst design

    Hakala, M. & Laasonen, K. 2018 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20, 20, p. 13785-13791 7 p.

    Research output: Contribution to journalArticle

  10. 2017
  11. Published

    Ability of Poisson-Boltzmann Equation to Capture Molecular Dynamics Predicted Ion Distribution around Polyelectrolytes

    Batys, P., Luukkonen, S. & Sammalkorpi, M. Sep 2017 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19, p. 24583-24593

    Research output: Contribution to journalArticle

  12. Published
  13. Published

    Chiral organocatalysts based on lipopeptide micelles for aldol reactions in water

    Soares, B. M., Aguilar-Pontes, M. V., Silva, E. R., Coutinho-Neto, M. D., Hamley, I. W., Reza, M., Ruokolainen, J. & Alves, W. A. 2017 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19, 2, p. 1181-1189 9 p.

    Research output: Contribution to journalArticle

  14. Published

    Diacetylene polymerization on a bulk insulator surface

    Richter, A., Haapasilta, V., Venturini, C., Bechstein, R., Gourdon, A., Foster, A. S. & Kühnle, A. 2017 In : Physical Chemistry Chemical Physics. 19, 23, p. 15172-15176 5 p.

    Research output: Contribution to journalArticle

  15. Published

    Dispersion interactions in silicon allotropes

    Karttunen, A. J., Usvyat, D., Schütz, M. & Maschio, L. 2017 In : Physical Chemistry Chemical Physics. 19, 11, p. 7699-7707 9 p.

    Research output: Contribution to journalArticle

  16. Published

    Evolution of nanostructured single-phase CoSb3 thin films by low-energy ion beam induced mixing and their thermoelectric performance

    Bala, M., Gupta, S., Srivastava, S. K., Amrithapandian, S., Tripathi, T. S., Tripathi, S. K., Dong, C-L., Chen, C-L., Avasthi, D. K. & Asokan, K. 2017 In : Physical Chemistry Chemical Physics. 19, 36, p. 24886-24895 10 p.

    Research output: Contribution to journalArticle

  17. Published

    Partitioning of caffeine in lipid bilayers reduces membrane fluidity and increases membrane thickness

    Khondker, A., Dhaliwal, A., Alsop, R. J., Tang, J., Backholm, M., Shi, A. C. & Rheinstädter, M. C. 2017 In : Physical Chemistry Chemical Physics. 19, 10, p. 7101-7111 11 p.

    Research output: Contribution to journalArticle

  18. Published

    Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids

    Ribeiro, F. M. S., Lima, C. F. R. A. C., Vaz, I. C. M., Rodrigues, A. S. M. C., Sapei, E., Melo, A., Silva, A. M. S. & Santos, L. M. N. B. F. 2017 In : Physical Chemistry Chemical Physics. 19, 25, p. 16693-16701 9 p.

    Research output: Contribution to journalArticle

  19. 2016
  20. Published

    Correlation of growth temperature with stress, defect states and electronic structure in an epitaxial GaN film grown on c-sapphire via plasma MBE

    Krishna, S., Aggarwal, N., Mishra, M., Maurya, K. K., Singh, S., Dilawar, N., Nagarajan, S. & Gupta, G. 21 Mar 2016 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18, 11, p. 8005-8014 10 p.

    Research output: Contribution to journalArticle

  21. Published

    The electrooxidation-induced structural changes of gold di-superatomic molecules: Au-23 vs. Au-25

    Matsuo, S., Yamazoe, S., Goh, J-Q., Akola, J. & Tsukuda, T. 14 Feb 2016 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18, 6, p. 4822-4827 6 p.

    Research output: Contribution to journalArticle

  22. Published

    Charge distribution and Fermi level in bimetallic nanoparticles

    Holmberg, N., Laasonen, K. & Peljo, P. 28 Jan 2016 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18, 4, p. 2924-2931 8 p.

    Research output: Contribution to journalArticle

  23. Published

    Nanostructured BN-Mg composites: features of interface bonding and mechanical properties

    Kvashnin, D. G., Krasheninnikov, A., Shtansky, D., Sorokin, P. B. & Golberg, D. 14 Jan 2016 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18, 2, p. 965-969 5 p.

    Research output: Contribution to journalArticle

  24. Published
  25. Published

    Molecular electrometer and binding of cations to phospholipid bilayers

    Catte, A. , Girych, M. , Javanainen, M. , Loison, C. , Melcr, J. , Miettinen, M. S. , Monticelli, L. , Määttä, J. , Oganesyan, V. S. , Ollila, S. & 2 others Tynkkynen, J. & Vilov, S. 2016 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18, 47, p. 32560-32569 10 p.

    Research output: Contribution to journalArticle

  26. 2015
  27. Published

    Atmospheric pressure PECVD nanoparticles: Mechanism of nanoparticle self-organisation into micron sized fractal clusters on a solid surface

    Mishin, M. V., Zamotin, K. Y., Protopopova, V. S. & Alexandrov, S. E. 21 Mar 2015 In : Physical Chemistry Chemical Physics. 17, 11, p. 7138-7148 11 p.

    Research output: Contribution to journalArticle

  28. Published
  29. Published

    CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activity

    Ma, L., Melander, M., Laasonen, K. & Akola, J. 2015 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17, 10, p. 7067-7076 10 p.

    Research output: Contribution to journalArticle

  30. Published
  31. Published

    Improved Raman and photoluminescence sensitivity achieved using bifunctional Ag@SiO2 nanocubes

    Nguyen, M-K., Chen, C-H., Su, W-N., Rick, J. & Hwang, B-J. 2015 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17, 33, p. 21226-21235 10 p.

    Research output: Contribution to journalArticle

  32. Published

    Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms

    Espinosa Leal, L. A., Karpenko, A., Caro, M. A. & Lopez-Acevedo, O. 2015 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17, 47, p. 31463-31471

    Research output: Contribution to journalArticle

  33. Published

    Phase diagrams of nanoalloys: influence of size and morphology

    Berthier, F., Maras, E. & Legrand, B. 2015 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 1, 42, p. 28347-53

    Research output: Contribution to journalArticle

  34. Published

    Phase evolution and electrical properties of Co-Sb alloys fabricated from Co/Sb bilayers by thermal annealing and ion beam mixing

    Bala, M., Pannu, C., Gupta, S., Tripathi, T. S., Tripathi, S. K., Asokan, K. & Avasthi, D. K. 2015 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17, 37, p. 24427-24437 11 p.

    Research output: Contribution to journalArticle

  35. Published
  36. Published
  37. 2014
  38. Published

    Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface

    Chen, J-C., Reischl, B., Spijker, P., Holmberg, N., Laasonen, K. & Foster, A. S. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 41, p. 22545-22554 10 p.

    Research output: Contribution to journalArticle

  39. Published

    Dissolution of NaCl nanocrystals: an ab initio molecular dynamics study

    Holmberg, N., Chen, J-C., Foster, A. S. & Laasonen, K. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 33, p. 17437-17446 10 p.

    Research output: Contribution to journalArticle

  40. Published

    Effect of Electrolyte Bleaching on the Stability and Performance of Dye Solar Cells

    Mastroianni, S., Asghar, M. I., Miettunen, K., Halme, J., Lanuti, A., Brown, T. M. & Lund, P. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 13, p. 6092-6100 9 p.

    Research output: Contribution to journalArticle

  41. Published

    Free energy barriers for CO2 and N2 in zeolite NaKA: an ab initio molecular dynamics approach

    Mace, A., Laasonen, K. & Laaksonen, A. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 1, p. 166-172 7 p.

    Research output: Contribution to journalArticle

  42. Published

    Molecular and magnetic structure of carbon-enclosed and partially covered Fe55 particles

    Taubert, S. & Laasonen, K. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 8, p. 3648-3660 13 p.

    Research output: Contribution to journalArticle

  43. Published

    Towards a thermally regenerative all-copper redox flow battery

    Peljo, P., Lloyd, D., Doan, N., Majaneva, M. & Kontturi, K. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, 7, p. 2831-2835

    Research output: Contribution to journalArticle

  44. Published

    Water and carbon oxides on monoclinic zirconia: experimental and computational insights

    Kouva, S., Andersin, J., Honkala, K., Lehtonen, J., Lefferts, L. & Kanervo, J. 2014 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16, p. 20650-20664

    Research output: Contribution to journalArticle

  45. 2013
  46. Published

    A DFT study of Adsorption of Perylene on Clean and Altered Anatase (101) TiO2

    Ikäläinen, S. & Laasonen, K. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, 28, p. 11673-11678 6 p.

    Research output: Contribution to journalArticle

  47. Published

    Frictional forces between hydrophilic and hydrophobic particle coated nanostructured surfaces

    Hansson, P. M., Claesson, P. M., Swerin, A., Briscoe, W. H., Schoelkopf, J., Gane, P. A. C. & Thormann, E. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, 41, p. 17893-17902

    Research output: Contribution to journalArticle

  48. Published

    Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations

    Kaminský, J., Budensky, M., Taubert, S., Bour, P. & Straka, M. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, p. 9223-9230

    Research output: Contribution to journalArticle

  49. Published
  50. Published
  51. Published

    Nuclear magnetic resonance predictions for graphenes: concentric finite models and extrapolation to large systems

    Vähäkangas, J., Ikalainen, S., Lantto, P. & Vaara, J. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, 13, p. 4634-4641

    Research output: Contribution to journalArticle

  52. Published

    On heterogeneity in fluorescent few-atom silver nanoclusters

    Díez, I., Ras, R. H. A., Kanyuk, M. I. & Demchenko, A. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, 3, p. 979-985 7 p.

    Research output: Contribution to journalArticle

  53. Published

    Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

    Inkinen, J., Sakko, A., Ruotsalainen, K., Pylkkänen, T., Niskanen, J., Galambosi, S., Hakala, M., Monaco, G., Huotari, S. & Hämäläinen, K. 2013 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 15, p. 9231-9238

    Research output: Contribution to journalArticle

  54. 2012
  55. Published

    Computational study of the adsorption and dissociation of phenol on Pt and Rh surfaces

    Honkela, M. L., Bjoerk, J. & Persson, M. 2012 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 14, 16, p. 5849-5854

    Research output: Contribution to journalArticle

  56. 2011
  57. Published
  58. Published

    Mechanism of the initial stages of nitrogen-doped single-walled carbon nanotube growth

    Susi, T., Lanzani, G., Nasibulin, A. G., Ayala, P., Jiang, T., Bligaard, T., Laasonen, K. & Kauppinen, E. I. 2011 In : PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 13, 23, p. 11303-11307 5 p.

    Research output: Contribution to journalArticle

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