Physical Chemistry Chemical Physics

Research outputs

  1. 2019
  2. Published

    Hydrogen adsorption trends on various metal-doped Ni2P surfaces for optimal catalyst design

    Partanen, L., Hakala, M. & Laasonen, K., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 1, p. 184-191 8 p.

    Research output: Contribution to journalArticleScientificpeer-review

  3. 2018
  4. Published

    Aggregation response of triglyceride hydrolysis products in cyclohexane and triolein

    Vierros, S., Österberg, M. & Sammalkorpi, M., 31 Oct 2018, In : Physical chemistry chemical physics : PCCP. 20, 42, p. 27192-27204 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  5. 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 journalArticleScientificpeer-review

  6. 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 journalArticleScientificpeer-review

  7. 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 journalArticleScientificpeer-review

  8. 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 journalArticleScientificpeer-review

  9. 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 journalArticleScientificpeer-review

  10. Published

    Effects of 1-hexanol on C12E10 micelles: A molecular simulations and light scattering study

    Vierros, S. & Sammalkorpi, M., 2018, In : Physical Chemistry Chemical Physics. 20, 9, p. 6287-6298 12 p.

    Research output: Contribution to journalArticleScientificpeer-review

  11. 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 journalArticleScientificpeer-review

  12. 2017
  13. 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 journalArticleScientificpeer-review

  14. Published

    Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage

    Kronberg, R., Hakala, M., Holmberg, N. & Laasonen, K., 7 Jun 2017, In : Physical Chemistry Chemical Physics. 19, 24, p. 16231-16241 11 p.

    Research output: Contribution to journalArticleScientificpeer-review

  15. Published

    Mediated water electrolysis in biphasic systems

    Peljo, P., 1 Jan 2017, In : Physical Chemistry Chemical Physics. 19, 34, p. 22700-22710 11 p.

    Research output: Contribution to journalArticleScientificpeer-review

  16. 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 journalArticleScientificpeer-review

  17. 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 journalArticleScientificpeer-review

  18. 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 journalArticleScientificpeer-review

  19. 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 journalArticleScientificpeer-review

  20. 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 journalArticleScientificpeer-review

  21. 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 journalArticleScientificpeer-review

  22. 2016
  23. 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 journalArticleScientificpeer-review

  24. 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 journalArticleScientificpeer-review

  25. 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 journalArticleScientificpeer-review

  26. 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 journalArticleScientificpeer-review

  27. Published

    An analytical model of hydrogen evolution and oxidation reactions on electrodes partially covered with a catalyst

    Kemppainen, E., Halme, J. & Lund, P. D., 2016, In : Physical Chemistry Chemical Physics. 18, 19, p. 13616-13628 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  28. 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 othersTynkkynen, J. & Vilov, S., 2016, In : Physical Chemistry Chemical Physics. 18, 47, p. 32560-32569 10 p.

    Research output: Contribution to journalArticleScientificpeer-review

  29. 2015
  30. 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 journalArticleScientificpeer-review

  31. Published

    Chemistry specificity of DNA-polycation complex salt response: A simulation study of DNA, polylysine and polyethyleneimine

    Antila, H. S., Härkönen, M. & Sammalkorpi, M., 2015, In : Physical Chemistry Chemical Physics. 17, 7, p. 5279-5289

    Research output: Contribution to journalArticleScientificpeer-review

  32. 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 journalArticleScientificpeer-review

  33. Published

    First principles study of the atomic layer deposition of alumina by TMA/H2O-process

    Weckman, T. & Laasonen, K., 2015, In : Physical Chemistry Chemical Physics. 17, 26, p. 17322-17334 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  34. 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 journalArticleScientificpeer-review

  35. 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 journalArticleScientificpeer-review

  36. 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 journalArticleScientificpeer-review

  37. 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 journalArticleScientificpeer-review

  38. Published

    Role of hydration in phosphatidylcholine reverse micelle structure and gelation in cyclohexane: a molecular dynamics study

    Vierros, S. & Sammalkorpi, M., 2015, In : Physical Chemistry Chemical Physics. 17, 22, p. 14951-14960

    Research output: Contribution to journalArticleScientificpeer-review

  39. Published

    Ultrathin undoped tetrahedral amorphous carbon films: thickness dependence of electronic structure and implications to electrochemical behavior

    Protopopova, V. S., Wester, N., Caro, M. A., Gabdullin, P. G., Palomäki, T., Laurila, T. & Koskinen, J., 2015, In : Physical Chemistry Chemical Physics. 17, 14, p. 9020-9031 12 p.

    Research output: Contribution to journalArticleScientificpeer-review

  40. 2014
  41. 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 journalArticleScientificpeer-review

  42. 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 journalArticleScientificpeer-review

  43. 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 journalArticleScientificpeer-review

  44. 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 journalArticleScientificpeer-review

  45. 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 journalArticleScientificpeer-review

  46. 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 journalArticleScientificpeer-review

  47. 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 journalArticleScientificpeer-review

  48. 2013
  49. 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 journalArticleScientificpeer-review

  50. 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 journalArticleScientificpeer-review

  51. 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 journalArticleScientificpeer-review

  52. Published

    High performance low temperature carbon composite catalysts for flexible dye sensitized solar cells

    Hashmi, S. G., Halme, J., Saukkonen, T., Rautama, E-L. & Lund, P., 2013, In : Physical Chemistry Chemical Physics. 15, 40, p. 17689-17695 7 p.

    Research output: Contribution to journalArticleScientificpeer-review

  53. Published

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

    Vähäkangas, J., Ikäläinen, S., Lantto, P. & Vaara, J., 2013, In : Physical Chemistry Chemical Physics. 15, 13, p. 4634-4641

    Research output: Contribution to journalArticleScientificpeer-review

  54. 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 journalArticleScientificpeer-review

  55. 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 journalArticleScientificpeer-review

  56. 2012
  57. 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 journalArticleScientificpeer-review

  58. 2011
  59. Published

    Linking optical and electrical small amplitude perturbation techniques for dynamic performance characterization of dye solar cells

    Halme, J., 2011, In : Physical Chemistry Chemical Physics. 21, 13, p. 12435-12446

    Research output: Contribution to journalArticleScientificpeer-review

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