Carvalho, Alexandra, Martsinovich, Natalia, Vieira, Ricardo and Troisi, Alessandro. (2013) Charge injection rates in hybrid nanosilicon–polythiophene bulk heterojunction solar cells. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 117 (Number 1). pp. 110-115. ISSN 1932-7447

Ambrosio, Francesco, Martsinovich, Natalia and Troisi, Alessandro. (2012) Effect of the anchoring group on electron injection : theoretical study of phosphonated dyes for dye-sensitized solar cells. Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.116 (No.3). pp. 2622-2629. ISSN 1932-7447

Martsinovich, Natalia, Ambrosio, Francesco and Troisi, Alessandro. (2012) Adsorption and electron injection of the N3 metal–organic dye on the TiO2 rutile (110) surface. Physical Chemistry Chemical Physics, Volume 14 (Number 48). p. 16668. ISSN 1463-9076

Martsinovich, Natalia and Troisi, Alessandro. (2012) How TiO2 crystallographic surfaces influence charge injection rates from a chemisorbed dye sensitiser. Physical Chemistry Chemical Physics, Vol.14 (No.38). pp. 13392-13401. ISSN 1463-9076

Maggio, E., Martsinovich, Natalia and Troisi, Alessandro. (2012) Theoretical study of charge recombination at the TiO2-electrolyte interface in dye sensitised solar cells. The Journal of Chemical Physics, Volume 137 (Number 22). Article number 22A508. ISSN 0021-9606

Ambrosio, Francesco, Martsinovich, Natalia and Troisi, Alessandro. (2012) What is the best anchoring group for a dye in a dye-sensitized solar cell? The Journal of Physical Chemistry Letters, Vol.3 (No.11). pp. 1531-1535. ISSN 1948-7185

Eder, Georg, Kloft, Stephan, Martsinovich, Natalia, Mahata, Kingsuk, Schmittel, Michael, Heckl, Wolfgang M. and Lackinger, Markus. (2011) Incorporation dynamics of molecular guests into two-dimensional supramolecular host networks at the liquid–solid interface. Langmuir, Vol.27 (No.22). pp. 13563-13571. ISSN 0743-7463

Martsinovich, Natalia and Troisi, Alessandro. (2011) High-throughput computational screening of chromophores for dye-sensitized solar cells. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.23). pp. 11781-11792. ISSN 1932-7447

Martsinovich, Natalia and Troisi, Alessandro. (2011) Theoretical studies of dye-sensitised solar cells : from electronic structure to elementary processes. Energy & Environmental Science, Vol.4 (No.11). pp. 4473-4495. ISSN 1754-5692

Martsinovich, Natalia and Troisi, Alessandro. (2010) Modeling the self-assembly of benzenedicarboxylic acids using Monte Carlo and molecular dynamics simulations. Journal of Physical Chemistry C, Vol.114 (No.10). pp. 4376-4388. ISSN 1932-7447

Toton, Dawid, Lorenz, Christian D., Rompotis, Nicolas, Martsinovich, Natalia and Kantorovich, Lev. (2010) Temperature control in molecular dynamic simulations of non-equilibrium processes. Journal of Physics: Condensed Matter, Vol.22 (No.7). Article 4205. ISSN 0953-8984

Martsinovich, Natalia, Jones, Daniel R. and Troisi, Alessandro. (2010) Electronic structure of TiO2 surfaces and effect of molecular adsorbates using different DFT implementations. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.114 (No.51). pp. 22659-22670. ISSN 1932-7447

Martsinovich, Natalia, Jones, Daniel R. and Troisi, Alessandro. (2010) Electronic structure of TiO2 surfaces and effect of molecular adsorbates using different DFT implementations. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 114 (Number 51). pp. 22659-22670. ISSN 1932-7447

Martsinovich, Natalia and Kantorovich, L.. (2009) Modelling the manipulation of C-60 on the Si(001) surface performed with NC-AFM. Nanotechnology, Vol.20 (No.13). Article no. 135706. ISSN 0957-4484

Martsinovich, Natalia and Kantorovich, L. (2009) Theoretical modelling of tip-induced manipulation of C-60 on the Si(001) surface. In: International Conference on Physics, Chemistry and Application of Nanostructures, Minsk, Russia, May 26-29, 2009. Published in: Physics, Chemistry and Application of Nanostructure pp. 499-502.