Deutsche Forschungsgemeinschaft (DFG)

Troisi, Alessandro, Cheung, David L. and Andrienko, Denis (2009) Charge transport in semiconductors with multiscale conformational dynamics. Physical Review Letters, Vol.102 (No.11). article no.116602 . doi:10.1103/PhysRevLett.102.116602 ISSN 0031-9007.

Engineering and Physical Sciences Research Council (EPSRC)

McMahon, David Paul, Cheung, David L., Goris, Ludwig, Dacuña, Javier, Salleo, Alberto and Troisi, Alessandro (2011) Relation between microstructure and charge transport in polymers of different regioregularity. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.39). pp. 19386-19393. doi:10.1021/jp207026s ISSN 1932-7447.

O'Brien, Paul A. C., Allen, M. P., Cheung, David L., Dennison, M. (Matthew) and Masters, Andrew (2011) Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion. Soft Matter, Vol.7 (No.1). pp. 153-162. doi:10.1039/c0sm00541j ISSN 1744-683X.

Liu, Tao, Cheung, David L. and Troisi, Alessandro (2011) Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells. Physical Chemistry Chemical Physics, Vol.13 (No.48). pp. 21461-21470. doi:10.1039/c1cp23084k ISSN 1463-9076.

Cheung, David L. (2010) Molecular simulation of nanoparticle diffusion at fluid interfaces. Chemical Physics Letters, Vol.495 (No.1-3). pp. 55-59. doi:10.1016/j.cplett.2010.06.074 ISSN 0009-2614.

Fortuna, S. (Sara), Cheung, David L. and Troisi, Alessandro (2010) Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. Journal of Physical Chemistry B, Vol.114 (No.5). pp. 1849-1858. doi:10.1021/jp9098649 ISSN 1520-6106.

Cheung, David L. and Schmidt, M. (Matthias) (2009) Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix. Journal of Chemical Physics, Vol.131 (No.21). p. 214705. doi:10.1063/1.3267728 ISSN 0021-9606.

Cheung, David L. and Bon, Stefan Antonius Franciscus (2009) Stability of Janus nanoparticles at fluid interfaces. Soft Matter, Vol.5 (No.20). pp. 3969-3976. doi:10.1039/b908462b ISSN 1744-683X.

Cheung, David L., McMahon, David Paul and Troisi, Alessandro (2009) A realistic description of the charge carrier wave function in microcrystalline polymer semiconductors. Journal of the American Chemical Society, Vol.131 (No.31). pp. 11179-11186. doi:10.1021/ja903843c ISSN 0002-7863.

Cheung, David L., McMahon, David Paul and Troisi, Alessandro (2009) Computational study of the structure and charge-transfer parameters in low-molecular-mass P3HT. Journal of Physical Chemistry B, Vol.113 (No.28). pp. 9393-9401. doi:10.1021/jp904057m ISSN 1520-6106.

Troisi, Alessandro and Cheung, David L. (2009) Transition from dynamic to static disorder in one-dimensional organic semiconductors. Journal of Chemical Physics, Vol.131 (No.1). article no. 014703 . doi:10.1063/1.3167406 ISSN 0021-9606.

Troisi, Alessandro, Cheung, David L. and Andrienko, Denis (2009) Charge transport in semiconductors with multiscale conformational dynamics. Physical Review Letters, Vol.102 (No.11). article no.116602 . doi:10.1103/PhysRevLett.102.116602 ISSN 0031-9007.

Cheung, David L. and Bon, Stefan Antonius Franciscus (2009) Interaction of nanoparticles with ideal liquid-liquid interfaces. Physical Review Letters, Vol.102 (No.6). 066103. doi:10.1103/PhysRevLett.102.066103 ISSN 0031-9007.

Dennison, M. (Matthew), Masters, Andrew J., Cheung, David L. and Allen, M. P. (2009) Calculation of direct correlation function for hard particles using a virial expansion. Molecular Physics, Vol.107 (No.4-6). pp. 375-382. doi:10.1080/00268970902784934 ISSN 0026-8976.

Cheung, David L. and Troisi, Alessandro (2009) Molecular structure and phase behaviour of hairy-rod polymers. Physical Chemistry Chemical Physics, Vol.11 (No.12). pp. 2105-2112. doi:10.1039/b818428c ISSN 1463-9076.

O'Brien, Paul A. C., Allen, M. P., Cheung, David L., Dennison, M. (Matthew) and Masters, Andrew J. (2008) Elastic constants of hard thin platelets by Monte Carlo simulation and virial expansion. Physical Review E, Vol.78 (No.5). 051705. doi:10.1103/PhysRevE.78.051705 ISSN 1539-3755.

Cheung, David L., Anton, Lucian, Allen, M. P., Masters, Andrew J., Phillips, J. (Jonathan) and Schmidt, M. (Matthias) (2008) Structure and stability of isotropic states of hard platelet fluids. Physical Review E, Vol.78 (No.4). 041201. doi:10.1103/PhysRevE.78.041201 ISSN 1539-3755.

Cheung, David L. and Allen, M. P. (2008) Effect of substrate geometry on liquid-crystal-mediated nanocylinder-substrate interactions. Journal of Chemical Physics, Vol.129 (No.11). p. 114706. doi:10.1063/1.2977968 ISSN 0021-9606.

Cheung, David L., Anton, Lucian, Allen, M. P. and Masters, Andrew J. (2008) Computer simulation of liquids and liquid crystals. In: Conference on Computational Physics, Brussels, Belgium, 5th-8th Sep 2007. Published in: Computer Physics Communications, Vol.179 (No.1-3). pp. 61-65. doi:10.1016/j.cpc.2008.01.029 ISSN 0010-4655.

Cheung, David L. (2008) Monte Carlo simulations of liquid crystals between microstructured substrates. Journal of Chemical Physics, Vol.128 (No.19). p. 194902. doi:10.1063/1.2918737 ISSN 0021-9606.

Cheung, David L. and Allen, M. P. (2008) Forces between cylindrical nanoparticles in a liquid crystal. Langmuir, Vol.24 (No.4). pp. 1411-1417. doi:10.1021/la702348c ISSN 0743-7463.

Cheung, David L., Anton, Lucian, Allen, M. P. and Masters, Andrew J. (2008) Structure of molecular liquids : hard rod-disk mixtures. Physical Review E, Vol.77 (No.1). 011202. doi:10.1103/PhysRevE.77.011202 ISSN 1539-3755.

Cheung, David L. and Troisi, Alessandro (2008) Modelling charge transport in organic semiconductors : from quantum dynamics to soft matter. Physical Chemistry Chemical Physics, Vol.10 (No.39). pp. 5941-5952. doi:10.1039/b807750a

European Research Council (ERC)

McMahon, David Paul, Cheung, David L. and Troisi, Alessandro (2011) Why holes and electrons separate so well in polymer/fullerene photovoltaic cells. Journal of Physical Chemistry Letters, Vol.2 (No.21). pp. 2737-2741. doi:10.1021/jz201325g ISSN 1948-7185.

McMahon, David Paul, Cheung, David L., Goris, Ludwig, Dacuña, Javier, Salleo, Alberto and Troisi, Alessandro (2011) Relation between microstructure and charge transport in polymers of different regioregularity. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.39). pp. 19386-19393. doi:10.1021/jp207026s ISSN 1932-7447.

Cheung, David L. (2011) Molecular dynamics study of nanoparticle stability at liquid interfaces : effect of nanoparticle-solvent interaction and capillary waves. The Journal of Chemical Physics, Vol.135 (No.5). 054704. doi:10.1063/1.3618553 ISSN 0021-9606.

Liu, Tao, Cheung, David L. and Troisi, Alessandro (2011) Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells. Physical Chemistry Chemical Physics, Vol.13 (No.48). pp. 21461-21470. doi:10.1039/c1cp23084k ISSN 1463-9076.

Cheung, David L. and Troisi, Alessandro (2010) Theoretical study of the organic photovoltaic electron acceptor PCBM : morphology, electronic structure, and charge localization. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.114 (No.48). pp. 20479-20488. doi:10.1021/jp1049167 ISSN 1932-7447.

Cheung, David L. (2010) Molecular simulation of nanoparticle diffusion at fluid interfaces. Chemical Physics Letters, Vol.495 (No.1-3). pp. 55-59. doi:10.1016/j.cplett.2010.06.074 ISSN 0009-2614.

Hewlett-Packard Laboratories

Cheung, David L. and Schmidt, M. (Matthias) (2009) Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix. Journal of Chemical Physics, Vol.131 (No.21). p. 214705. doi:10.1063/1.3267728 ISSN 0021-9606.

Leverhulme Trust (LT)

McMahon, David Paul, Cheung, David L., Goris, Ludwig, Dacuña, Javier, Salleo, Alberto and Troisi, Alessandro (2011) Relation between microstructure and charge transport in polymers of different regioregularity. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.39). pp. 19386-19393. doi:10.1021/jp207026s ISSN 1932-7447.

Cheung, David L. (2011) Molecular dynamics study of nanoparticle stability at liquid interfaces : effect of nanoparticle-solvent interaction and capillary waves. The Journal of Chemical Physics, Vol.135 (No.5). 054704. doi:10.1063/1.3618553 ISSN 0021-9606.

Fortuna, S. (Sara), Cheung, David L. and Troisi, Alessandro (2010) Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. Journal of Physical Chemistry B, Vol.114 (No.5). pp. 1849-1858. doi:10.1021/jp9098649 ISSN 1520-6106.

University of Manchester. Manchester Computing

O'Brien, Paul A. C., Allen, M. P., Cheung, David L., Dennison, M. (Matthew) and Masters, Andrew J. (2008) Elastic constants of hard thin platelets by Monte Carlo simulation and virial expansion. Physical Review E, Vol.78 (No.5). 051705. doi:10.1103/PhysRevE.78.051705 ISSN 1539-3755.

Cheung, David L., Anton, Lucian, Allen, M. P., Masters, Andrew J., Phillips, J. (Jonathan) and Schmidt, M. (Matthias) (2008) Structure and stability of isotropic states of hard platelet fluids. Physical Review E, Vol.78 (No.4). 041201. doi:10.1103/PhysRevE.78.041201 ISSN 1539-3755.

University of Warwick

Cheung, David L. (2011) Molecular dynamics study of nanoparticle stability at liquid interfaces : effect of nanoparticle-solvent interaction and capillary waves. The Journal of Chemical Physics, Vol.135 (No.5). 054704. doi:10.1063/1.3618553 ISSN 0021-9606.

O'Brien, Paul A. C., Allen, M. P., Cheung, David L., Dennison, M. (Matthew) and Masters, Andrew J. (2008) Elastic constants of hard thin platelets by Monte Carlo simulation and virial expansion. Physical Review E, Vol.78 (No.5). 051705. doi:10.1103/PhysRevE.78.051705 ISSN 1539-3755.

University of Warwick. Centre for Scientific Computing

Cheung, David L., McMahon, David Paul and Troisi, Alessandro (2009) Computational study of the structure and charge-transfer parameters in low-molecular-mass P3HT. Journal of Physical Chemistry B, Vol.113 (No.28). pp. 9393-9401. doi:10.1021/jp904057m ISSN 1520-6106.

Cheung, David L., Anton, Lucian, Allen, M. P., Masters, Andrew J., Phillips, J. (Jonathan) and Schmidt, M. (Matthias) (2008) Structure and stability of isotropic states of hard platelet fluids. Physical Review E, Vol.78 (No.4). 041201. doi:10.1103/PhysRevE.78.041201 ISSN 1539-3755.