Citation information

These citation statistics are calculated for all papers listed below.

All Since 2016
Citations 4502 2896
h-index 28 19
i10-index 54 34

All publications in chronological order

1. Zhou, Y., Long, G., Li, A., Gray-Weale, A., Chen, Y. & Yan, T. Correction: Towards predicting the power conversion efficiencies of organic solar cells from donor and acceptor molecule structures. Journal of Materials Chemistry C 8, 1475–1476 (2020).

2. Zhou, Y., Long, G., Li, A., Gray-Weale, A., Chen, Y. & Yan, T. Towards predicting the power conversion efficiencies of organic solar cells from donor and acceptor molecule structures. Journal of Materials Chemistry C 6, 3276–3287 (2018).

3. Zhou, Y., Huang, F., Cheng, Y.-B. & Gray-Weale, A. Numerical analysis of a hysteresis model in perovskite solar cells. Computational Materials Science 126, 22–28 (2017).

4. Zhang, X. & Gray-Weale, A. A. Local hydrodynamics of solvent near diffusing dendrimers: A test of the new stokes–einstein relation. Journal of Polymer Science Part B: Polymer Physics 55, 1380–1392 (2017).

5. Long, G., Shi, R., Zhou, Y., Li, A., Kan, B., Wu, W.-R., Jeng, U.-S., Xu, T., Yan, T., Zhang, M. & others. Molecular origin of donor-and acceptor-rich domain formation in bulk-heterojunction solar cells with an enhanced charge transport efficiency. The Journal of Physical Chemistry C 121, 5864–5870 (2017).

6. Zhou, Y. & Gray-Weale, A. A numerical model for charge transport and energy conversion of perovskite solar cells. Physical Chemistry Chemical Physics 18, 4476–4486 (2016).

7. Zhang, X., Tran, S. & Gray-Weale, A. Hydrodynamic drag on diffusing nanoparticles for size determination. The Journal of Physical Chemistry C 120, 21888–21896 (2016).

8. Liu, M., Jacob, A., Schmetterer, C., Masset, P. J., Hennet, L., Fischer, H. E., Kozaily, J., Jahn, S. & Gray-Weale, A. From atomic structure to excess entropy: A neutron diffraction and density functional theory study of cao- al2o3- sio2 melts. Journal of Physics: Condensed Matter 28, 135102 (2016).

9. Besford, Q. A., Liu, M. & Gray-Weale, A. Pair correlations that link the hydrophobic and hofmeister effects. Physical Chemistry Chemical Physics 18, 14949–14959 (2016).

10. Besford, Q. A., Zeng, X.-Y., Ye, J.-M. & Gray-Weale, A. Liver glycogen in type 2 diabetic mice is randomly branched as enlarged aggregates with blunted glucose release. Glycoconjugate journal 33, 41–51 (2016).

11. Besford, Q. A., Liu, M., Beattie, J. K. & Gray-Weale, A. The coalescence of polystyrene in correlated binary solvents. Journal of Polymer Science Part B: Polymer Physics 54, 948–955 (2016).

12. Zhou, Y., Huang, F., Cheng, Y.-B. & Gray-Weale, A. Photovoltaic performance and the energy landscape of ch 3 nh 3 pbi 3. Physical Chemistry Chemical Physics 17, 22604–22615 (2015).

13. Lu, I.-C., Chu, K. Y., Lin, C.-Y., Wu, S.-Y., Dyakov, Y. A., Chen, J.-L., Gray-Weale, A., Lee, Y.-T. & Ni, C.-K. Ion-to-neutral ratios and thermal proton transfer in matrix-assisted laser desorption/ionization. Journal of The American Society for Mass Spectrometry 26, 1242–1251 (2015).

14. Long, G., Zhou, Y., Jin, M., Kan, B., Zhao, Y., Gray-Weale, A., Jiang, D.-e., Chen, Y. & Zhang, Q. Theoretical investigation on two-dimensional non-traditional carbon materials employing three-membered ring and four-membered ring as building blocks. Carbon 95, 1033–1038 (2015).

15. Liu, M., Besford, Q. A., Mulvaney, T. & Gray-Weale, A. Order and correlation contributions to the entropy of hydrophobic solvation. The Journal of chemical physics 142, 114117 (2015).

16. Kuiper, M. J., Morton, C. J., Abraham, S. E. & Gray-Weale, A. The biological function of an insect antifreeze protein simulated by molecular dynamics. Elife 4, e05142 (2015).

17. Jacob, A., Schmetterer, C., Markus, T., Singheiser, L. & Gray-Weale, A. Thermodynamic description of fe-w phase diagram using dft and phonon calculations. Calphad 100, 371 (2015).

18. Jacob, A., Schmetterer, C., Singheiser, L., Gray-Weale, A., Hallstedt, B. & Watson, A. Modeling of fe–w phase diagram using first principles and phonons calculations. Calphad 50, 92–104 (2015).

19. Gray-Weale, A. & Masset, P. The effect of aluminium on the entropy of calcia-alumina-silica melts. in 2015-sustainable industrial processing summit 7, 133–134 (Flogen Star Outreach, 2015).

20. Gray-Weale, A. & Ni, C.-K. Comment on:‘Energetics and kinetics of thermal ionization models of maldi’ by richard knochenmuss. J. Am. Soc. Mass spectrom. 25, 1521–1527 (2014). Journal of The American Society for Mass Spectrometry 26, 2162–2166 (2015).

21. Xiao, M., Huang, F., Huang, W., Dkhissi, Y., Zhu, Y., Etheridge, J., Gray-Weale, A., Bach, U., Cheng, Y.-B. & Spiccia, L. A fast deposition-crystallization procedure for highly efficient lead iodide perovskite thin-film solar cells. Angewandte Chemie International Edition 53, 9898–9903 (2014).

22. Liu, M., Masset, P. & Gray-Weale, A. Solubility of sodium in sodium chloride: A density functional theory molecular dynamics study. Journal of The Electrochemical Society 161, E3042 (2014).

23. Jacob, A., Gray-Weale, A. & Masset, P. Molecular dynamics simulation of sio2 and sio2-cao mixtures. Molten Salts Chemistry and Technology 171–180 (2014).

24. Huang, F., Dkhissi, Y., Huang, W., Xiao, M., Benesperi, I., Rubanov, S., Zhu, Y., Lin, X., Jiang, L., Zhou, Y. & others. Gas-assisted preparation of lead iodide perovskite films consisting of a monolayer of single crystalline grains for high efficiency planar solar cells. Nano energy 10, 10–18 (2014).

25. Gray-Weale, A., Masset, P. & Lutzko, C. Determination of solvation free energy of dissolved actinides in molten salts. in 2014-sustainable industrial processing summit 6, 323–324 (Flogen Star Outreach, 2014).

26. Beattie, J. K., Djerdjev, A. M., Gray-Weale, A., Kallay, N., Lützenkirchen, J., Preočanin, T. & Selmani, A. PH and the surface tension of water. Journal of colloid and interface science 422, 54–57 (2014).

27. Tayebjee, M. J., Gray-Weale, A. A. & Schmidt, T. W. Thermodynamic limit of exciton fission solar cell efficiency. The Journal of Physical Chemistry Letters 3, 2749–2754 (2012).

28. Sullivan, M., Li, J., Li, C., Vilaplana, F., Zheng, L., Bowen, S., Gray-Weale, A., Stapleton, D. & Gilbert, R. Exploring the link between diabetes and glycogen structure. Australasian Medical Journal (Online) 5, 727 (2012).

29. Liu, M., Beattie, J. K. & Gray-Weale, A. The surface relaxation of water. The Journal of Physical Chemistry B 116, 8981–8988 (2012).

30. Gray-Weale, A. A., Krahl, J., Jacob, A. & Masset, P. J. Investigation of the effect the polarisability of dipoles on the local microstructures of molten slags using density functional theory molecular dynamics. in ECS meeting abstracts 2326 (IOP Publishing, 2012).

31. Besford, Q. A., Sullivan, M. A., Zheng, L., Gilbert, R. G., Stapleton, D. & Gray-Weale, A. The structure of cardiac glycogen in healthy mice. International journal of biological macromolecules 51, 887–891 (2012).

32. Beattie, J. K., Creux, P. & Gray-Weale, A. Sodium fluoride at the air/water interface. Australian Journal of Chemistry 64, 1580–1582 (2012).

33. Beattie, J. K. & Gray-Weale, A. Oil/water interface charged by hydroxide ions and deprotonated fatty acids: A comment. Angewandte Chemie 124, 13115–13116 (2012).

34. Sullivan, M. A., Li, J., Li, C., Vilaplana, F., Stapleton, D., Gray-Weale, A. A., Bowen, S., Zheng, L. & Gilbert, R. G. Molecular structural differences between type-2-diabetic and healthy glycogen. Biomacromolecules 12, 1983–1986 (2011).

35. Konkolewicz, D., Perrier, S., Stapleton, D. & Gray-Weale, A. Modeling highly branched structures: Description of the solution structures of dendrimers, polyglycerol, and glycogen. Journal of Polymer Science Part B: Polymer Physics 49, 1525–1538 (2011).

36. Konkolewicz, D., Gaillard, S., West, A. G., Cheng, Y. Y., Gray-Weale, A., Schmidt, T. W., Nolan, S. P. & Perrier, S. Luminescent hyperbranched polymers: Combining thiol-yne chemistry with gold-mediated c- h bond activation. Organometallics 30, 1315–1318 (2011).

37. Konkolewicz, D., Poon, C. K., Gray-Weale, A. & Perrier, S. Hyperbranched alternating block copolymers using thiol–yne chemistry: Materials with tuneable properties. Chemical Communications 47, 239–241 (2011).

38. Jacob, A., Masset, P. & Gray-Weale, A. Development of accurate models for the microstructure and properties of molten salts. in TMS symposium on computational thermodynamics and kinetics 1–8 (The Minerals, Metals & Materials Society, 2011).

39. Hahn, U., Setaro, F., Ragàs, X., Gray-Weale, A., Nonell, S. & Torres, T. Microenvironment-switchable singlet oxygen generation by axially-coordinated hydrophilic ruthenium phthalocyanine dendrimers. Physical Chemistry Chemical Physics 13, 3385–3393 (2011).

40. Gray-Weale, A., Masset, P. & Jacob, A. Development of accurate models for the microstructure and properties of mixed-oxide slags. Minerals, Metals and Materials Society/AIME, 420 Commonwealth Dr., P. O. Box 430 Warrendale PA 15086 United States.[np]. Feb (2011).

41. Sullivan, M. A., Vilaplana, F., Cave, R. A., Stapleton, D., Gray-Weale, A. A. & Gilbert, R. G. Nature of \(\alpha\) and \(\beta\) particles in glycogen using molecular size distributions. Biomacromolecules 11, 1094–1100 (2010).

42. Konkolewicz, D., Gray-Weale, A. & Perrier, S. The structure of randomly branched polymers synthesized by living radical methods. Polymer Chemistry 1, 1067–1077 (2010).

43. Konkolewicz, D., Gray-Weale, A. & Perrier, S. Describing the structure of a randomly hyperbranched polymer. Macromolecular theory and simulations 19, 219–227 (2010).

44. Hierold, J., Gray-Weale, A. & Lupton, D. Swollen-up molecules by fragmentation. Synfacts 2010, 1246–1246 (2010).

45. Hierold, J., Gray-Weale, A. & Lupton, D. W. A divergent synthesis of modular dendrimers via sequential c–c bond fragmentation thio-michael addition. Chemical communications 46, 6789–6791 (2010).

46. Gray-Weale, A. & Beattie, J. K. Reply to the ‘comment on ‘an explanation for the charge on water’s surface’’by r. Vácha, d. Horinek, r. Buchner, b. Winter and p. Jungwirth, phys. Chem. Chem. Phys., 2010, 12. Physical Chemistry Chemical Physics 12, 14364–14366 (2010).

47. Bucher, D., Gray-Weale, A. & Kuyucak, S. Ab initio study of water polarization in the hydration shell of aqueous hydroxide: Comparison between polarizable and nonpolarizable water models. Journal of chemical theory and computation 6, 2888–2895 (2010).

48. Ryu, J.-H., Drain, J., Kim, J. H., McGee, S., Gray-Weale, A., Waddington, L., Parker, G. J., Hargreaves, M., Yoo, S.-H. & Stapleton, D. Comparative structural analyses of purified glycogen particles from rat liver, human skeletal muscle and commercial preparations. International journal of biological macromolecules 45, 478–482 (2009).

49. Konkolewicz, D., Hawkett, B. S., Gray-Weale, A. & Perrier, S. RAFT polymerization kinetics: How long are the cross-terminating oligomers? Journal of Polymer Science Part A: Polymer Chemistry 47, 3455–3466 (2009).

50. Konkolewicz, D., Siauw, M., Gray-Weale, A., Hawkett, B. S. & Perrier, S. Obtaining kinetic information from the chain-length distribution of polymers produced by raft. The Journal of Physical Chemistry B 113, 7086–7094 (2009).

51. Konkolewicz, D., Gray-Weale, A. & Perrier, S. Hyperbranched polymers by thiol- yne chemistry: From small molecules to functional polymers. Journal of the American Chemical Society 131, 18075–18077 (2009).

52. Gray-Weale, A. & Beattie, J. K. Supplementary information: An explanation for the charge on water’s surface. (2009).

53. Gray-Weale, A. & Gilbert, R. G. General description of the structure of branched polymers. Journal of Polymer Science Part A: Polymer Chemistry 47, 3914–3930 (2009).

54. Gray-Weale, A. A., Cave, R. A. & Gilbert, R. G. Extracting physically useful information from multiple-detection size-separation data for starch. Biomacromolecules 10, 2708–2713 (2009).

55. Gray-Weale, A. & Beattie, J. K. An explanation for the charge on water’s surface. Physical Chemistry Chemical Physics 11, 10994–11005 (2009).

56. Gray-Weale, A. Correlations in the structure and dynamics of ionic liquids. Australian journal of chemistry 62, 288–297 (2009).

57. Gray-Weale, A. Comment on ‘behaviour of hydroxide at the water/vapor interface’[Chem. Phys. Lett. 474 (2009) 241]. Chemical Physics Letters 481, 22–24 (2009).

58. Brown, S. L., Konkolewicz, D., Gray-Weale, A., Motherwell, W. B. & Perrier, S. Searching for stars: Selective desulfurization and fluorescence spectroscopy as new tools in the search for cross termination side-products in raft polymerization. Australian journal of chemistry 62, 1533–1536 (2009).

59. Konkolewicz, D., Hawkett, B. S., Gray-Weale, A. & Perrier, S. RAFT polymerization kinetics: Combination of apparently conflicting models. Macromolecules 41, 6400–6412 (2008).

60. Konkolewicz, D., Thorn-Seshold, O. & Gray-Weale, A. Models for randomly hyperbranched polymers: Theory and simulation. The Journal of chemical physics 129, 054901 (2008).

61. Gilbert, R. G., Castignolles, P., Peate, J., Gaborieau, M. & Gray-Weale, A. A. AGFD 231-new size-exclusion methodology for the complete characterization of starch molecules. in ABSTRACTS of papers of the american chemical society 236, (AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2008).

62. Attard, P. & Gray–Weale, A. Statistical mechanical theory for steady state systems. VIII. General theory for a brownian particle driven by a time-and space-varying force. The Journal of chemical physics 128, 114509 (2008).

63. Watts, C. J., Gray-Weale, A. & Gilbert, R. G. Interpreting size-exclusion data for highly branched biopolymers by reverse monte carlo simulations. Biomacromolecules 8, 455–463 (2007).

64. Shekibi, Y., Gray-Weale, A., MacFarlane, D. R., Hill, A. J. & Forsyth, M. Nanoparticle enhanced conductivity in organic ionic plastic crystals: Space charge versus strain induced defect mechanism. The Journal of Physical Chemistry C 111, 11463–11468 (2007).

65. Konkolewicz, D., Taylor, J. W., Castignolles, P., Gray-Weale, A. & Gilbert, R. G. Toward a more general solution to the band-broadening problem in size separation of polymers. Macromolecules 40, 3477–3487 (2007).

66. Konkolewicz, D., Gilbert, R. G. & Gray-Weale, A. Randomly hyperbranched polymers. Physical Review Letters 98, 238301 (2007).

67. Konkolewicz, D., Gray-Weale, A. A. & Gilbert, R. G. Molecular weight distributions from size separation data for hyperbranched polymers. Journal of Polymer Science Part A: Polymer Chemistry 45, 3112–3115 (2007).

68. Gray-Weale, A. & Attard, P. Time correlations and the second entropy. The Journal of chemical physics 127, 044503 (2007).

69. Gray-Weale, A. Screening and strain in superionic conductors. Faraday discussions 134, 297–313 (2007).

70. Gaborieau, M., Gilbert, R. G., Gray-Weale, A., Hernandez, J. M. & Castignolles, P. Theory of multiple-detection size-exclusion chromatography of complex branched polymers. Macromolecular theory and simulations 16, 13–28 (2007).

71. Baştuğ, T., Gray-Weale, A., Patra, S. M. & Kuyucak, S. Role of protein flexibility in ion permeation: A case study in gramicidin a. Biophysical journal 90, 2285–2296 (2006).

72. Gray-Weale, A. & Madden, P. A. The energy landscape of a fluorite-structured superionic conductor. The Journal of Physical Chemistry B 108, 6634–6642 (2004).

73. Gray-Weale, A. & Madden, P. A. Dynamical arrest in superionic crystals and supercooled liquids. The Journal of Physical Chemistry B 108, 6624–6633 (2004).

74. Gray-Weale, A. & Madden, P. A. Theoretical calculation of the structure of a polarizable-ionic fluid. Molecular Physics 101, 1761–1779 (2003).

75. Gray-Weale, A., Madden, P. A. & Wilson, M. Induced-dipole contributions to the conductivity and dielectric response of molten zncl 2. The Journal of Chemical Physics 113, 6782–6787 (2000).

76. Gray-Weale, A. A., Henchman, R. H., Gilbert, R. G., Greenfield, M. L. & Theodorou, D. N. Transition-state theory model for the diffusion coefficients of small penetrants in glassy polymers. Macromolecules 30, 7296–7306 (1997).