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Journal Articles
Book Chapters
Refereed Conference Papers

Journal Articles

Preprints 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 <2011


  1. Total synthesis of peshawaraquinone“, T. Vieira de Castro, D.M. Huang, C.J. Sumby, A.L. Lawrence, J.H. George, ChemRxiv (2022)


  1. Competing single-chain folding and multi-chain aggregation pathways control solution-phase aggregate morphology of organic semiconducting polymers“, B.J. Boehm, C.R. McNeill, D.M. Huang, Nanoscale (2022) doi: 10.1039/D2NR04750K [preprint]
  2. Surfactant effects on hydrogen evolution by small molecule non-fullerene acceptor nanoparticles“, A. Dolan, J.M. de la Perrelle, E.R. Milsom, T.D. Small, G.F. Metha, X. Pan, M.R. Andersson, D.M. Huang, T.W. Kee, ACS Applied Nano Materials 5, 12154–12164 (2022) [preprint]
  3. Red-light-mediated photocatalytic hydrogen evolution by hole transfer from non-fullerene acceptor Y6“, J.M. de la Perrelle, A. Dolan, E.R. Milsom, T.D. Small, G.F. Metha, X. Pan, M.R. Andersson, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry C 126, 14518–14528 (2022) [preprint]
  4. Pitfalls of quantifying intersystem crossing rates in singlet-fission chromophore solutions“, A.N. Stuart, P.C. Tapping, T.W. Kee, D.M. Huang, The Journal of Chemical Physics 157, 084312 (2022) [preprint]
  5. Intramolecular tricarbonyl-ene reactions and α-hydroxy-β-diketone rearrangements inspired by the biosynthesis of polycyclic polyprenylated acylphloroglucinols“, A.B. zur Bonsen, R.A. Peralta, T. Fallon, D.M. Huang, J.H. George, Angewandte Chemie International Edition 61, e202203311 (2022)
  6. Synthesis of triple-stranded diruthenium(II) compounds“, K.L. Flint, D.M. Huang, O. M. Linder-Patton, C.J. Sumby, F.R. Keene, European Journal of Inorganic Chemistry 2022, e202200225 (2022)
  7. Thermally activated delayed fluorescence poly(dendrimer)s – detrapping excitons for reverse intersystem crossing“, E.V. Puttock, C.S.K. Ranasinghe, M. Babazadeh, J.C.M. Kistemaker, J. Jang, M. Gao, D.M. Huang, C. Adachi, P.L. Burn, P.E. Shaw, Journal of Materials Chemistry C 10, 8109–8124 (2022)
  8. Systematic bottom-up molecular coarse-graining via force and torque matching using anistoropic particles“, H.T.L. Nguyen, D.M. Huang, The Journal of Chemical Physics, 156, 184118 (2022) [preprint]
  9. What next for singlet fission in photovoltaics? The fate of triplet and triplet-pair excitons“, R.J. Hudson, A.N. Stuart, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry C 126, 5369–5377 (2022)
  10. A simple predictor of interface orientation of fluids of anisotropic disk-like particles and its implications for organic semiconductors“, B.J. Boehm, D.M. Huang, Soft Matter 18, 1843–1857 (2022) [preprint]
  11. Dielectric constant engineering of organic semiconductors: effect of planarity and conjugation length“, W. Jiang, H. Jin, M. Babazadeh, A.S. Loch, A. Raynor, N. Mallo, D.M. Huang, X. Jiao, W.L. Tan, C.R. McNeill, P.L. Burn, P.E. Shaw, Advanced Functional Materials 32, 2104259 (2022)


  1. Nanoparticle–size–dependent singlet fission and exciton dynamics in amorphous TIPS-pentacene“, R.J. Hudson, A.N. Stuart, J.M. de la Perrelle, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry C 125, 21559–21570 (2021)
  2. A solution-processed bis-tridentate iridium(iii) complex-cored dendrimer for green OLEDs“, V. Pandit, J. Jang, M. Babazadeh, C.S.K. Ranasinghe, D.M. Huang, P.L. Burn, E.V. Puttock, Journal of Materials Chemistry C 9, 9545–9554 (2021)
  3. Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal–organic frameworks derived from s-block metals“, C.N. Coleman, P.C. Tapping, M.T. Huxley, T.W. Kee, D.M. Huang, C.J. Doonan, C.J. Sumby, CrystEngComm 23, 82–90 (2021)


  1. Solution-processed dendrimer-based TADF materials for deep-red OLEDs“, E.V. Puttock, C.S.K. Ranasinghe, M. Babazadeh, J. Jang, D.M. Huang, Y. Tsuchiya, C. Adachi, P.L. Burn, P.E Shaw, Macromolecules 53, 10375–10385 (2020)
  2. Pressure induced enlargement and ionic current rectification in symmetric nanopores“, S.J. Davis, M. Macha, A. Chernev, D.M. Huang, A. Radenovic, S. Marion, Nano Letters 20, 8089–8095 (2020) [preprint]
  3. Anisotropic triplet exciton diffusion in crystalline functionalized pentacene“, R.J. Hudson, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry C 124, 23541–23550 (2020)
  4. Organizing crystalline functionalized pentacene using periodicity of poly(vinyl alcohol)“, R.J. Hudson, J.M. de la Perrelle, R.D. Pensack, B. Kudisch, G.M. Scholes, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry Letters 11, 516–523 (2020)


  1. Entrance effects in concentration-gradient-driven flow through an ultrathin porous membrane“, D.J. Rankin, L. Bocquet, D.M. Huang, The Journal of Chemical Physics 151, 044705 (2019) [preprint]
  2. The interplay of interfaces, supramolecular assembly, and electronics in organic semiconductors“, B.J. Boehm, H.T.L. Nguyen, D.M. Huang, Journal of Physics: Condensed Matter 31, 423001 (2019)
  3. Waveshape distortion of high frequency acoustic waves in gas media“, H.A. Bennett, B.S. Cazzolato, D.M. Huang, A.C. Zander, Ultrasonics 96, 149–159 (2019)
  4. Calculating transition dipole moments of phosphorescent emitters for efficient organic light-emitting diodes“, M. Babazadeh, P.L. Burn, D.M. Huang, Physical Chemistry Chemical Physics 21, 9740–9746 (2019)
  5. Visible-light photoredox catalysis enables the biomimetic synthesis of nyingchinoids A, B, and D, and rasumatranin D“, J.D. Hart, L. Burchill, A.J. Day, C.G. Newton, C.J. Sumby, D.M. Huang, J.H. George, Angewandte Chemie International Edition 58, 2791–2974 (2019)
  6. Carbohydrates@MOFs“, E. Astria, M. Thonhofer, R. Ricco, W. Liang, A. Chemelli, A. Tarzia, K. Alt, C.E. Hagemeyer, J. Rattenberger, H. Schroettner, T. Wrodnigg, H. Amenitsch, D.M. Huang, C.J. Doonan, P. Falcaro, Materials Horizons 6, 969–977 (2019)
  7. Controlling the efficiency of singlet fission in TIPS-pentacene/polymer composite nanoparticles“, A.N. Stuart, P.C. Tapping, E. Schrefl, D.M. Huang, T.W. Kee, The Journal of Physical Chemistry C 23, 5813–5821 (2019)
  8. Enhanced activity of enzymes encapsulated in hydrophilic metal–organic frameworks“, W. Liang, H. Xu, F. Carraro, N.K. Maddigan, Q. Li, S.G. Bell, D.M. Huang, A. Tarzia, M.B. Solomon, H. Amenitsch, L. Vaccari, C.J. Sumby, P. Falcaro, C.J. Doonan, Journal of the American Chemical Society 141, 2348–2355 (2019)


  1. Ion mobility-mass spectrometry reveals details of formation and structure for GAA·TCC DNA and RNA triplexes“, J. Li, A. Begbie, B.J. Boehm, A. Button, C. Whidborne, Y. Pouferis, D.M. Huang, T.L. Pulaka, Journal of the American Society for Mass Spectrometry 30, 103–112 (2019)
  2. High-throughput screening of metal–organic frameworks for macroscale heteroepitaxial alignment“, A. Tarzia, M. Takahashi, P. Falcaro, A.W. Thornton, C.J. Doonan, D.M. Huang, ACS Applied Materials & Interfaces 10, 40938–40950 (2018) [preprint]
  3. Molecular dynamics simulations of acoustic absorption by a carbon nanotube“, M. Ayub, A.C. Zander, D.M. Huang, C.Q. Howard, B.S. Cazzolato, Physics of Fluids 30, 066101 (2018)
  4. DNA triplex structure, thermodynamics, and destabilisation: insight from molecular simulations“, B.J. Boehm, C. Whidborne, A.L. Button, T.L. Pukala, D.M. Huang, Physical Chemistry Chemical Physics 20, 14013–14023 (2018)
  5. Protecting-group-free site-selective reactions in a metal–organic framework reaction vessel“, M.T. Huxley, A. Burgun, H. Ghodrati, C.J. Coghlan, A. Lemieux, N.R. Champness, D.M. Huang, C.J. Doonan, C.J. Sumby, Journal of the American Chemical Society 140, 6416–6425 (2018)
  6. Protein surface functionalisation as a general strategy for facilitating biomimetic mineralisation of ZIF-8“, N. Maddigan, A. Tarzia, D.M. Huang, C.J. Sumby, S.G. Bell, P. Falcaro, C.J. Doonan, Chemical Science 9, 4217–4223 (2018)
  7. Molecular dynamics simulations of classical sound absorption in a monoatomic gas“, M. Ayub, A.C. Zander, D.M. Huang, B.S. Cazzolato, C.Q. Howard, Journal of Sound and Vibration 421, 319–333 (2018)


  1. The molecular origin of anisotropic emission in an organic light-emitting diode“, T. Lee, B. Caron, M. Stroet, D.M. Huang, P.L. Burn, A.E. Mark, Nano Letters 17, 6464–6468 (2017)
  2. Molecular insight into assembly mechanisms of porous aromatic frameworks“, A. Tarzia, A.W. Thornton, C.J. Doonan, D.M. Huang, The Journal of Physical Chemistry C 121, 16381–16392 (2017)
  3. A unifying paradigm for naphthoquinone-based meroterpenoid (bio)synthesis“, Z.D. Miles, S. Diethelm, H.P. Pepper, D.M. Huang, J.H. George, B.S. Moore, Nature Chemistry 9, 1235–1242 (2017)
  4. Quantitative measurements of the temperature-dependent microscopic and macroscopic dynamics of a molecular dopant in a conjugated polymer“, J. Li, C. Koshnick, S.O. Diallo, S. Ackling, D.M. Huang, I.E. Jacobs, T. Harrelson, K. Hong, G. Zhang, J. Beckett, M. Mascal, A.J. Moulé, Macromolecules 50, 5476−5489 (2017)
  5. Normal incidence acoustic absorption characteristics of a carbon nanotube forest“, M. Ayub, A.C. Zander, C.Q. Howard, B.S. Cazzolato, D.M. Huang, V.N. Shanov, N.T. Alvarez, Applied Acoustics 127, 223–239 (2017)
  6. Mapping out catalytic processes in a metal-organic framework with single crystal x-ray crystallography“, A. Burgun, C.J. Coghlan, D.M. Huang, W. Chen. S. Horike, S. Kitagawa, J.F. Alvino, G.F. Metha, C.J. Sumby, C.J. Doonan, Angewandte Chemie International Edition 56, 8412–8416 (2017)


  1. Optical dedoping mechanism for P3HT:F4TCNQ mixtures“, J. Fuzell, I.E. Jacobs, S. Ackling, T.F. Harrelson, D.M. Huang, D. Larsen, A.J. Moulé, The Journal of Physical Chemistry Letters 7, 4297–4303 (2016)
  2. Comment on ‘Magnetic field effects on singlet fission and fluorescence decay dynamics in amorphous rubrene’“, P.C. Tapping, D.M. Huang, The Journal of Physical Chemistry C 120, 25151–25157 (2016)
  3. Endohedrally functionalised porous organic cages“, A. Burgun, P. Valente, J.D. Evans, D.M. Huang, C.J. Sumby, C.J. Doonan, Chemical Communications 52, 8850–8853 (2016)
  4. The effect of hydrodynamic slip on membrane-based salinity-gradient-driven energy harvesting“, D.J. Rankin, D.M. Huang, Langmuir 32, 3420–3432 (2016)
  5. Computational identification of organic porous molecular crystals“, J.D. Evans, D.M. Huang, M. Haranczyk, A.W. Thornton, C.J. Sumby, C.J. Doonan, CrystEngComm 18, 4133-4141 (2016)
  6. Relating molecular morphology to charge mobility in semicrystalline conjugated polymers“, M.L. Jones, D.M. Huang, B. Chakrabarti, C. Groves, The Journal of Physical Chemistry C 120, 4240–4250 (2016)


  1. Guided inquiry learning in an introductory chemistry course“, N.W. Williamson, D.M. Huang, S.G. Bell, G.F. Metha, International Journal of Innovation in Science and Mathematics Education 23, 34–51 (2015)
  2. Molecular dynamics simulations of sound wave propagation in a gas and thermo-acoustic effects on a carbon nanotube“, M. Ayub, A.C. Zander, C.Q. Howard, D.M. Huang, B.S. Cazzolato, Journal of Computational Acoustics 23, 1540012 (2015)
  3. Molecular design of amorphous porous cages for enhanced gas storage“, J.D. Evans, D.M. Huang, M.R. Hill, C.J. Sumby, D.S. Sholl, A.W. Thornton, C.J. Doonan, The Journal of Physical Chemistry C 119, 7746–7754 (2015)
  4. Molecular-level details of morphology-dependent exciton migration in poly(3-hexylthiophene) nanostructures“, P.C. Tapping, S.N. Clafton, K.N. Schwarz, T.W. Kee, D.M. Huang, The Journal of Physical Chemistry C119, 7047–7059 (2015)
  5. Protected DNA strand displacement for enhanced single nucleotide discrimination in double-stranded DNA“, D.A. Khodakov, A.S. Khodakova, D.M. Huang, A. Linacre, A.V. Ellis, Scientific Reports 5, 8721 (2015)


  1. Computational study of P3HT/C60-fullerene miscibility“, D.M. Huang, Australian Journal of Chemistry 67, 585–591 (2014)
  2. Feasibility of mixed matrix membrane gas separations employing porous organic cages“, J.D. Evans, D.M. Huang, M.R. Hill, C.J. Sumby, A.W. Thornton, C.J. Doonan, The Journal of Physical Chemistry C 118, 1523–1529 (2014)


  1. Molecular basis of binding and stability in diamide-linked γ-cyclodextrin dimers“, S.J. Wallace, T.W. Kee, D.M. Huang, The Journal of Physical Chemistry B 117, 12375–12382 (2013)
  2. Light-driven transformation processes of anisotropic silver nanoparticles“, G.P. Lee, Y.C. Shi, E. Lavoie, T. Daeneke, P. Reineck, U.B. Cappel, D.M. Huang, U. Bach, ACS Nano 7, 5911–5921 (2013)
  3. Femtosecond dynamics of excitons and hole-polarons in composite P3HT/PCBM nanoparticles“, S.N. Clafton, D.M. Huang, W.R. Massey, T.W. Kee, The Journal of Physical Chemistry B 117, 4626–4633 (2013)
  4. Self-assembly of selective interfaces in organic photovoltaics“, S.A. Mauger, L. Chang, S. Friedrich, C.W. Rochester, D.M. Huang, P. Wang, A.J. Moulé, Advanced Functional Materials 23, 1935–1946 (2013)
  5. Coarse-grained simulations of the solution-phase self-assembly of poly(3-hexylthiophene) nanostructures“, K.N. Schwarz, T.W. Kee, D.M. Huang, Nanoscale 5, 2017–2027 (2013)


  1. Electrochemical and computational studies on intramolecular dissociative electron transfer in β-peptides”, J.X. Yu, D.M. Huang, J.G. Shapter, A.D. Abell, The Journal of Physical Chemistry C 116, 26608–26617 (2012)
  2. Molecular shape and the energetics of chemisorption: from simple to complex energy landscapes“, D.M. Huang, P. Harrowell, Physical Review E 86, 011606 (2012) [preprint]
  3. Coarse-grained simulations of the effects of chain length, solvent quality, and chemical defects on the solution-phase morphology of MEH-PPV conjugated polymers “, M. Chiu, T.W. Kee, D.M. Huang, Australian Journal of Chemistry 65, 463–471 (2012)
  4. Electron transfer through α-peptides attached to vertically aligned carbon nanotube arrays: a mechanistic transition“, J.X. Yu, O. Zvarec, D.M. Huang, M.A. Bissett, D.B. Scanlon, J.G. Shapter, A.D. Abell, Chemical Communications 48, 1132–1134 (2012)


  1. The consequences of interface mixing for organic photovoltaic device characteristics“, D.M. Huang, S.A. Mauger, S. Friedrich, S.J. George, D. Dumitriu-LaGrange, S. Yoon, A.J. Moulé, Advanced Functional Materials 21, 1657–1665 (2011)
  2. Controlling adsorbate diffusion on high-symmetry surfaces through molecular shape selection“, D.M. Huang, P. Harrowell, The Journal of Physical Chemistry C 115, 9526–9534 (2011)
  3. Characterization of polymer-fullerene mixtures for organic photovoltaics by systematically coarse-grained molecular simulations“, D.M. Huang, A.J. Moulé, R. Faller, Fluid Phase Equilibria 302, 21–25 (2011)


  1. A comparative MD study of the local structure of polymer semiconductors P3HT and PBTTT“, K. Do, D.M. Huang, R. Faller, A.J. Moulé, Physical Chemistry Chemical Physics 12, 14735–14739 (2010)
  2. Coarse-grained computer simulations of polymer/fullerene bulk heterojunctions for organic photovoltaic applications“, D.M. Huang, R. Faller, K. Do, A.J. Moulé, The Journal of Chemical Theory and Computation 6, 526–537 (2010)
  3. Optical description of solid-state dye-sensitized solar cells. II. Device optical modeling with implications for improving efficiency“, D.M. Huang, H.J. Snaith, M. Grätzel, K. Meerholz, A.J. Moulé, Journal of Applied Physics 106, 073112 (2009)
  4. Optical description of solid-state dye-sensitized solar cells. I. Measurement of layer optical properties“, A.J. Moulé, H.J. Snaith, M. Kaiser, H. Klesper, D.M. Huang, M. Grätzel, K. Meerholz, Journal of Applied Physics 106, 073111 (2009)
  5. An optical spacer is no panacea for light collection in organic solar cells“, B.V. Andersson, D.M. Huang, A.J. Moulé, O. Ingänas, Applied Physics Letters 94, 043302 (2009)
  6. Water slippage versus contact angle: a quasiuniversal relationship“, D.M. Huang, C. Sendner, D. Horinek, R.R. Netz, L. Bocquet, Physical Review Letters 101, 226101 (2008)
  7. Massive amplification of surface-induced transport at superhydrophobic surfaces“, D.M. Huang, C. Cottin-Bizonne, C. Ybert, L. Bocquet, Physical Review Letters 101, 064503 (2008)
  8. Aqueous electrolytes near hydrophobic surfaces: dynamic effects of ion specificity and hydrodynamic slip“, D.M. Huang, C. Cottin-Bizonne, C. Ybert, L. Bocquet, Langmuir 24, 1442–1450 (2008)
  9. Ion-specific anomalous electrokinetic effects in hydrophobic nanochannels“, D.M. Huang, C. Cottin-Bizonne, C. Ybert, and L. Bocquet, Physical Review Letters 98, 177801 (2007) [preprint]
  10. A random walk through the dynamics of homogeneous vapor-liquid nucleation“, D.M. Huang, P. Attard, The Journal of Chemical Physics 122, 174503 (2005) 
  11. The hydrophobic effect and the influence of solute-solvent attractions“, D.M. Huang, D. Chandler, The Journal of Physical Chemistry B 106, 2047–2053 (2002)
  12. Scaling of hydrophobic solvation free energies“, D.M. Huang, P.L. Geissler, D. Chandler, The Journal of Physical Chemistry B 105, 6704–6709 (2001)
  13. Ab initio calculation of the rate coefficient for short-chain branching in free-radical polymerizations“, J.S-S. Toh, D.M. Huang, P.A. Lovell, R.G. Gilbert, Polymer 42, 1915–1920 (2001)
  14. Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding“, D.M. Huang, D. Chandler, Proceedings of the National Academy of Sciences USA 97, 8324-8327 (2000)
  15. Cavity formation and the drying transition in the Lennard-Jones fluid“, D.M. Huang, D. Chandler, Physical Review E 61, 1501–1506 (2000)
  16. A theoretical study of propagation rate coefficients for methacrylonitrile and acrylonitrile“, D.M. Huang, M.J. Monteiro, R.G. Gilbert, Macromolecules 31, 5175–5187 (1998)

Book Chapters

  1. Multi-scale modeling of bulk heterojunctions for organic photovoltaic applications“, V. Dantanarayana, D.M. Huang, J. A. Staton, A.J. Moulé, R. Faller, in Third Generation Photovoltaics, V. Fthenakis, Ed. (Intech, Rijeka, 2012), chap. 2, pp. 29–60
  2. Molecular views of electrokinetic phenomena“, D.M. Huang, L. Joly, C. Cottin-Bizonne, C. Ybert, E. Trizac, L. Bocquet, in Surface Electrical Phenomena in Membranes and Microchannels, A. Szymczyk (Research Signpost, Trivandrum, 2008), chap. 12, pp. 255–273 

Refereed Conference Papers

  1. Acoustics at the Nanoscale“, A. Zander, M. Ayub, B. Cazzolato, C. Howard, M.J. Nine, D. Losic, D. Huang, D. Tran, H. Bennett, in Acoustics 2018: Hear to Listen – Proceedings of the Annual Conference of the Australian Acoustical Society (6–9 November 2018, Adelaide, Australia)
  2. Acoustic absorption behaviour of a tall carbon nanotube forest“, M. Ayub, A.C. Zander, C.Q. Howard, B.S. Cazzolato, D.M. Huang, N.T. Alvarez, V.N. Shanov, in Proceedings of Acoustics2016 – The Second Australasian Acoustical Societies Conference, edited by I.D.M. Hillock, D.J. Mee (9–11 November 2016, Brisbane, Australia)
  3. Speedup techniques for molecular dynamics simulations of the interaction of acoustic waves and nanomaterials“, H.A. Bennett, A.C. Zander, B.S. Cazzolato, D.M. Huang, in MODSIM2015, 21st International Congress on Modelling and Simulation, edited by T. Weber, M.J. McPhee, R.S. Anderssen, Modelling and Simulation Society of Australia and New Zealand (29 November – 4 December 2015, Gold Coast, Australia), pp. 655–661
  4. Acoustic absorption behaviour of carbon nanotube arrays“, M. Ayub, A.C. Zander, C.Q. Howard, B.S. Cazzolato, V.N. Shanov, N.T. Alvarez, D.M. Huang, in Internoise 2014: Proceedings of the 43rd International Congress on Noise Control Engineering, edited by J. Davy, C. Don, T. McMinn, L. Dowsett, N. Broner, M. Burgess (16–19 November 2014, Melbourne, Australia)
  5. A review of MD simulations of acoustic absorption mechanisms at the nanoscale“, M. Ayub, A.C. Zander, C.Q. Howard, B.S. Cazzolato, D.M. Huang, in Acoustics 2013 Victor Harbour: Proceedings of the Annual Conference of the Australian Acoustical Society, edited by T. McMinn (17–20 November 2013, Victor Harbour, Australia)