Prof. Timothy Schmidt | ARC Centre of Excellence in Exciton Science

Prof. Timothy Schmidt

Chief Investigator

Schmidt is a molecular spectroscopist who has specialised in the development of world leading upconverter systems for energy harvesting. This is a core platform for the Centre. He also coordinates with other Theme Leaders.

PhD in Chemistry, Churchill College, University of Cambridge, 2001
BSc (Hons), The University of Sydney, 1998


Journal Articles
Liu, Y.; Kilby, P.; Frankcombe, T. J.; Schmidt, T. W. The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction. Nature Communications 2020, 11, 1210 DOI: 10.1038/s41467-020-15039-9. doi: 10.1038/s41467-020-15039-9
Wang, D.; Malmberg, R.; Pernik, I.; Prasad, S. K. K.; Roemer, M.; Venkatesan, K.; Schmidt, T. W.; Keaveney, S. T.; Messerle, B. A. Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis. Chemical Science 2020, 11 (24), 6256 - 6267 DOI: 10.1039/D0SC02703K. doi: 10.1039/D0SC02703K
Günay, B.; Burton, M. G.; Afşar, M.; Schmidt, T. W. A method for mapping the aliphatic hydrocarbon content of interstellar dust towards the Galactic CentreABSTRACT. Monthly Notices of the Royal Astronomical Society 2020, 493 (1), 1109 - 1119 DOI: 10.1093/mnras/staa288. doi: 10.1093/mnras/staa288
Liu, Y.; Frankcombe, T. J.; Schmidt, T. W. Visualizing the 30-Dimensional Antisymmetrized Electronic Structure of Water: The Emergence of Lone Pairs. Journal of Physical Chemistry Letters 2020, 11 (3), 735 - 739 DOI: 10.1021/acs.jpclett.9b03528. doi: 10.1021/acs.jpclett.9b03528
Sabatini, R. P.; Maasoumi, F.; Prasad, S. K. K.; Zhang, B.; Clark, C.; Schmidt, T. W.; Wong, W.; Lakhwani, G. Organic polariton lasing with molecularly isolated perylene diimides. Applied Physics Letters 2020, 117 (4), 041103 DOI: 10.1063/5.0012461. doi: 10.1063/5.0012461
Liu, Y.; Frankcombe, T. J.; Schmidt, T. W. Electronic Wavefunction Tiles. Australian Journal of Chemistry 2020, 73 (8), 757-766 DOI: 10.1071/CH19517. doi: 10.1071/CH19517
Gholizadeh, E. M.; Prasad, S. K. K.; Teh, Z. Li; Ishwara, T.; Norman, S.; Petty, A. J.; Cole, J. H.; Cheong, S.; Tilley, R. D.; Anthony, J. E.; et al. Photochemical upconversion of near-infrared light from below the silicon bandgap. Nature Photonics 2020, 14 (9), 585 DOI: 10.1038/s41566-020-0664-3. doi: 10.1038/s41566-020-0664-3
Zhou, Y.; Castellano, F. N.; Schmidt, T. W.; Hanson, K. On the Quantum Yield of Photon Upconversion via Triplet–Triplet Annihilation. ACS Energy Letters 2020, 5 (7), 2322 - 2326 DOI: 10.1021/acsenergylett.0c01150. doi: 10.1021/acsenergylett.0c01150
Liu, Y.; Kilby, P.; Frankcombe, T. J.; Schmidt, T. W. Electronic transitions of molecules: vibrating Lewis structures. Chemical Science 2019, 10 (28), 6809-6814 DOI: 10.1039/C9SC02534K. doi: 10.1039/C9SC02534K
Krechkivska, O.; Wilcox, C. M.; Nauta, K.; Kable, S. H.; Schmidt, T. W. Quantum-Induced Symmetry Breaking in the Deuterated Dihydroanthracenyl Radical. The Journal of Physical Chemistry A 2019, 123 (31), 6711 - 6719 DOI: 10.1021/acs.jpca.9b04561. doi: 10.1021/acs.jpca.9b04561
Lyskov, I.; Trushin, E.; Baragiola, B. Q.; Schmidt, T. W.; Cole, J. H.; Russo, S. First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene). The Journal of Physical Chemistry C 2019, 123 (44), 26831 - 26841 DOI: 10.1021/acs.jpcc.9b08203. doi: 10.1021/acs.jpcc.9b08203
Gao, C.; Prasad, S. K. K.; Zhang, B.; Dvořák, M.; Tayebjee, M. J. Y.; McCamey, D. R.; Schmidt, T. W.; Smith, T. A.; Wong, W. Intramolecular Versus Intermolecular Triplet Fusion in Multichromophoric Photochemical Upconversion. The Journal of Physical Chemistry C 2019, 123 (33), 20181 - 20187 DOI: 10.1021/acs.jpcc.9b07098. doi: 10.1021/acs.jpcc.9b07098
Gorman, J.; Pandya, R.; Allardice, J. R.; Price, M. B.; Schmidt, T. W.; Friend, R. H.; Rao, A.; Davis, N. J. L. K. Excimer Formation in Carboxylic Acid-Functionalized Perylene Diimides Attached to Silicon Dioxide Nanoparticles. The Journal of Physical Chemistry C 2019, 123 (6), 3433 - 3440 DOI: 10.1021/acs.jpcc.8b12061. doi: 10.1021/acs.jpcc.8b12061
Jefferies, D.; Schmidt, T. W.; Frazer, L. Photochemical Upconversion Theory: Importance of Triplet Energy Levels and Triplet Quenching. Physical Review Applied 2019, 12 (2) DOI: 10.1103/PhysRevApplied.12.024023. doi: 10.1103/PhysRevApplied.12.024023
Schmidt, T. W. A Marcus-Hush perspective on adiabatic singlet fission. Journal of Chemical Physics 2019, 151 (5), 054305 DOI: 10.1063/1.5108669. doi: 10.1063/1.5108669
Stanley, J. N. G.; García-García, I.; Perfrement, T.; Lovell, E. C.; Schmidt, T. W.; Scott, J.; Amal, R. Plasmonic effects on CO2 reduction over bimetallic Ni-Au catalysts. Chemical Engineering Science 2019, 194, 94-104 DOI: 10.1016/j.ces.2018.04.003. doi: 10.1016/j.ces.2018.04.003
Price, M. B.; Paton, A.; Gorman, J.; Wagner, I.; Laufersky, G.; Chen, K.; Friend, R. H.; Schmidt, T. W.; Hodgkiss, J. M.; Davis, N. J. L. K. Inter-ligand energy transfer in dye chromophores attached to high bandgap SiO2 nanoparticles. Chemical Communications 2019, 55 (60), 8804-4407 DOI: 10.1039/C9CC03412A. doi: 10.1039/C9CC03412A
Wen, S.; Zhou, J.; P. Schuck, J.; Suh, Y. Doug; Schmidt, T. W.; Jin, D. Future and challenges for hybrid upconversion nanosystems. Nature Photonics 2019, 13 (12), 828 - 838 DOI: 10.1038/s41566-019-0528-x. doi: 10.1038/s41566-019-0528-x
von Reventlow, L. Graf; Bremer, M.; Ebenhoch, B.; Gerken, M.; Schmidt, T. W.; Colsmann, A. An add-on organic green-to-blue photon-upconversion layer for organic light emitting diodes. Journal of Materials Chemistry C 2018, 6 (15), 3845 - 3848 DOI: 10.1039/C7TC05649D. doi: 10.1039/C7TC05649D
Perrier, S.; D'Agosto, F.; Zhang, J.; Hill, N. S.; Lalevée, J.; Fouassier, J. - P.; Zhao, J.; Graff, B.; Schmidt, T. W.; Kable, S. H.; et al. Multihydroxy-Anthraquinone Derivatives as Free Radical and Cationic Photoinitiators of Various Photopolymerizations under Green LED. Macromolecular Rapid Communications 2018, 39 (19), 1800172 DOI: 10.1002/marc.201800172. doi: 10.1002/marc.201800172
Tayebjee, M. J. Y.; Rao, A.; Schmidt, T. W. All-optical augmentation of solar cells using a combination of up- and downconversion. Journal of Photonics for Energy 2018, 8 (2), 022007 DOI: 10.1117/1.JPE.8.022007. doi: 10.1117/1.JPE.8.022007
Yasarapudi, V. B.; Frazer, L.; Webb, J. E. A.; Gallaher, J. K.; Macmillan, A.; Falber, A.; Thordarson, P.; Schmidt, T. W. Competing Energy Transfer Pathways in a Five-Chromophore Perylene Array. The Journal of Physical Chemistry C 2018, 122 (25), 13937 - 13943 DOI: 10.1021/acs.jpcc.8b01084. doi: 10.1021/acs.jpcc.8b01084
Schmidt, T. W.; MacQueen, R. W.; Tayebjee, M. J. Y.; Castellano, F. N. Spectral Management for Renewable Energy Conversion. Journal of Photonics for Energy 2018, 8 (2), 022001 DOI: 10.1117/1.JPE.8.022001. doi: 10.1117/1.JPE.8.022001
Günay, B.; Schmidt, T. W.; Burton, M. G.; Afşar, M.; Krechkivska, O.; Nauta, K.; Kable, S. H.; Rawal, A. Aliphatic hydrocarbon content of interstellar dust. Monthly Notices of the Royal Astronomical Society 2018, 479 (4), 4336 - 4344 DOI: 10.1093/mnras/sty1582. doi: 10.1093/mnras/sty1582
Dover, C. B.; Gallaher, J. K.; Frazer, L.; Tapping, P. C.; Petty, A. J.; Crossley, M. J.; Anthony, J. E.; Kee, T. W.; Schmidt, T. W. Endothermic singlet fission is hindered by excimer formation. Nature Chemistry 2018, 10 (3), 305 - 310 DOI: 10.1038/nchem.2926. doi: 10.1038/nchem.2926
Gholizadeh, E. M.; Frazer, L.; MacQueen, R. W.; Gallaher, J. K.; Schmidt, T. W. Photochemical upconversion is suppressed by high concentrations of molecular sensitizers. Physical Chemistry Chemical Physics 2018, 20 (29), 19500 - 19506 DOI: 10.1039/C8CP02650E. doi: 10.1039/C8CP02650E
Wilcox, C. M.; Krechkivska, O.; Nauta, K.; Schmidt, T. W.; Kable, S. H. Jet-Cooled Spectroscopy of ortho-Hydroxycyclohexadienyl Radicals. The Journal of Physical Chemistry A 2018, 122 (45), 8886 - 8897 DOI: 10.1021/acs.jpca.8b07603. doi: 10.1021/acs.jpca.8b07603
Yasarapudi, V. B.; Frazer, L.; Davis, N. J. L. K.; Booker, E. P.; Macmillan, A.; Gallaher, J. K.; Roberts, D.; Perrier, S.; Schmidt, T. W. Optimization of energy transfer in a polymer composite with perylene chromophores. Journal of Materials Chemistry C 2018, 6 (27), 7333 - 7342 DOI: 10.1039/C8TC02457J. doi: 10.1039/C8TC02457J
MacQueen, R. W.; Liebhaber, M.; Niederhausen, J.; Mews, M.; Gersmann, C.; Jäckle, S.; Jäger, K.; Tayebjee, M. J. Y.; Schmidt, T. W.; Rech, B.; et al. Crystalline silicon solar cells with tetracene interlayers: the path to silicon-singlet fission heterojunction devices. Materials Horizons 2018, 5 (6), 1065 - 1075 DOI: 10.1039/C8MH00853A. doi: 10.1039/C8MH00853A
Pun, J. Ka Hei; Gallaher, J. K.; Frazer, L.; Prasad, S. K. K.; Dover, C. B.; MacQueen, R. W.; Schmidt, T. W. TIPS-anthracene: a singlet fission or triplet fusion material?. Journal of Photonics for Energy 2018, 8 (2), 022006 DOI: 10.1117/1.JPE.8.022006. doi: 10.1117/1.JPE.8.022006
Liu, Y.; Kilby, P.; Frankcombe, T. J.; Schmidt, T. W. Calculating curly arrows from ab initio wavefunctions. Nature Communications 2018, 9, 1436 DOI: 10.1038/s41467-018-03860-2. doi: 10.1038/s41467-018-03860-2
Reilly, N. J.; da Silva, G.; Wilcox, C. M.; Ge, Z.; Kokkin, D. L.; Troy, T. P.; Nauta, K.; Kable, S. H.; McCarthy, M. C.; Schmidt, T. W. Interconversion of Methyltropyl and Xylyl Radicals: A Pathway Unavailable to the Benzyl–Tropyl Rearrangement. The Journal of Physical Chemistry A 2018, 122 (5), 1261 - 1269 DOI: 10.1021/acs.jpca.7b11914. doi: 10.1021/acs.jpca.7b11914
McVey, B. F. P.; O’Mara, P. B.; McGrath, A. J.; Faramus, A.; Yasarapudi, V. B.; Gonçales, V. R.; Tan, V. T. G.; Schmidt, T. W.; Gooding, J. J.; Tilley, R. D. Role of Surface Capping Molecule Polarity on the Optical Properties of Solution Synthesized Germanium Nanocrystals. Langmuir 2017, 33 (35), 8790 - 8798 DOI: 10.1021/acs.langmuir.7b01028. doi: 10.1021/acs.langmuir.7b01028
Frazer, L.; Gallaher, J. K.; Schmidt, T. W. Optimizing the Efficiency of Solar Photon Upconversion. ACS Energy Letters 2017, 2 (6), 1346 - 1354 DOI: 10.1021/acsenergylett.7b00237. doi: 10.1021/acsenergylett.7b00237