By Professor Timothy Schmidt

Journal articles

Borsovszky J; Nauta K; Jiang J; Hansen CS; McKemmish LK; Field RW; Stanton JF; Kable SH; Schmidt TW, 2021, 'Photodissociation of dicarbon: How nature breaks an unusual multiple bond', Proceedings of the National Academy of Sciences of the United States of America, 118, http://dx.doi.org/10.1073/pnas.2113315118

Wimberger L; Prasad SKK; Peeks MD; Andreásson J; Schmidt TW; Beves JE, 2021, 'Large, Tunable, and Reversible pH Changes by Merocyanine Photoacids', Journal of the American Chemical Society, 143, pp. 20758 - 20768, http://dx.doi.org/10.1021/jacs.1c08810

Hamzawy S; Wagner P; Gallaher JK; Schmidt TW; Mozer AJ; Nattestad A, 2021, 'Optical analysis of an integrated solar cell and a photon up converter, providing guidance for future device engineering efforts', Journal of Applied Physics, 130, http://dx.doi.org/10.1063/5.0072034

Laws BA; Levey ZD; Schmidt TW; Gibson ST, 2021, 'Velocity Map Imaging Spectroscopy of the Dipole-Bound State of CH2CN–: Implications for the Diffuse Interstellar Bands', Journal of the American Chemical Society, 143, pp. 18684 - 18692, http://dx.doi.org/10.1021/jacs.1c08762

Nienhaus L; Schmidt TW, 2021, 'Comment on "tremendously enhanced photocurrent enabled by triplet-triplet annihilation up-conversion for high-performance perovskite solar cells" by W. Sheng, J. Yang, X. Li, G. Liu, Z. Lin, J. Long, S. Xiao, L. Tan and Y. Chen, Energy Environ. Sci., 2021, 14, 3532', Energy and Environmental Science, 14, pp. 6050 - 6052, http://dx.doi.org/10.1039/d1ee01446c

Gholizadeh EM; Prasad SKK; Gillan LV; Nielsen MP; Ekins-Daukes NJ; McCamey DR; Tayebjee MJY; Schmidt TW, 2021, 'Singlet and Triplet Exciton Dynamics of Violanthrone', Journal of Physical Chemistry C, 125, pp. 22464 - 22471, http://dx.doi.org/10.1021/acs.jpcc.1c06848

Li Y; Sabatini RP; Prasad SKK; Hockings ET; Schmidt TW; Lakhwani G, 2021, 'Improved optical confinement in ambipolar field-effect transistors toward electrical injection organic lasers', Applied Physics Letters, 119, http://dx.doi.org/10.1063/5.0063336

Gallaher JK; Wright KM; Frazer L; Macqueen RW; Crossley MJ; Castellano FN; Schmidt TW, 2021, 'High efficiency deep red to yellow photochemical upconversion under solar irradiance', Energy and Environmental Science, 14, pp. 5541 - 5551, http://dx.doi.org/10.1039/d1ee02197d

Dvořák M; Prasad SKK; Dover CB; Forest CR; Kaleem A; Macqueen RW; Petty AJ; Forecast R; Beves JE; Anthony JE; Tayebjee MJY; Widmer-Cooper A; Thordarson P; Schmidt TW, 2021, 'Singlet Fission in Concentrated TIPS-Pentacene Solutions: The Role of Excimers and Aggregates', Journal of the American Chemical Society, 143, pp. 13749 - 13758, http://dx.doi.org/10.1021/jacs.1c05767

Jiang Y; Nielsen MP; Baldacchino AJ; Green MA; McCamey DR; Tayebjee MJY; Schmidt TW; Ekins-Daukes NJ; Jiang JY, 2021, 'Singlet fission and tandem solar cells reduce thermal degradation and enhance lifespan', Progress in Photovoltaics Research and Applications, 29, pp. 899 - 906, http://dx.doi.org/10.1002/pip.3405

Beery D; Schmidt TW; Hanson K, 2021, 'Harnessing Sunlight via Molecular Photon Upconversion', ACS Applied Materials and Interfaces, 13, pp. 32601 - 32605, http://dx.doi.org/10.1021/acsami.1c08159

Macdonald TSC; Schmidt TW; Beves JE, 2021, 'An All-Photonic Molecular Amplifier and Binary Flip-flop', Journal of Physical Chemistry Letters, 12, pp. 1236 - 1243, http://dx.doi.org/10.1021/acs.jpclett.0c03497

Schmidt TW, 2021, 'The Spectroscopy of C2: A Cosmic Beacon', Accounts of Chemical Research, 54, pp. 481 - 489, http://dx.doi.org/10.1021/acs.accounts.0c00703

Liu Y; Kilby P; Frankcombe TJ; Schmidt TW, 2020, 'The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction', Nature Communications, 11, pp. 1210, http://dx.doi.org/10.1038/s41467-020-15039-9

Gholizadeh EM; Prasad SKK; Teh ZL; Ishwara T; Norman S; Petty AJ; Cole JH; Cheong S; Tilley RD; Anthony JE; Huang S; Schmidt TW, 2020, 'Photochemical upconversion of near-infrared light from below the silicon bandgap', Nature Photonics, 14, pp. 585 - 590, http://dx.doi.org/10.1038/s41566-020-0664-3

Liu Y; Frankcombe TJ; Schmidt TW, 2020, 'Electronic Wavefunction Tiles', Australian Journal of Chemistry, 73, pp. 757 - 766, http://dx.doi.org/10.1071/CH19517

Sabatini RP; Maasoumi F; Prasad SKK; Zhang B; Clark C; Schmidt TW; Wong WWH; Lakhwani G, 2020, 'Organic polariton lasing with molecularly isolated perylene diimides', Applied Physics Letters, 117, http://dx.doi.org/10.1063/5.0012461

Zhou Y; Castellano FN; Schmidt TW; Hanson K, 2020, 'On the Quantum Yield of Photon Upconversion via Triplet-Triplet Annihilation', ACS Energy Letters, 5, pp. 2322 - 2326, http://dx.doi.org/10.1021/acsenergylett.0c01150

Wang D; Malmberg R; Pernik I; Prasad SKK; Roemer M; Venkatesan K; Schmidt TW; Keaveney ST; Messerle BA, 2020, 'Development of tethered dual catalysts: synergy between photo- And transition metal catalysts for enhanced catalysis', Chemical Science, 11, pp. 6256 - 6267, http://dx.doi.org/10.1039/d0sc02703k

Günay B; Burton MG; Afşar M; Schmidt TW, 2020, 'A method for mapping the aliphatic hydrocarbon content of interstellar dust towards the Galactic Centre', Monthly Notices of the Royal Astronomical Society, 493, pp. 1109 - 1119, http://dx.doi.org/10.1093/mnras/staa288

Rossi A; Price MB; Hardy J; Gorman J; Schmidt TW; Davis NJLK, 2020, 'Energy Transfer between Perylene Diimide Based Ligands and Cesium Lead Bromide Perovskite Nanocrystals', Journal of Physical Chemistry C, 124, pp. 3306 - 3313, http://dx.doi.org/10.1021/acs.jpcc.9b11525

Liu Y; Frankcombe TJ; Schmidt TW, 2020, 'Visualizing the 30-Dimensional Antisymmetrized Electronic Structure of Water: The Emergence of Lone Pairs', Journal of Physical Chemistry Letters, 11, pp. 735 - 739, http://dx.doi.org/10.1021/acs.jpclett.9b03528

Wen S; Zhou J; Schuck PJ; Suh YD; Schmidt TW; Jin D, 2019, 'Future and challenges for hybrid upconversion nanosystems', Nature Photonics, 13, pp. 828 - 838, http://dx.doi.org/10.1038/s41566-019-0528-x

Lyskov I; Trushin E; Baragiola BQ; Schmidt TW; Cole JH; Russo SP, 2019, 'First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene)', Journal of Physical Chemistry C, 123, pp. 26831 - 26841, http://dx.doi.org/10.1021/acs.jpcc.9b08203

Gao C; Prasad SKK; Zhang B; Dvořák M; Tayebjee MJY; McCamey DR; Schmidt TW; Smith TA; Wong WWH, 2019, 'Intramolecular Versus Intermolecular Triplet Fusion in Multichromophoric Photochemical Upconversion', Journal of Physical Chemistry C, 123, pp. 20181 - 20187, http://dx.doi.org/10.1021/acs.jpcc.9b07098

Jefferies D; Schmidt TW; Frazer L, 2019, 'Photochemical upconversion theory: Importance of triplet energy levels and triplet quenching', Physical Review Applied, 12, http://dx.doi.org/10.1103/PhysRevApplied.12.024023

Krechkivska O; Wilcox CM; Nauta K; Kable SH; Schmidt TW, 2019, 'Quantum-Induced Symmetry Breaking in the Deuterated Dihydroanthracenyl Radical', Journal of Physical Chemistry A, 123, pp. 6711 - 6719, http://dx.doi.org/10.1021/acs.jpca.9b04561

Schmidt TW, 2019, 'A Marcus-Hush perspective on adiabatic singlet fission', Journal of Chemical Physics, 151, pp. 054305 - 054305, http://dx.doi.org/10.1063/1.5108669

Aspuru-Guzik A; Baik MH; Balasubramanian S; Banerjee R; Bart S; Borduas-Dedekind N; Chang S; Chen P; Corminboeuf C; Coudert FX; Cronin L; Crudden C; Cuk T; Doyle AG; Fan C; Feng X; Freedman D; Furukawa S; Ghosh S; Glorius F; Jeffries-El M; Katsonis N; Li A; Linse SS; Marchesan S; Maulide N; Milo A; Narayan ARH; Naumov P; Nevado C; Nyokong T; Palacin R; Reid M; Robinson C; Robinson G; Sarpong R; Schindler C; Schlau-Cohen GS; Schmidt TW; Sessoli R; Shao-Horn Y; Sleiman H; Sutherland J; Taylor A; Tezcan A; Tortosa M; Walsh A; Watson AJB; Weckhuysen BM; Weiss E; Wilson D; Yam VWW; Yang X; Ying JY; Yoon T; You SL; Zarbin AJG; Zhang H, 2019, 'Charting a course for chemistry', Nature Chemistry, 11, pp. 286 - 294, http://dx.doi.org/10.1038/s41557-019-0236-7

Gorman J; Pandya R; Allardice JR; Price MB; Schmidt TW; Friend RH; Rao A; Davis NJLK, 2019, 'Excimer Formation in Carboxylic Acid-Functionalized Perylene Diimides Attached to Silicon Dioxide Nanoparticles', Journal of Physical Chemistry C, 123, pp. 3433 - 3440, http://dx.doi.org/10.1021/acs.jpcc.8b12061

Stanley JNG; García-García I; Perfrement T; Lovell EC; Schmidt TW; Scott J; Amal R, 2019, 'Plasmonic effects on CO2 reduction over bimetallic Ni-Au catalysts', Chemical Engineering Science, 194, pp. 94 - 104, http://dx.doi.org/10.1016/j.ces.2018.04.003

Liu Y; Kilby P; Frankcombe TJ; Schmidt TW, 2019, 'Electronic transitions of molecules: Vibrating Lewis structures', Chemical Science, 10, pp. 6809 - 6814, http://dx.doi.org/10.1039/c9sc02534k

Price MB; Paton A; Gorman J; Wagner I; Laufersky G; Chen K; Friend RH; Schmidt TW; Hodgkiss JM; Davis NJLK, 2019, 'Inter-ligand energy transfer in dye chromophores attached to high bandgap SiO2 nanoparticles', Chemical Communications, 55, pp. 8804 - 8807, http://dx.doi.org/10.1039/c9cc03412a

Liu Y; Kilby P; Frankcombe TJ; Schmidt TW, 2018, 'Calculating curly arrows from ab initio wavefunctions', Nature Communications, 9, pp. 1436, http://dx.doi.org/10.1038/s41467-018-03860-2

Wilcox CM; Krechkivska O; Nauta K; Schmidt TW; Kable SH, 2018, 'Jet-Cooled Spectroscopy of ortho-Hydroxycyclohexadienyl Radicals', Journal of Physical Chemistry A, 122, pp. 8886 - 8897, http://dx.doi.org/10.1021/acs.jpca.8b07603

Macqueen RW; Liebhaber M; Niederhausen J; Mews M; Gersmann C; Jäckle S; Jäger K; Tayebjee MJY; Schmidt TW; Rech B; Lips K, 2018, 'Crystalline silicon solar cells with tetracene interlayers: The path to silicon-singlet fission heterojunction devices', Materials Horizons, 5, pp. 1065 - 1075, http://dx.doi.org/10.1039/c8mh00853a

Günay B; Schmidt TW; Burton MG; Afsar M; Krechkivska O; Nauta K; Kable SH; Rawal A, 2018, 'Aliphatic hydrocarbon content of interstellar dust', Monthly Notices of the Royal Astronomical Society, 479, pp. 4336 - 4344, http://dx.doi.org/10.1093/mnras/sty1582

Zhang J; Hill NS; Lalevée J; Fouassier JP; Zhao J; Graff B; Schmidt TW; Kable SH; Stenzel MH; Coote ML; Xiao P, 2018, 'Multihydroxy-Anthraquinone Derivatives as Free Radical and Cationic Photoinitiators of Various Photopolymerizations under Green LED', Macromolecular Rapid Communications, 39, pp. e1800172, http://dx.doi.org/10.1002/marc.201800172

Yasarapudi VB; Frazer L; Webb JEA; Gallaher JK; MacMillan A; Falber A; Thordarson P; Schmidt TW, 2018, 'Competing Energy Transfer Pathways in a Five-Chromophore Perylene Array', Journal of Physical Chemistry C, 122, pp. 13937 - 13943, http://dx.doi.org/10.1021/acs.jpcc.8b01084

Tayebjee MJY; Rao A; Schmidt TW, 2018, 'All-optical augmentation of solar cells using a combination of up- and downconversion', Journal of Photonics for Energy, 8, pp. 022007 - 022007, http://dx.doi.org/10.1117/1.JPE.8.022007

Schmidt TW; Macqueen RW; Tayebjee MJY; Castellano FN, 2018, 'Special section guest editorial: Spectral management for renewable energy conversion', Journal of Photonics for Energy, 8, http://dx.doi.org/10.1117/1.JPE.8.022001

Pun JKH; Gallaher JK; Frazer L; Prasad SKK; Dover CB; Macqueen RW; Schmidt TW, 2018, 'TIPS-anthracene: A singlet fission or triplet fusion material?', Journal of Photonics for Energy, 8, pp. 022006 - 022006, http://dx.doi.org/10.1117/1.JPE.8.022006

Reilly NJ; Da Silva G; Wilcox CM; Ge Z; Kokkin DL; Troy TP; Nauta K; Kable SH; McCarthy MC; Schmidt TW, 2018, 'Interconversion of Methyltropyl and Xylyl Radicals: A Pathway Unavailable to the Benzyl-Tropyl Rearrangement', Journal of Physical Chemistry A, 122, pp. 1261 - 1269, http://dx.doi.org/10.1021/acs.jpca.7b11914

Krechkivska O; Welsh BA; Fréreux JN; Nauta K; Kable SH; Schmidt TW, 2018, 'Higher vibrational levels of the D1Σu+ state of dicarbon: New Mulliken bands', Journal of Molecular Spectroscopy, 344, pp. 1 - 5, http://dx.doi.org/10.1016/j.jms.2017.09.009

Dover CB; Gallaher JK; Frazer L; Tapping PC; II AJP; Crossley MJ; Anthony JE; Kee TW; Schmidt TW, 2018, 'Endothermic singlet fission is hindered by excimer formation', Nature Chemistry, 10, pp. 305 - 310, http://dx.doi.org/10.1038/nchem.2926

Graf Von Reventlow L; Bremer M; Ebenhoch B; Gerken M; Schmidt TW; Colsmann A, 2018, 'An add-on organic green-to-blue photon-upconversion layer for organic light emitting diodes', Journal of Materials Chemistry C, 6, pp. 3845 - 3848, http://dx.doi.org/10.1039/c7tc05649d

Yasarapudi VB; Frazer L; Davis NJLK; Booker EP; Macmillan A; Gallaher JK; Roberts D; Perrier S; Schmidt TW, 2018, 'Optimization of energy transfer in a polymer composite with perylene chromophores', Journal of Materials Chemistry C, 6, pp. 7333 - 7342, http://dx.doi.org/10.1039/c8tc02457j

Gholizadeh EM; Frazer L; MacQueen RW; Gallaher JK; Schmidt TW, 2018, 'Photochemical upconversion is suppressed by high concentrations of molecular sensitizers', Physical Chemistry Chemical Physics, 20, pp. 19500 - 19506, http://dx.doi.org/10.1039/c8cp02650e

McVey BFP; O'Mara PB; McGrath AJ; Faramus A; Yasarapudi VB; Gonçales VR; Tan VTG; Schmidt TW; Gooding JJ; Tilley RD, 2017, 'Role of Surface Capping Molecule Polarity on the Optical Properties of Solution Synthesized Germanium Nanocrystals', Langmuir, 33, pp. 8790 - 8798, http://dx.doi.org/10.1021/acs.langmuir.7b01028

Welsh BA; Krechkivska O; Nauta K; Bacskay GB; Kable SH; Schmidt TW, 2017, 'The e Π g 3 state of C2: A pathway to dissociation', Journal of Chemical Physics, 147, pp. 024305, http://dx.doi.org/10.1063/1.4985882

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