By Professor Timothy Schmidt

Journal articles

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

MacDonald T; Schmidt T; Beves J, 2020, 'An All-Photonic Molecular Amplifier and Binary Flip-flop', , http://dx.doi.org/10.26434/chemrxiv.13277855.v2

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, http://dx.doi.org/10.1063/1.5108669

Liu Y; Frankcombe TJ; Schmidt T, 2019, 'The Electronic Structure of Water: Pulling Rabbit-Ears out of a Wave Function', , http://dx.doi.org/10.26434/chemrxiv.8847947

Krechkivska O; Wilcox C; Nauta K; Kable S; Schmidt T, 2019, 'Quantum-Induced Symmetry-Breaking in the Deuterated Dihydroanthracenyl Radical', , http://dx.doi.org/10.26434/chemrxiv.8123648.v1

Schmidt T, 2019, 'A Marcus-Hush Perspective on Adiabatic Singlet Fission', , http://dx.doi.org/10.26434/chemrxiv.8038892

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

Liu Y; Kilby P; Frankcombe TJ; Schmidt T, 2019, 'Electronic Transitions of Molecules: Vibrating Lewis Structures', , http://dx.doi.org/10.26434/chemrxiv.7871921

Schmidt T; Gholizadeh E; Prasad S; Teh ZL; Ishwara T; Norman S; Petty AJ; Anthony JE; Huang S, 2019, 'Oxygen-Enhanced Upconversion of near Infrared Light from Below the Silicon Band Gap', , http://dx.doi.org/10.26434/chemrxiv.7834838

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

Schmidt T, 2019, 'A Marcus-Hush Perspective on Adiabatic Singlet Fission', , http://dx.doi.org/10.26434/chemrxiv.8038892.v1

Liu Y; Kilby P; Frankcombe T; Schmidt T, 2019, 'Electronic Transitions of Molecules: Vibrating Lewis Structures', , http://dx.doi.org/10.26434/chemrxiv.7871921.v1

Schmidt T; Gholizadeh E; Prasad S; Teh ZL; Ishwara T; Norman S; Petty A; Anthony J; Huang S, 2019, 'Oxygen-Enhanced Upconversion of near Infrared Light from Below the Silicon Band Gap', , http://dx.doi.org/10.26434/chemrxiv.7834838.v1

Liu Y; Frankcombe T; Schmidt T, 2019, 'The Electronic Structure of Water: Pulling Rabbit-Ears out of a Wave Function', , http://dx.doi.org/10.26434/chemrxiv.8847947.v1

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

Frazer L; Gallaher JK; Schmidt TW, 2017, 'Optimizing the Efficiency of Solar Photon Upconversion', ACS Energy Letters, 2, pp. 1346 - 1354, http://dx.doi.org/10.1021/acsenergylett.7b00237

Krechkivska O; Welsh BA; Bacskay GB; Nauta K; Kable SH; Schmidt TW, 2017, 'First observation of the 3³Πg state of C2: Born-Oppenheimer breakdown', Journal of Chemical Physics, 146, pp. 134306, http://dx.doi.org/10.1063/1.4979293

O'Connor GD; Chan B; Sanelli JA; Cergol KM; Dryza V; Payne RJ; Bieske EJ; Radom L; Schmidt TW, 2017, 'Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry', Chemical Science, 8, pp. 1186 - 1194, http://dx.doi.org/10.1039/c6sc03787a

Macqueen RW; Tayebjee MJY; Webb JEA; Falber A; Thordarson P; Schmidt TW, 2016, 'Limitations and design considerations for donor-acceptor systems in luminescent solar concentrators: The effect of coupling-induced red-edge absorption', Journal of Optics (United Kingdom), 18, pp. 064010, http://dx.doi.org/10.1088/2040-8978/18/6/064010

Adnan NNM; Cheng YY; Ong NMN; Kamaruddin TT; Rozlan E; Schmidt TW; Duong HTT; Boyer C, 2016, 'Effect of gold nanoparticle shapes for phototherapy and drug delivery', Polymer Chemistry, 7, pp. 2888 - 2903, http://dx.doi.org/10.1039/c6py00465b

O'Connor GD; Sanelli JA; Dryza V; Bieske EJ; Schmidt TW, 2016, 'Electronic spectrum of 9-methylanthracenium radical cation', Journal of Chemical Physics, 144, pp. 154303, http://dx.doi.org/10.1063/1.4945109

Krechkivska O; Bacskay GB; Welsh BA; Nauta K; Kable SH; Stanton JF; Schmidt TW, 2016, 'The ionization energy of C2', Journal of Chemical Physics, 144, pp. 144305, http://dx.doi.org/10.1063/1.4944932

Schmidt TW, 2016, 'The electronic spectroscopy of resonance-stabilised hydrocarbon radicals', International Reviews in Physical Chemistry, 35, pp. 209 - 242, http://dx.doi.org/10.1080/0144235X.2016.1166830

Zhang Y; Tayebjee MJY; Smyth S; Dvořák M; Wen X; Xia H; Heilmann M; Liao Y; Zhang Z; Williamson T; Williams J; Bremner S; Shrestha S; Huang S; Schmidt TW; Conibeer GJ; Dvorak M, 2016, 'Extended hot carrier lifetimes observed in bulk In0.265±0.02Ga0.735N under high-density photoexcitation', Applied Physics Letters, 108, pp. 131904, http://dx.doi.org/10.1063/1.4945594

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