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We are a computational and theoretical chemistry research group based at the School of Natural and Environmental Sciences at Newcastle University. Our research interests are focused upon developing methods for and understanding excited state properties, nonadiabatic ultrafast dynamics and time-resolved spectroscopy.
In this site you can find out what’s going on in our laboratory, including our current research. |
Recent Publications
T. Katayama, T. Northey, W. Gawelda, C.J. Milne, G. Vankó, F.A. Lima, R. Bohinc, Z. Németh, S. Nozawa, T. Sato, D. Khakhulin, J. Szlachetko, T. Togashi, S. Owada, S. Adachi, C. Bressler, M. Yabashi and T.J. Penfold Tracking multiple components of a nuclear wavepacket in photoexcited Cu(I)-phenanthroline complex using ultrafast X-ray spectroscopy Nat. Commun. 9:3606 (2018).
Y. Takeda, H. Mizuno, Y. Okada, M. Okazaki, S. Minakata, T.J. Penfold and G. Fukuhara. Hydrostatic Pressure Controlled Ratiometric Luminescence Responses of Dibenzo[a,j]phenazine-cored Mechanoluminophore. DOI:10.1002/cptc.201900190 ChemPhotoChem (2019).
J. Eng, J. Hagon, T.J. Penfold. D-A3 TADF Emitters: The Role of the Density of State for Achieving Faster Triplet Harvesting Rates. J. Mater. Chem. C DOI;10.1039/C9TC02561H (2019).
L. Wan, J. Wade, F. Salerno, O. Arteaga, B. Laidlaw, X. Wang, T.J. Penfold, M.J. Fuchter and A.J. Campbell. Inverting the Handedness of Circularly Polarized Luminescence from Light Emitting Polymers Using Film Thickness. ACS Nano. doi.org/10.1021/acsnano.9b02940
TJ Penfold, M Pápai, KB Møller and GA Worth Excited State Dynamics Initiated by an Electromagnetic Field within the Variational Multi-Configurational Gaussian (vMCG) method. Comput. Theor. Chem. 1160:24-30 (2019)
Full list can be found under publications.
Y. Takeda, H. Mizuno, Y. Okada, M. Okazaki, S. Minakata, T.J. Penfold and G. Fukuhara. Hydrostatic Pressure Controlled Ratiometric Luminescence Responses of Dibenzo[a,j]phenazine-cored Mechanoluminophore. DOI:10.1002/cptc.201900190 ChemPhotoChem (2019).
J. Eng, J. Hagon, T.J. Penfold. D-A3 TADF Emitters: The Role of the Density of State for Achieving Faster Triplet Harvesting Rates. J. Mater. Chem. C DOI;10.1039/C9TC02561H (2019).
L. Wan, J. Wade, F. Salerno, O. Arteaga, B. Laidlaw, X. Wang, T.J. Penfold, M.J. Fuchter and A.J. Campbell. Inverting the Handedness of Circularly Polarized Luminescence from Light Emitting Polymers Using Film Thickness. ACS Nano. doi.org/10.1021/acsnano.9b02940
TJ Penfold, M Pápai, KB Møller and GA Worth Excited State Dynamics Initiated by an Electromagnetic Field within the Variational Multi-Configurational Gaussian (vMCG) method. Comput. Theor. Chem. 1160:24-30 (2019)
Full list can be found under publications.
Open Positions
PhD position in excited state generation and transfer in organic lignt emitting diodes (OLEDs) starting from October 2019. More information can be found here
There is always the possibility to join our group using a wide variety of funding schemes. For more information see Contact and Vacancies.
There is always the possibility to join our group using a wide variety of funding schemes. For more information see Contact and Vacancies.
Upcoming Events
International Conference of Energy Materials and Interfaces
29th July-1st August 2019, Newcastle University.
NECEM Summer School: NMR and EPR Spectroscopy for Energy Materials
2nd-4th September 2019, Newcastle University.
CONEXS Summer School on X-ray Absorption Spectroscopy
10-12th September 2019, Newcastle University.
Workshop on Chemical Dynamics at X-ray Free Electron Lasers (details to follow).
11th December 2019, Newcastle University.
29th July-1st August 2019, Newcastle University.
NECEM Summer School: NMR and EPR Spectroscopy for Energy Materials
2nd-4th September 2019, Newcastle University.
CONEXS Summer School on X-ray Absorption Spectroscopy
10-12th September 2019, Newcastle University.
Workshop on Chemical Dynamics at X-ray Free Electron Lasers (details to follow).
11th December 2019, Newcastle University.