Dr Theodoros Papadopoulos

Senior Lecturer in Natural Sciences
Lecturer in Natural Sciences

Theodoros completed his undergraduate studies in physics at the University of Ioannina, Greece. He obtained his PhD in computational condensed matter physics from Lancaster University, UK, and, as a postdoctoral fellow, he conducted research in Universities and Institutes in the USA, UK and Belgium. He joined the Department of Natural Sciences of the University of Chester in March 2015.


Ptychion, PhD, FHEA, MInstP, member of AAAS


Theodoros is a fellow of the Higher Education Academy (HEA) and is mainly interested in modules related to solid state physics, molecular physics, electronic structure theory and computational physics. In the Department of Natural Sciences he is programme leader of the BSc Physics programme and teaches, partly or in whole, the following modules:

  • SE4024 - Classical and Quantum Physics
  • SE5011 - Electromagnetic Fields and Waves
  • SE5012 - Quantum Mechanics and the Theory of Solids
  • SE5027 - Statistical Thermodynamics


Theodoros conducted research as a postdoctoral fellow at the University of Bath, UK, Georgia Institute of Technology, USA, and the University of Liège, Belgium. He has collaborated with established academic and industrial partners in their respective fields, attended many international conferences and has published scientific articles in high impact journals such as Science, Advanced Functional Materials and Chemical Science.

His research spans on the area of computational condensed matter physics. In terms of applications his work is related to devices such as organic photovoltaics (OPVs) and organic light emitting diodes (OLEDs), which reside in the field of organic optoelectronics and molecular electronics. His research interests include:

  • Charge transfer at metal/organic and metal-oxide/organic interfaces.
  • Surface physics of metal oxides in the presence of defects and impurities.
  • Charge and exciton transport in pi-conjugated materials.
  • Electron transport in single-molecule junctions.
  • Real-time attosecond electron dynamics in nano-clusters and molecules.

The theoretical tools employed for Theodoros' research activities include Density Functional Theory (DFT), Time-Dependent Density Functional Theory (TD-DFT), Scattering theory and Green functions within the Landauer-Buttiker formalism, as well as kinetic Monte Carlo (KMC) modelling.

Published work

Selected publications

S. M. Gali, G. D’Avino, P. Aurel, G. Han, Y. Yi, T. A. Papadopoulos, V. Coropceanu, J.-L. Brédas, G. Hadziioannou, C. Zannoni, and L. Muccioli, Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility, J. Chem. Phys. 147, 134904 (2017).

M.-K. Lin, Y. Nakayama, Y.-J. Zhuang, K.-J. Su, C.-Y. Wang, T.-W. Pi, S. Metz, T. A. Papadopoulos, T. -C. Chiang, H. Ishii, and S.-J. Tang, Control of the dipole layer of polar organic molecules adsorbed on metal surfaces via different charge-transfer channels, Phys. Rev. B 95, 085425 (2017).

E. Polydorou, A. Zeniou, D. Tsikritzis, A. Soultati, I. Sakellis, S. Gardelis, T. A. Papadopoulos, J. Briscoe, L. C. Palilis, S. Kennou, E. Gogolides, P. Argitis, D. Davazoglou, and M. Vasilopoulou, Surface passivation effect by fluorine plasma treatment on ZnO for efficiency and lifetime improvement of inverted polymer solar cells, J. Mater. Chem. A 4, 11844 (2016).

M. Oliveira, B. Mignolet, T. Kus, T. A. Papadopoulos, F. Remacle, M. T. Verstraete, Computational benchmarking for ultrafast electron dynamics: wavefunction methods vs density functional theory, J. Chem. Theory Comput. 11, 2221 (2015).

M. Vasilopoulou, D. G. Georgiadou, A. Soultati, N. Boukos, S. Gardelis, L. C. Palilis, M. Fakis, G. Skoulatakis, S. Kennou, M. Botzakaki, S. Georga, C. A. Krontiras, F. Auras, D. Fattakhova-Rohlfing, T. Bein, T. A. Papadopoulos, D. Davazoglou and P. Argitis, Atomic-Layer-Deposited Aluminum and Zirconium Oxides for Surface Passivation of TiO2 in High-Efficiency Organic Photovoltaics, Adv. Energy Mater. 4, 1400214 (2014).

T. A. Papadopoulos, H. Li, E.-G. Kim, J. Liu, J. A. Cella, C. M. Heller, A. Shu, A. Kahn, A. Duggal and J.-L. Brédas, Impact of Functionalized Polystyrenes as Electron Injection Layer on Au and Al surfaces: A Combined Theoretical and Experimental Study, Isr. J. Chem. 54, 779 (2014).

T. A. Papadopoulos, J. Meyer, H. Li, Z. Guan, A. Kahn and J.-L. Brédas, Nature of the interfaces between stoichiometric and under-stoichiometric MoO3 and 4,4'-N,N'-dicarbazole-biphenyl: A combined theoretical and experimental study, Adv. Funct. Mater. 23, 6091 (2013).

R. Kodiyath, T. A. Papadopoulos, J. Wang, Z. A. Combs, H. Li, R. J. C. Brown, J. L. Brédas and V. V. Tsukruk, Silver-Decorated Cylindrical Nanopores: Combining the Third Dimension with Chemical Enhancement for Efficient Trace Chemical Detection with SERS, J. Phys. Chem. C, 116, 13917 (2012).

Y. Zhou, C. Fuentes-Hernandez, J. Shim, J. Meyer, A. J. Giordano, H. Li, P. Winget, T. A. Papadopoulos, H. Cheun, J. Kim, M. Fenoll, A. Dindar, W. Haske, E. Najafabadi, T. M. Khan, H. Sojoudi, S. Barlow, S. Graham, J. L. Brédas, S. R. Marder, A. Kahn and B. Kippelen, A universal method to produce low-work function electrodes for organic electronics, Science 336, 327 (2012).

T. A. Papadopoulos, L. Muccioli, S. Athanasopoulos, A. B. Walker, C. Zannoni, and D. Beljonne, Does supramolecular ordering influence exciton transport in conjugated systems? Insight from atomistic simulations, Chem. Science 2, 1025 (2011).