Principal Investigator Rossitza Pentcheva

Prof. Dr. Rossitza Pentcheva

Phone: +49 203 379-2238

Personal Website

Computational Materials Physics
Faculty of Physics
University of Duisburg-Essen

Project Area BB4: Theoretical Understanding and Trends in Reactivity of Transition Metal Oxides: Role of Structural Patterns and Control of Electronic State

Project B4 will provide theoretical understanding and identify trends in the catalytic activity within a series of transition metal oxides as a function of structural motifs, chemical composition, surface morphology and imperfections based on density functional theory calculations.

> more about B4

Curriculum Vitae

Professional career

Scientific education and dregrees

Awards and Scholarships

Positions and functions

Selected Publications

  1. M. Lorenz, M. S. Ramachandra Rao, T. Venkatesan, E. Fortunato, P. Barquinha, R. Branquinho, D. Salgueiro, R. Martins, E. Carlos, A. Liu, F. K. Shan, M. Grundmann, H. Boschker, J. Mukherjee, M. Priyadarshini, N. DasGupta, D. J. Rogers, F. H. Teherani, E. V. Sandana, P. Bove, K. Rietwyk, A. Zaban, A. Veziridis, A. Weidenkaff, M. Muralidhar, M. Murakami, S. Abel, J. Fompeyrine, J. Zuniga-Perez, R. Ramesh, N. A. Spaldin, S. Ostanin, V. Borisov, I. Mertig, V. Lazenka, G. Srinivasan, W. Prellier, M. Uchida, M. Kawasaki, R. Pentcheva, P. Gegenwart, F. Miletto Granozio, J. Fontcuberta and N. Pryds, The 2016 oxide electronic materials and oxide interfaces roadmap, J. Phys. D: Appl. Phys. 49, 433001 (2016).
  2. K. Chakrapani, G. Bendt, H. Hajiyani, I. Schwarzrock, T. Lunkenbein, S. Salamon, J. Landers, H. Wende, R. Schlögl, R. Pentcheva, M. Behrens, S. Schulz, Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction, Chem Cat. Chem. 9, 2988-2995 (2017).
  3. B. Geisler, A. Blanca-Romero, R. Pentcheva, Design of n- and p-type oxide thermoelectrics in LaNiO3/SrTiO3(001) superlattices exploiting interface polarity, Phys. Rev. B 95, 125301 (2017).
  4. S. Middey, D. Meyers, D. Doennig, M. Kareev, X. Liu, Y. Cao, Zhenzhong Yang, Jinan Shi, Lin Gu, P. J. Ryan, R. Pentcheva, J. W. Freeland, and J. Chakhalian, Mott Electrons in an Artificial Graphenelike Crystal of Rare-Earth Nickelate, Phys. Rev. Lett. 116, 056801 (2016).
  5. M. E. Gruner, U. Eckern and R. Pentcheva, Impact of strain-induced electronic topological transition on the thermoelectric properties of PtCoO2 and PdCoO2, Phys. Rev. B 92, 235140 (2015)
  6. H. Guo, S. Gangopadhyay, O. Köksal, R. Pentcheva, and W. E. Pickett,  Wide gap Chern Mott insulating phases achieved by design, npj Quantum Materials 2, 4 (2017).
  7. D. Doennig, W.E. Pickett, R. Pentcheva, Confinement-driven transitions between topological and Mott phases in (LaNiO3)N/(LaAlO3) M (111) superlattices, Phys. Rev. B 89, 121110(R) (2014).
  8. E. Lesné, N. Reyren, D. Doennig, R. Mattana, F. Choueikani, H. Jaffrès, V. Cros, F. Petroff, P. Ohresser, R. Pentcheva, A. Barthélémy, M. Bibes, Suppression of the Critical Thickness Threshold for Conductivity at the LaAlO3/SrTiO3 Interface, Nature Commun. 5, 4291 (2014).
  9. D. Doennig, W.E. Pickett and R. Pentcheva, Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells:  a three-orbital, strongly correlated generalization of graphene, Phys. Rev. Lett. 111, 126804 (2013).
  10. R. Pentcheva, M. Huijben, K. Otte, W.E. Pickett, J.E. Kleibeuker, J. Huijben, H. Boschker, D. Kockmann, W. Siemons, G. Koster, H.J.W. Zandvliet, G. Rijnders, D.H.A. Blank, H. Hilgenkamp and A. Brinkman, Parallel electron-hole bilayer conductivity from electronic interface reconstruction, Phys. Rev. Lett. 104, 166804 (2010).