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Gruppiert nach: Dokumententyp | Veröffentlichungsdatum
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Anzahl der Publikationen: 51

Zeitschriftenartikel

Zhang, Siyuan; Hajiyani, Hamidreza; Hufnagel, Alexander G.; Kampmann, Jonathan; Breitbach, Benjamin; Bein, Thomas; Fattakhova-Rohlfing, Dina; Pentcheva, Rossitza und Scheu, Christina (2020): Sn-Doped Hematite for Photoelectrochemical Water Splitting: The Effect of Sn Concentration. In: Zeitschrift für Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, Bd. 234, Nr. 4: S. 683-698

Kampmann, Jonathan; Betzler, Sophia; Hajiyani, Hamidreza; Haeringer, Sebastian; Beetz, Michael; Harzer, Tristan; Kraus, Jürgen; Lotsch, Bettina V.; Scheu, Christina; Pentcheva, Rossitza; Fattakhova-Rohlfing, Dina und Bein, Thomas (2020): How photocorrosion can trick you: a detailed study on low-bandgap Li doped CuO photocathodes for solar hydrogen production. In: Nanoscale, Bd. 12, Nr. 14: S. 7766-7775

Singh-Bhalla, Guneeta; Rossen, Pim B.; Palsson, Gunnar K.; Mecklenburg, Matthew; Orvis, Thomas; Das, Sujit; Tang, Yun-Long; Suresha, Jaganatha S.; Yi, Di; Dasgupta, Abhigyan; Doenning, David; Ruiz, Victor G.; Yadav, Ajay K.; Trassin, Morgan; Heron, John T.; Fadley, Charles S.; Pentcheva, Rossitza; Ravichandran, Jayakanth und Ramesh, Ramamoorthy (2018): Unexpected termination switching and polarity compensation in LaAlO3/SrTiO3 heterostructures. In: Physical Review Materials, Bd. 2, Nr. 11, 112001

Hufnagel, Alexander G.; Hajiyani, Hamidreza; Zhang, Siyuan; Li, Tong; Kasian, Olga; Gault, Baptiste; Breitbach, Benjamin; Bein, Thomas; Fattakhova-Rohlfing, Dina; Scheu, Christina und Pentcheva, Rossitza (2018): Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting-The Full Picture. In: Advanced Functional Materials, Bd. 28, Nr. 52, 1804472

Doennig, D.; Pickett, Warren E. und Pentcheva, Rossitza (2013): Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells: A three-orbital strongly correlated generalization of graphene. In: Physical Review Letters, Bd. 111, Nr. 12

Gleason, A.E.; Quiroga, C.E.; Suzuki, A.; Pentcheva, Rossitza und Mao, W.L. (2013): Symmetrization driven spin transition in ε-FeOOH at high pressure. In: Earth and Planetary Science Letters, Bd. 379: S. 49-55

Gray, A.X.; Minár, J.; Plucinski, L.; Huijben, M.; Bostwick, A.; Rotenberg, E.; Yang, S.-H.h; Braun, J.; Winkelmann, A.; Conti, G.; Eiteneer, D.; Rattanachata, A.; Greer, A.A.; Ciston, J.; Ophus, C.; Rijnders, G.; Blank, D. H. A.; Doennig, D.; Pentcheva, Rossitza; Kortright, J.B.; Schneider, C.M.; Ebert, H. und Fadley, C. S. (2013): Momentum-resolved electronic structure at a buried interface from soft X-ray standing-wave angle-resolved photoemission. In: EPL, Bd. 104, Nr. 1

Otte, Katrin; Schmahl, Wolfgang W. und Pentcheva, Rossitza (2013): DFT+U Study of Arsenate Adsorption on FeOOH Surfaces: Evidence for Competing Binding Mechanisms. In: Journal of Physical Chemistry C, Bd. 117, Nr. 30: S. 15571-15582

Novotny, Z.; Mulakaluri, Narasimham; Edes, Z.; Schmid, M.; Pentcheva, Rossitza; Diebold, Ulrike und Parkinson, Gareth S. (2013): Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface. In: Physical Review B - Condensed Matter and Materials Physics, Bd. 87, Nr. 19 [PDF, 3MB]

Kendelewicz, T.; Kaya, S.; Newberg, J.T.; Bluhm, H.; Mulakaluri, Narasimham; Moritz, Wolfgang; Scheffler, Matthias; Nilsson, A.; Pentcheva, Rossitza und Brown Jr., G. E. (2013): X-ray photoemission and density functional theory study of the interaction of water vapor with the Fe3O4(001) surface at near-ambient conditions. In: Journal of Physical Chemistry C, Bd. 117, Nr. 6: S. 2719-2733

Mulakaluri, Narasimham und Pentcheva, Rossitza (2012): Hydrogen Adsorption and Site-Selective Reduction of the Fe3O4(001) Surface: Insights From First Principles. In: Journal of Physical Chemistry C, Bd. 116, Nr. 31: S. 16447-16453

Arras, Remi; Ruiz, Victor G.; Pickett, Warren E. und Pentcheva, Rossitza (2012): Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contacts. In: Physical Review B, Bd. 85, Nr. 12

Otte, Katrin; Schmahl, Wolfgang W. und Pentcheva, Rossitza (2012): Density functional theory study of water adsorption on FeOOH surfaces. In: Surface Science, Bd. 606, Nr. 21-22: S. 1623-1632

Pentcheva, Rossitza; Arras, R.; Otte, Katrin; Ruiz, Victor G. und Pickett, Warren E. (2012): Termination control of electronic phases in oxide thin films and interfaces: LaAlO 3/SrTiO 3(001). In: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Bd. 370, Nr. 1977: S. 4904-4926 [PDF, 1MB]

Freeland, J. W.; Liu, J.; Kareev, M.; Gray, B.; Kim, J.W.; Ryan, P.; Pentcheva, Rossitza und Chakhalian, J. (2011): Orbital control in strained ultra-thin LaNiO3/LaAlO3 superlattices. In: EPL, Bd. 96, Nr. 5

Koval, Y.; Chowdhury, F.; Jin, X.; Simsek, Y.; Lichtenberg, F.; Pentcheva, Rossitza und Müller, P. (2011): Resistive memory switching in layered oxides: A nB nO 3n+2 perovskite derivatives and Bi 2Sr 2CaCu 2O 8+δ high-T c superconductor. In: Physica Status Solidi (A) Applications and Materials Science, Bd. 208, Nr. 2: S. 284-299

Nabi, Hasan Sadat und Pentcheva, Rossitza (2011): Energetic stability and magnetic coupling in (Cr1-xFex)(2)O-3: Evidence for a ferrimagnetic ilmenite-type superlattice from first principles. In: Physical Review B, Bd. 83, Nr. 21

Otte, Katrin; Schmahl, Wolfgang W. und Pentcheva, Rossitza (2011): Sorption properties of FeOOH surfaces from first principles. In: Abstracts of Papers of the American Chemical Society, Bd. 241

Blanca-Romero, Ariadna und Pentcheva, Rossitza (2011): Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices. In: Physical Review B, Bd. 84, Nr. 19

Parkinson, Gareth S.; Mulakaluri, Narasimham; Losovyj, Yaroslav; Jacobson, Peter; Pentcheva, Rossitza und Diebold, Ulrike (2010): Semiconductor-half metal transition at the Fe3O4(001) surface upon hydrogen adsorption. In: Physical Review B, Bd. 82, Nr. 12

Pentcheva, Rossitza; Huijben, M.; Otte, Katrin; Pickett, Warren E.; Kleibeuker, J.E.; Huijben, J.; Boschker, H.; Kockmann, D.; Siemons, W.; Koster, G.; Zandvliet, H. J. W.; Rijnders, G.; Blank, D. H. A.; Hilgenkamp, H. und Brinkman, A. (2010): Parallel electron-hole bilayer conductivity from electronic interface reconstruction. In: Physical Review Letters, Bd. 104, Nr. 16

Pentcheva, Rossitza und Pickett, Warren E. (2010): Electronic phenomena at complex oxide interfaces: insights from first principles. In: Journal of Physics Condensed Matter, Bd. 22, Nr. 4

Nabi, Hasan Sadat; Pentcheva, Rossitza und Ranjan, Rajeev (2010): Ab initio electronic structures of rhombohedral and cubic HgXO3 (X = Ti, Pb). In: Journal of Physics Condensed Matter, Bd. 22, Nr. 4

Mulakaluri, Narasimham; Pentcheva, Rossitza und Scheffler, Matthias (2010): Coverage-Dependent Adsorption Mode of Water on Fe3O4(001): Insights from First Principles Calculations. In: Journal of Physical Chemistry C, Bd. 114, Nr. 25: S. 11148-11156

Nabi, Hasan Sadat; Harrison, Richard J. und Pentcheva, Rossitza (2010): Magnetic coupling parameters at an oxide-oxide interface from first principles: Fe2O3-FeTiO3. In: Physical Review B, Bd. 81, Nr. 21

Otte, Katrin; Pentcheva, Rossitza; Schmahl, Wolfgang W. und Rustad, James R. (2009): First principles investigation of the FeOOH-polymorphs under pressure. In: Geochimica et Cosmochimica Acta, Bd. 73, Nr. 13: A980

Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria; Moritz, Wolfgang und Scheffler, Matthias (2009): Partial dissociation of water on Fe3O4(001): Adsorbate induced charge and orbital order. In: Physical Review Letters, Bd. 103, Nr. 17 [PDF, 1MB]

Nabi, Hasan Sadat und Pentcheva, Rossitza (2009): Effect of strain on the stability and electronic properties of ferrimagnetic Fe2-xTixO3 heterostructures from correlated band theory. In: Journal of Applied Physics, Bd. 106, Nr. 7

Ranjan, Rajeev; Nabi, Hasan Sadat und Pentcheva, Rossitza (2009): First principles study of magnetism in divalent Eu perovskites. In: Journal of Applied Physics, Bd. 105, Nr. 5

Pentcheva, Rossitza und Pickett, Warren E. (2009): Avoiding the Polarization Catastrophe in LaAlO3 Overlayers on SrTiO3(001) through Polar Distortion. In: Physical Review Letters, Bd. 102, Nr. 10

Pentcheva, Rossitza (2009): Water adsorption on the Fe3O4(001)-surface: Evidence for lifting of the (root 2 x root 2)R45 degrees - reconstruction. In: Abstracts of Papers of the American Chemical Society, Bd. 237

Otte, Katrin; Pentcheva, Rossitza; Schmahl, Wolfgang W. und Rustad, James R. (2009): Pressure-induced structural and electronic transitions in FeOOH from first principles. In: Physical Review B, Bd. 80, Nr. 20

Pentcheva, Rossitza und Pickett, Warren E. (2008): Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO(3)/SrTiO(3) interface. In: Physical Review B, Bd. 78, Nr. 20

Pentcheva, Rossitza und Nabi, Hasan Sadat (2008): Interface magnetism in Fe(2)O(3)/FeTiO(3) heterostructures. In: Physical Review B, Bd. 77, Nr. 17

Pentcheva, Rossitza; Moritz, Wolfgang; Rundgren, J.; Frank, S.; Schrupp, D. und Scheffler, Matthias (2008): A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(0 0 1). In: Surface Science, Bd. 602, Nr. 7: S. 1299-1305

Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U. und Güntherodt, G. (2008): Spin-resolved photoelectron spectroscopy of Fe3O4 - Revisited. In: Journal of Physics Condensed Matter, Bd. 20, Nr. 14 [PDF, 345kB]

Pentcheva, Rossitza und Pickett, Warren E. (2007): Correlation-driven charge order at the interface between a Mott and a band insulator. In: Physical Review Letters, Bd. 99, Nr. 1

Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U. und Güntherodt, G. (2007): Magnetite: A search for the half-metallic state. In: Journal of Physics Condensed Matter, Bd. 19, Nr. 31

Hjorvarsson, Bjorgvin; Pentcheva, Rossitza und Zabel, Bader (2007): Modern growth problems and growth techniques. In: Springer Tracts in Modern Physics, Bd. 227: S. 1-44

Ranjan, Rajeev; Nabi, Hasan Sadat und Pentcheva, Rossitza (2007): Electronic structure and magnetism of EuTiO3: a first-principles study. In: Journal of Physics Condensed Matter, Bd. 19, Nr. 40

Pentcheva, Rossitza und Pickett, Warren E. (2006): Charge localization or itineracy at LaAl O3 SrTi O3 interfaces: Hole polarons, oxygen vacancies, and mobile electrons. In: Physical Review B - Condensed Matter and Materials Physics, Bd. 74, Nr. 3

Fonin, M.; Pentcheva, Rossitza; Dedkov, Yu. S.; Sperlich, M.; Vyalikh, D.V.; Scheffler, Matthias; Rüdiger, U. und Güntherodt, G. (2005): Surface electronic structure of the Fe3O4(100): Evidence of a half-metal to metal transition. In: Physical Review B - Condensed Matter and Materials Physics, Bd. 72, Nr. 10 [PDF, 849kB]

Pentcheva, Rossitza (2005): Ab initio study of microscopic processes in the growth of Co on Cu(001). In: Applied Physics A: Materials Science and Processing, Bd. 80, Nr. 5: S. 971-975

Pentcheva, Rossitza; Wendler, Frank; Meyerheim, Holger L.; Moritz, Wolfgang; Jedrecy, N. und Scheffler, Matthias (2005): Jahn-Teller stabilization of a \"Polar\" metal oxide surface: Fe3O4(001). In: Physical Review Letters, Bd. 94, Nr. 12 [PDF, 1MB]

Pentcheva, Rossitza; Fichthorn, K. A.; Scheffler, Matthias; Bernhard, T.; Pfandzelter, R. und Winter, H. (2003): Non-Arrhenius behavior of the island density in metal heteroepitaxy: Co on Cu(001). In: Physical Review Letters, Bd. 90, Nr. 7: 076101/1-076101/4

Pentcheva, Rossitza und Scheffler, Matthias (2002): Initial adsorption of Co on Cu(001): A first-principles investigation. In: Physical Review B - Condensed Matter and Materials Physics, Bd. 65, Nr. 15: S. 1554181-15541811

Pentcheva, Rossitza und Scheffler, Matthias (2000): Stable and metastable structures of Co on Cu(001): An ab initio study. In: Physical Review B - Condensed Matter and Materials Physics, Bd. 61, Nr. 3: S. 2211-2220

Nouvertné, F.; May, U.; Bamming, M.; Rampe, A.; Korte, U.; Güntherodt, G.; Pentcheva, Rossitza und Scheffler, Matthias (1999): Atomic exchange processes and bimodal initial growth of Co/Cu(001). In: Physical Review B - Condensed Matter and Materials Physics, Bd. 60, Nr. 20: S. 14382-14386

Buchbeitrag

Nabi, Hasan Sadat und Pentcheva, Rossitza (2010): Origin of Interface Magnetism in Fe(2)O(3)/FeTiO(3) Heterostructures. In: Wagner, S.; Steinmetz, M.; Bode, A. und Muller, M. M. (Hrsg.): HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING, GARCHING/MUNICH 2009: TRANSACTIONS OF THE FOURTH JOINT HLRB AND KONWIHR REVIEW AND RESULTS WORKSHOP. S. 565-574

Pentcheva, Rossitza; Mulakaluri, Narasimham; Moritz, Wolfgang; Pickett, Warren E.; Kleinhenz, Hans-Georg und Scheffler, Matthias (2009): Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study. In: Wagner, S.; Steinmetz, M.; Bode, A. und Brehm, M. (Hrsg.): High Performance Computing in Science and Engineering, Garch/Munich 2007. S. 709-717

Hjorvarsson, Bjorgvin und Pentcheva, Rossitza (2008): Modern growth problems and growth techniques. In: Zabel, H. und Bader, S. D. (Hrsg.): Magnetic Heterostructures: Advances and Perspective in Spinstructures and Spintransport. Bd. 227. S. 1-44

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