WG3 Publications Archive

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TIR and density functional study of NO interaction with reduced ceria: Identification of N3− and NO2− as new intermediates in NO conversion

M. Y. Mihaylov, E. Z. Ivanova, H. A. Aleksandrov, P. S. Petkov, G. N. Vayssilov, and K. I. Hadjiivanov, Appl. Catal. B: Environ. 176–177, 107 (2015).

A ReaxFF Force-Field for Ceria Bulk, Surfaces and Nanoparticles

P. Broqvist, J. P. Kullgren, M. J. Wolf, A. C. T. van Duin, and K. Hermansson, J. Phys. Chem. C 119, 13598 (2015).

Dry reforming of methane on ceria prepared by modified precipitation route

C. G. Rotaru, G. Postole, M. Florea, F. Matei-Rutkovska, V. I. Pârvulescu, and P. Gelin, Applied Catalysis A: General 494, 29 (2015).

Formation of Water Chains on CaO(001): What Drives the 1D Growth?

X. Zhao, X. Shao, Y. Fujimori, S. Bhattacharya, L. M. Ghiringhelli, H.-J. Freund, M. Sterrer, N. Nilius, and S. V. Levchenko, J. Phys. Chem. Lett. 6, 1204 (2015).

B-Site Metal (Pd, Pt, Ag, Cu, Zn, Ni) Promoted La1− xSrxCo1− yFeyO3− δ Perovskite Oxides as Cathodes for IT-SOFCs

S. Guo, H. Wu, F. Puleo and L. F. Liotta, Catalysts 5, 366 (2015).

NO reduction by CO over gold catalysts supported on Fe-loaded ceria

L. Ilieva, G. Pantaleo, N. Velinov, T. Tabakova, P. Petrova, L. Ilieva, G. Pantaleo, N. Velinov, T. Tabakova, P. Petrova, Appl. Catal. B 174, 176 (2015).

Au–Rh and Au–Pd nanocatalysts supported on rutile titania nanorods: structure and chemical stability

Z. Konuspayeva, P. Afanasiev, T.-S. Nguyen, L. Di Felice, F. Morfin, N.-T. Nguyen, J. Nelayah, C. Ricolleau, Z. Y. Li, J. Yuan, G. Berhault and L. Piccolo, Phys. Chem. Chem. Phys. 17, 28112 (2015).

Formation of N3–during interaction of NO with reduced ceria

M. Mihaylov, E. Ivanova, H.A. Aleksandrov, P. St Petkov, G. N. Vayssilov, K. I. Hadjiivanov, Chem. Comm. 51, 5668 (2015).

Growth of Fe3O4(001) thin films on Pt(100): Tuning surface termination with an Fe buffer layer

E.M. Davis, K. Zhang, Y. Cui, H. Kuhlenbeck, S. Shaikhutdinov, H.-J. Freund, Surf. Sci. 636, 42 (2015).

Simulation of IRRAS Spectra for Molecules on Oxide surfaces: CO on TiO2(110)

S. Hu, Z. Wang, A. Mattsson, L. Österlund, K. Hermansson, J. Phys. Chem. C 119, 5403 (2015).