Publications Archive

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Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

M. Van den Bossche, N. M. Martin, J. Gustafson, C. Hakanoglu, J. F. Weaver, E. Lundgren and H. Grönbeck, J. Chem. Phys. 141, 034706 (2014).

DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle.

P.C. Jennings, H.A. Aleksandrov, K.M. Neyman, R.L. Johnston, Phys. Chem. Chem. Phys. 16,  26539 (2014).

Methanol Reactivity on Silica-Supported Ceria Nanoparticles

J. J. Uhlrich, B. Yang, S. Shaikhutdinov, Top. Catal. 57, 1229 (2014).

Morphological effects of nanostructured ceria supports on the activity and stability of CuO/CeO2 catalysts for the water-gas shift reaction

S. Y. Yao, W. Xu, A. Johnston-Peck, F. Zhao, Z. Liu, S. Luo, S. D. Senanayake, A. Martínez-Arias, W. J. Liu, and J. A. Rodriguez, Phys. Chem. Chem. Phys. 16, 17183 (2014).

Hydrogen activation, diffusion, and clustering on CeO2(111): A DFT+U study

D. Fernández-Torre, J. Carrasco, M. V. Ganduglia-Pirovano, and R. Pérez, J. Chem. Phys. 141, 014703 (2014).

Adsorption of Li, Na, K, and Mg Atoms on Amorphous and Crystalline Silica Bilayers on Ru(0001): A DFT Study

P. Schlexer, L. Giordano, G. Pacchioni, J. Phys. Chem. C 118, 15884 (2014).

Pure hydrogen production via PROX over gold catalysts supported on Pr-modified ceria

L. Ilieva, P. Petrova, T. Tabakova, G. Pantaleo, V. Montes, J.W. Sobczak, W. Lisowski, Z. Kaszkur, M. Boutonnet, A.M. Venezia, Fuel 134, 628 (2014).

Adsorbed and subsurface absorbed hydrogen atoms on bare and MgO(100)-supported Pd and Pt nanoparticles

S.M. Kozlov, H.A. Aleksandrov, K.M. Neyman, J. Phys. Chem. C 118, 15242 (2014).

Analysis of energy gap opening in graphene oxide

M. Lundie, Ž. Šljivančanin, and S. Tomić, J. Phys.: Conf. Ser. 526, 012003 (2014).