| Catalytic Oxidation Activity of Pt3O4 Surfaces and Thin Films N Seriani, W Pompe, LC Ciacchi The Journal of Physical Chemistry B 110 (30), 14860-14869, 2006 | 172 | 2006 |
| Water adsorption and dissociation on α-Fe2O3 (0001): PBE+ U calculations MT Nguyen, N Seriani, R Gebauer The Journal of chemical physics 138 (19), 2013 | 144 | 2013 |
| Morphology of mesoscopic Rh and Pd nanoparticles under oxidizing conditions F Mittendorfer, N Seriani, O Dubay, G Kresse Physical Review B—Condensed Matter and Materials Physics 76 (23), 233413, 2007 | 134 | 2007 |
| The Pd (100)-(5× 5) R27°–O surface oxide: A LEED, DFT and STM study P Kostelník, N Seriani, G Kresse, A Mikkelsen, E Lundgren, V Blum, ... Surface science 601 (6), 1574-1581, 2007 | 125 | 2007 |
| Density functional theory study of platinum oxides: From infinite crystals to nanoscopic particles N Seriani, Z Jin, W Pompe, LC Ciacchi Physical Review B—Condensed Matter and Materials Physics 76 (15), 155421, 2007 | 114 | 2007 |
| Platinum-group and noble metals under oxidizing conditions N Seriani, F Mittendorfer Journal of Physics: Condensed Matter 20 (18), 184023, 2008 | 102 | 2008 |
| Photo-oxidation of water on defective hematite (0001) MT Nguyen, S Piccinin, N Seriani, R Gebauer ACS Catalysis 5 (2), 715-721, 2015 | 101 | 2015 |
| Effects of Al-doping on the properties of Li–Mn–Ni–O cathode materials for Li-ion batteries: an ab initio study A Dianat, N Seriani, M Bobeth, G Cuniberti Journal of Materials Chemistry A 1 (32), 9273-9280, 2013 | 99 | 2013 |
| Ab initio thermodynamics of lithium oxides: from bulk phases to nanoparticles N Seriani Nanotechnology 20 (44), 445703, 2009 | 98 | 2009 |
| Photo-driven oxidation of water on α-Fe2O3 surfaces: An ab initio study MT Nguyen, N Seriani, S Piccinin, R Gebauer The Journal of chemical physics 140 (6), 2014 | 93 | 2014 |
| Presence of Gap States at Cu/TiO2 Anatase Surfaces: Consequences for the Photocatalytic Activity N Seriani, C Pinilla, Y Crespo The Journal of Physical Chemistry C 119 (12), 6696-6702, 2015 | 92 | 2015 |
| Surface oxides on Pd (111): STM and density functional calculations J Klikovits, E Napetschnig, M Schmid, N Seriani, O Dubay, G Kresse, ... Physical Review B—Condensed Matter and Materials Physics 76 (4), 045405, 2007 | 88 | 2007 |
| Oxidation of Pd (553): From ultrahigh vacuum to atmospheric pressure R Westerström, J Gustafson, A Resta, A Mikkelsen, JN Andersen, ... Physical Review B—Condensed Matter and Materials Physics 76 (15), 155410, 2007 | 86 | 2007 |
| Carbon in palladium catalysts: A metastable carbide N Seriani, F Mittendorfer, G Kresse The Journal of chemical physics 132 (2), 2010 | 82 | 2010 |
| Ultrahigh carrier mobility of penta-graphene: a first-principle study J Deb, N Seriani, U Sarkar Physica E: Low-dimensional Systems and Nanostructures 127, 114507, 2021 | 74 | 2021 |
| Electronic properties of homo-and heterobilayer graphyne: The idea of a nanocapacitor B Bhattacharya, U Sarkar, N Seriani The Journal of Physical Chemistry C 120 (47), 26579-26587, 2016 | 74 | 2016 |
| CO 2 conversion to methanol on Cu (I) oxide nanolayers and clusters: an electronic structure insight into the reaction mechanism EL Uzunova, N Seriani, H Mikosch Physical Chemistry Chemical Physics 17 (16), 11088-11094, 2015 | 65 | 2015 |
| A first-principles study of bulk oxide formation on Pd (100) N Seriani, J Harl, F Mittendorfer, G Kresse The Journal of chemical physics 131 (5), 2009 | 65 | 2009 |
| Nitrogen electrochemically reduced to ammonia with hematite: density-functional insights MT Nguyen, N Seriani, R Gebauer Physical Chemistry Chemical Physics 17 (22), 14317-14322, 2015 | 58 | 2015 |
| TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions E Araujo-Lopez, LA Varilla, N Seriani, JA Montoya Surface Science 653, 187-196, 2016 | 57 | 2016 |
