Adsorption of potassium and oxygen on graphite: A theoretical study D Lamoen, BNJ Persson The Journal of chemical physics 108 (8), 3332-3341, 1998 | 156 | 1998 |
Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles JT Titantah, D Lamoen Diamond and related materials 16 (3), 581-588, 2007 | 147 | 2007 |
Electronic structure of transparent oxides with the Tran–Blaha modified Becke–Johnson potential H Dixit, R Saniz, S Cottenier, D Lamoen, B Partoens Journal of Physics: Condensed Matter 24 (20), 205503, 2012 | 144 | 2012 |
Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4 H Dixit, N Tandon, S Cottenier, R Saniz, D Lamoen, B Partoens, ... New Journal of Physics 13 (6), 063002, 2011 | 141 | 2011 |
Accelerated discovery of efficient solar cell materials using quantum and machine-learning methods K Choudhary, M Bercx, J Jiang, R Pachter, D Lamoen, F Tavazza Chemistry of materials 31 (15), 5900-5908, 2019 | 114 | 2019 |
sp3/sp2 characterization of carbon materials from first-principles calculations: X-ray photoelectron versus high energy electron energy-loss spectroscopy techniques JT Titantah, D Lamoen Carbon 43 (6), 1311-1316, 2005 | 114 | 2005 |
Determination of the mean inner potential in III–V semiconductors, Si and Ge by density functional theory and electron holography P Kruse, M Schowalter, D Lamoen, A Rosenauer, D Gerthsen Ultramicroscopy 106 (2), 105-113, 2006 | 98 | 2006 |
Computation and parametrization of the temperature dependence of Debye–Waller factors for group IV, III–V and II–VI semiconductors M Schowalter, A Rosenauer, JT Titantah, D Lamoen Acta Crystallographica Section A: Foundations of Crystallography 65 (1), 5-17, 2009 | 89 | 2009 |
Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis AV Soldatov, D Lamoen, MJ Konstantinović, S Van den Berghe, ... Journal of Solid State Chemistry 180 (1), 54-61, 2007 | 88 | 2007 |
The quasiparticle band structure of zincblende and rocksalt ZnO H Dixit, R Saniz, D Lamoen, B Partoens Journal of physics: condensed matter 22 (12), 125505, 2010 | 83 | 2010 |
Technique for the characterization of carbon materials: Ab initio calculation of near-edge structure in electron-energy-loss spectra JT Titantah, D Lamoen Physical Review B—Condensed Matter and Materials Physics 70 (7), 075115, 2004 | 78 | 2004 |
Easily doped p-type, low hole effective mass, transparent oxides N Sarmadian, R Saniz, B Partoens, D Lamoen Scientific reports 6 (1), 20446, 2016 | 72 | 2016 |
The origin of p-type conductivity in ZnM 2 O 4 (M= Co, Rh, Ir) spinels MN Amini, H Dixit, R Saniz, D Lamoen, B Partoens Physical Chemistry Chemical Physics 16 (6), 2588-2596, 2014 | 72 | 2014 |
van der Waals bonding and the quasiparticle band structure of SnO from first principles K Govaerts, R Saniz, B Partoens, D Lamoen Physical Review B—Condensed Matter and Materials Physics 87 (23), 235210, 2013 | 69 | 2013 |
Geometry and electronic structure of porphyrins and porphyrazines D Lamoen, M Parrinello Chemical physics letters 248 (5-6), 309-315, 1996 | 69 | 1996 |
First-principles study of possible shallow donors in ZnAlO spinel H Dixit, N Tandon, S Cottenier, R Saniz, D Lamoen, B Partoens Physical Review B—Condensed Matter and Materials Physics 87 (17), 174101, 2013 | 64 | 2013 |
First-principles calculations of 002 structure factors for electron scattering in strained A Rosenauer, M Schowalter, F Glas, D Lamoen Physical Review B—Condensed Matter and Materials Physics 72 (8), 085326, 2005 | 64 | 2005 |
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon M Bercx, N Sarmadian, R Saniz, B Partoens, D Lamoen Physical Chemistry Chemical Physics 18 (30), 20542-20549, 2016 | 63 | 2016 |
Native point defects in CuIn 1− x Ga x Se 2: hybrid density functional calculations predict the origin of p-and n-type conductivity J Bekaert, R Saniz, B Partoens, D Lamoen Physical Chemistry Chemical Physics 16 (40), 22299-22308, 2014 | 63 | 2014 |
Temperature-dependent Debye–Waller factors for semiconductors with the wurtzite-type structure M Schowalter, A Rosenauer, JT Titantah, D Lamoen Acta Crystallographica Section A: Foundations of Crystallography 65 (3), 227-231, 2009 | 55 | 2009 |