Browsing by author "Vanpoucke, Danny"
Now showing items 1-15 of 15
-
A combined experimental and theoretical investigation of the Al-Melamine reactive milling system: A mechanistic study towards AlN-based ceramics
Rounaghi, Seyyed Amin; Vanpoucke, Danny; Eshghi, Hossein; Scudino, Sergio; Esmaeili, Elaheh; Oswald, Steffen; Eckert, Jürgen (2017) -
Can europium atoms form luminescent centres in diamond: A combined theoretical-experimental study
Vanpoucke, Danny; Nicley, Shannon; Raymakers, Jorne; Maes, Wouter; Haenen, Ken (2019) -
Computational chemistry experiment possibilities
Szyja, Bartlomiej M.; Vanpoucke, Danny (2018) -
Doping diamond with luminescent centres: the lectronic structure of Ge and Eu defect-complexes
Vanpoucke, Danny; Nicley, Shannon; Bourgeois, Emilie; Nesladek, Milos; Haenen, Ken (2018) -
Experimental and theoretical study on the effect of methane concentration on the properties of heavily boron-doped single crystal diamond layers
Rouzbahani Bayatani, Rozita; Nicley, Shannon; Lloret, Fernando; Pobedinskas, Paulius; Vanpoucke, Danny; Araujo, D.; Haenen, Ken (2019) -
Influence of diamond crystal orientrtion on the interaction with biological matter
Damle, Viraj; Wu, Kaiqi; De Luca, Oreste; Orti-casan, Natalia; Norouzi, Neda; Morita, Aryan; de Vries, Joop; Kaper, Hans; Zuhorn, Inge; Eisel, Ulrich; Vanpoucke, Danny; Rudolf, Petra; Schirhagl, Romana (2020) -
Influence of methane concentration on morphology and electrical properties of highly boron-doped single crystal diamond layers
Rouzbahani Bayatani, Rozita; Nicley, Shannon; Pobedinskas, Paulius; Vanpoucke, Danny; Lloret, Fernando; Araujo, D.; Haenen, Ken (2019) -
Investigation of structural, lectronic and magnetic properties of breathing metal-organic framework MIL-47 (Mn): a first principles approach
Hosseini, Mohammadrezza; Vanpoucke, Danny; Giannozzi, Paolo; Berahman, Masoud; Hadipour, Nasser (2020) -
Luminescent centres in diamond: Ge & Eu defect-complexes
Vanpoucke, Danny; Nicley, Shannon; Bourgeois, Emilie; Nesladek, Milos; Haenen, Ken (2018) -
Mechanochemical synthesis of nanostructured metal nitrides, carbonnitrides and carbon nitride: a combined theoretical and experimental study
Rounaghi, Seyyed Amin; Vanpoucke, Danny; Eshghi, Hossein; Scudino, Sergio; Esmaeli, Elaheh; Oswald, Steffen; Eckert, Jürgen (2017) -
Partitioning the vibrational spectrum: Fingerprinting defects in solids
Vanpoucke, Danny (2020) -
Predicting partial atomic charges in siliceous zeolites
Wolffis, Jarod.J.; Vanpoucke, Danny; Sharma, Amit; Lawler, Keith V.; Forster, Paul M. (2019) -
Revisiting the neutral C-vacancy in diamond: Localization of electrons in DFT
Vanpoucke, Danny; Haenen, Ken (2017) -
Revisiting the neutral C-vanacancy in diamond: Localization of electrons through DFT+U
Vanpoucke, Danny; Haenen, Ken (2017) -
Synthesis characterization and thermodynamic stability of nanostructured e-iron carbonitride powder prepared by a solid-state mechanochemical route
Rounaghi, Seyyed Amin; Vanpoucke, Danny; Esmaeili, Elaheh; Scudino, Sergio; Eckert, Jürgen (2019)