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1

Can europium atoms form luminescent centres in diamond: A combined theoretical–experimental study

Vanpoucke, Danny E.P., Nicley, Shannon S., Raymakers, Jorne, Maes, Wouter, Haenen, Ken

Journal:

Diamond and Related Materials

Year:

2019

Language:

english

File:

PDF, 18.04 MB

english, 2019

2

Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers

Rouzbahani, Rozita, Nicley, Shannon S., Vanpoucke, Danny E.P., Lloret, Fernando, Pobedinskas, Paulius, Araujo, Daniel, Haenen, Ken

Journal:

Year:

2021

File:

PDF, 6.44 MB

2021

3

New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH 3 , −CF 3 , −OH, −OCH 3 ): Synthesis, Characterization, and CO 2 Adsorption Properties

Biswas, Shyam, Vanpoucke, Danny E. P., Verstraelen, Toon, Vandichel, Matthias, Couck, Sarah, Leus, Karen, Liu, Ying-Ya, Waroquier, Michel, Van Speybroeck, Veronique, Denayer, Joeri F. M., Van Der Voor

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.01 MB

english, 2013

4

Models and simulations in material science: two cases without error bars

Sylvia Wenmackers, Danny E. P. Vanpoucke

Journal:

Statistica Neerlandica

Year:

2012

Language:

english

File:

PDF, 952 KB

english, 2012

5

Extending Hirshfeld-I to bulk and periodic materials

Danny E. P. Vanpoucke, Patrick Bultinck, Isabel Van Driessche

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 845 KB

english, 2012

6

Tuning of CeO2 buffer layers for coated superconductors through doping

Danny E.P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Patrick Bultinck, Isabel Van Driessche

Journal:

Applied Surface Science

Year:

2012

Language:

english

File:

PDF, 308 KB

english, 2012

7

Reply to ‘comment on “extending Hirshfeld-I to bulk and periodic materials”’

Vanpoucke, Danny E. P., Van Driessche, Isabel, Bultinck, Patrick

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 265 KB

english, 2013

8

Aliovalent doping of CeO 2 : DFT study of oxidation state and vacancy effects

Vanpoucke, Danny E. P., Bultinck, Patrick, Cottenier, Stefaan, Van Speybroeck, Veronique, Van Driessche, Isabel

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

9

Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1−xOδ epitaxial layers

Narayanan, Vyshnavi, Lommens, Petra, De Buysser, Klaartje, Vanpoucke, Danny E. P., Huehne, Ruben, Molina, Leopoldo, Van Tendeloo, Gustaaf, Van Der Voort, Pascal, Van Driessche, Isabel

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 729 KB

english, 2012

10

Pt-induced nanowires on Ge(001): A density functional theory study

Vanpoucke, Danny E. P., Brocks, Geert

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 3.58 MB

english, 2010

11

Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study

Vanpoucke, Danny E. P., Brocks, Geert

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 403 KB

english, 2008

12

CO adsorption on Pt-induced Ge nanowires

Vanpoucke, Danny E. P., Brocks, Geert

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.56 MB

english, 2010

13

Density functional theory study of Pt-induced Ge(001) reconstructions

Vanpoucke, Danny E. P., Brocks, Geert

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.13 MB

english, 2010

14

Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment

Vanpoucke, Danny E P

Journal:

Journal of Physics Condensed Matter

Year:

2014

Language:

english

File:

PDF, 4.13 MB

english, 2014

15

Convergence of Atomic Charges with the Size of the Enzymatic Environment

Vanpoucke, Danny E. P., Oláh, Julianna, De Proft, Frank, Van Speybroeck, Veronique, Roos, Goedele

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 1.14 MB

english, 2015

16

The Formation of Self-Assembled Nanowire Arrays on Ge(001): a DFT Study of Pt Induced Nanowire Arrays

Vanpoucke, Danny Eric Paul, Brocks, Geert

Journal:

MRS Proceedings

Year:

2009

Language:

english

File:

PDF, 453 KB

english, 2009

17

Comment on ‘Europium doping induced symmetry deviation and its impact on the second harmonic generation of doped ZnO nanowires’

Vanpoucke, Danny E P

Journal:

Year:

2014

Language:

english

File:

PDF, 757 KB

english, 2014

18

Rationality: a social-epistemology perspective

Wenmackers, Sylvia, Vanpoucke, Danny E. P., Douven, Igor

Journal:

Frontiers in Psychology

Year:

2014

Language:

english

File:

PDF, 2.45 MB

english, 2014

19

Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework

Vanpoucke, Danny E. P., Lejaeghere, Kurt, Van Speybroeck, Veronique, Waroquier, Michel, Ghysels, An

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.31 MB

english, 2015

20

Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

Hendrickx, Kevin, Vanpoucke, Danny E. P., Leus, Karen, Lejaeghere, Kurt, Van Yperen-De Deyne, Andy, Van Speybroeck, Veronique, Van Der Voort, Pascal, Hemelsoet, Karen

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.78 MB

english, 2015

21

First-Principles Study of Antisite Defect Configurations in ZnGa 2 O 4 :Cr Persistent Phosphors

De Vos, Arthur, Lejaeghere, Kurt, Vanpoucke, Danny E. P., Joos, Jonas J., Smet, Philippe F., Hemelsoet, Karen

Journal:

Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 2.43 MB

english, 2016

22

A Flexible Photoactive Titanium Metal-Organic Framework Based on a [Ti IV3 (μ 3 -O)(O) 2 (COO) 6 ] Cluster

Bueken, Bart, Vermoortele, Frederik, Vanpoucke, Danny E. P., Reinsch, Helge, Tsou, Chih-Chin, Valvekens, Pieterjan, De Baerdemaeker, Trees, Ameloot, Rob, Kirschhock, Christine E. A., Van Speybroeck, V

Journal:

Angewandte Chemie

Year:

2015

Language:

english

File:

PDF, 2.68 MB

english, 2015

23

A Flexible Photoactive Titanium Metal-Organic Framework Based on a [Ti IV3 (μ 3 -O)(O) 2 (COO) 6 ] Cluster

Bueken, Bart, Vermoortele, Frederik, Vanpoucke, Danny E. P., Reinsch, Helge, Tsou, Chih-Chin, Valvekens, Pieterjan, De Baerdemaeker, Trees, Ameloot, Rob, Kirschhock, Christine E. A., Van Speybroeck, V

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 2.70 MB

english, 2015

24

Linker Functionalization in MIL-47(V)-R Metal–Organic Frameworks: Understanding the Electronic Structure

Vanpoucke, Danny E. P.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.41 MB

english, 2017

25

Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride: a combined theoretical and experimental study

Rounaghi, Seyyed Amin, Vanpoucke, Danny E. P., Eshghi, Hossein, Scudino, Sergio, Esmaeili, Elaheh, Oswald, Steffen, Eckert, Jürgen

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.82 MB

english, 2017

26

Revisiting the Neutral C-Vacancy in Diamond: Localization of Electrons through DFT+U

Vanpoucke, Danny E.P., Haenen, Ken

Journal:

Diamond and Related Materials

Year:

2017

Language:

english

File:

PDF, 3.29 MB

english, 2017

27

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 E.P., Eshghi, Hossein, Scudino, Sergio, Esmaeili, Elaheh, Oswald, Steffen, Eckert, Jürgen

Journal:

Journal of Alloys and Compounds

Year:

2017

Language:

english

File:

PDF, 1.87 MB

english, 2017

28

Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles

Vanpoucke, Danny E P, Jaeken, Jan W, De Baerdemacker, Stijn, Lejaeghere, Kurt, Van Speybroeck, Veronique

Journal:

Beilstein Journal of Nanotechnology

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

29

Synthesis, characterization and thermodynamic stability of nanostructured ε-iron carbonitride powder prepared by a solid-state mechanochemical route

Rounaghi, Seyyed Amin, Vanpoucke, Danny E.P., Esmaeili, Elaheh, Scudino, Sergio, Eckert, Jürgen

Journal:

Journal of Alloys and Compounds

Year:

2018

Language:

english

File:

PDF, 1.23 MB

english, 2018

30

Predicting partial atomic charges in siliceous zeolites

Wolffis, Jarod J., Vanpoucke, Danny E.P., Sharma, Amit, Lawler, Keith V., Forster, Paul M.

Journal:

Microporous and Mesoporous Materials

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

31

UV-Curable Biobased Polyacrylates Based on a Multifunctional Monomer Derived from Furfural

Stouten, Jules, Vanpoucke, Danny E. P., Van Assche, Guy, Bernaerts, Katrien V.

Journal:

Year:

2020

Language:

english

File:

PDF, 4.32 MB

english, 2020

32

Influence of diamond crystal orientation on the interaction with biological matter

Damle, Viraj, Wu, Kaiqi, De Luca, Oreste, OrtÃ-CasaÃ±, Natalia, Norouzi, Neda, Morita, Aryan, de Vries, Joop, Kaper, Hans, Zuhorn, Inge S., Eisel, Ulrich, Vanpoucke, Danny E.P., Rudolf, Petra, Schirh

Journal:

Year:

2020

File:

PDF, 2.29 MB

2020

33

Partitioning the vibrational spectrum: Fingerprinting defects in solids

Vanpoucke, Danny E.P.

Journal:

Computational Materials Science

Year:

2020

File:

PDF, 1.82 MB

2020

34

Small data materials design with machine learning: When the average model knows best

Vanpoucke, Danny E. P., van Knippenberg, Onno S. J., Hermans, Ko, Bernaerts, Katrien V., Mehrkanoon, Siamak

Journal:

Journal of Applied Physics

Year:

2020

File:

PDF, 2.56 MB

2020