Right arrow Publications
Published
2014
  • Aliovalent Doping of CeO2: DFT study of Valence and Vacancy effects
    Danny E. P. Vanpoucke, Patrick Bultinck, Stefaan Cottenier, Veronique Van Speybroeck, and Isabel Van Driessche
    J. Mater. Chem. A
    doi: 10.1039/C4TA02449D {IF(2013)=6.626}
     
  • Rationality: A Social-Epistemology Perspective
    Sylvia Wenmackers, Danny E. P. Vanpoucke, and Igor Douven
    Front. Psychol. 5, 581 (14 pages) (2014)
    doi: 10.3389/fpsyg.2014.00581 {IF(2013)=2.843}
     
  • Modeling 1D structures on semiconductor surfaces: Synergy of theory and experiment.
    Danny E. P. Vanpoucke
    J. Phys.: Condens. Matter 26, 133001 (2014), (commissioned Topical Review)
    doi: 10.1088/0953-8984/26/13/133001 {IF(2013)=2.223}
     
  • Tetravalent Doping of CeO2: The impact of valence electron character on group IV dopant influence
    Danny E. P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Isabel Van Driessche, and Patrick Bultinck,
    J. Am. Ceram. Soc. 97(1), 258-266 (2014),
    doi: 10.1111/jace.12650 {IF(2013)=2.428}
      <JAmCerS>
     
2013
  • New Functionalized Metal-Organic Frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): Synthesis, Characterization and CO2 Adsorption Properties
    Shyam Biswas, Danny E. P. Vanpoucke, Toon Verstraelen, Matthias Vandichel, Sarah Couck, Karen Leus, Ying-Ya Liu, Michel Waroquier, Veronique Van Speybroeck, Joeri F. M. Denayer, and Pascal Van Der Voort
    J. Phys. Chem. C 117(44), 22784-22796 (2013),
    doi: 10.1021/jp406835n {IF(2013)=4.835}
      <JPCC>
     
  • Cover Image of Journal of Computational Chemistry
    Danny E. P. Vanpoucke
    J. Comput. Chem. 34 (5), i-ii (2013),
    doi: 10.1002/jcc.23239 {IF(2013)=3.601}
     
  • Reply to 'Comment on "Extending Hirshfeld-I to bulk and periodic materials" '
    Danny E. P. Vanpoucke, Isabel Van Driessche, and Patrick Bultinck
    J. Comput. Chem. 34 (5), 422-427 (2013),
    doi: 10.1002/jcc.23193 {IF(2013)=3.601}
     
  • Extending Hirshfeld-I to bulk and periodic materials
    Danny E. P. Vanpoucke, Patrick Bultinck, and Isabel Van Driessche
    J. Comput. Chem. 34 (5), 405-417 (2013),
    doi: 10.1002/jcc.23088 {IF(2013)=3.601}
     
2012
  • Investigation of tunable buffer layers for coated superconductors:from solid state physics to quantum chemistry
    Danny E. P. Vanpoucke
    Ph.D. Thesis at Ghent University, Belgium (2012)
     
  • Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1- xOδ epitaxial layers
    Vyshnavi Narayanan, Petra Lommens, Klaartje De Buysser, Danny E.P. Vanpoucke, Ruben Huehne, Leopoldo Molina, Gustaaf Van Tendeloo , Pascal Van Der Voort, Isabel Van Driessche,
    J. Mater. Chem. 22, 8476 (2012),
    doi:10.1039/C2JM15752G {IF(2012)=6.101}
     
  • Models and simulations in material science: two cases without error bars
    Sylvia Wenmackers and Danny E. P. Vanpoucke,
    Statistica Neerlandica 66, 339-355 (2012),
    doi:10.1111/j.1467-9574.2011.00519.x, {IF(2012)=0.585}
      <statneer>   (Special issue: All Models Are Wrong...)
     
  • Tuning of CeO2 buffer layers for coated superconductors through doping
    Danny E. P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Patrick Bultinck, and Isabel Van Driessche,
    Appl. Surf. Sci. 260, 32-35 (2012),
    doi:10.1016/j.apsusc.2012.01.032, {IF(2012)=2.112}
      <apsusc>
     
  • Probability of inconsistencies in theory revision, A multi-agent model for updating logically interconnected beliefs under bounded confidence
    S. Wenmackers, D. E. P. Vanpoucke and I. Douven,
    Eur. Phys. J. B 85:44(2012),
    doi:10.1140/e2011-20617-8, {IF(2012)=1.282}
      <epjb>
     
2011
  • Pt Nanowires on Ge(001): Sheep in Wolf's Clothing?
          (Featured Article for the BΦ)
    Danny E. P. Vanpoucke,
    Belgian Physical Society Magazine 3, 11-16 (2011)
      <(local)>
     
  • Density functional theory study of La2Ce2O7: disordered fluorite vs pyrochlore structure
    Danny E. P. Vanpoucke, Patrick Bultinck, Stefaan Cottenier, Veronique Van Speybroeck and Isabel Van Driessche,
    Phys. Rev. B 84, 054110 (2011),
    doi: 10.1103/PhysRevB.84.054110 {IF(2011)=3.691}
      <prb>
2010
  • CO adsorption on Pt-induced Ge nanowires
    D. E. P. Vanpoucke & G. Brocks,
    Phys. Rev. B 81, 235434 (2010),
    doi: 10.1103/PhysRevB.81.235434 {IF(2010)=3.774}
     
  • Pt-induced nanowires on Ge(001): A density functional theory study
    D. E. P. Vanpoucke & G. Brocks,
    Phys. Rev. B 81, 085410 (2010),
    doi: 10.1103/PhysRevB.81.085410 {IF(2010)=3.774}
     
  • Density functional theory study of Pt-induced Ge(001) reconstructions
    D. E. P. Vanpoucke & G. Brocks,
    Phys. Rev. B 81, 035333 (2010),
    doi: 10.1103/PhysRevB.81.035333 {IF(2010)=3.774}
     
2009
  • The formation of Self-Assembled Nanowire Arrays on Ge(001): a DFT study of Pt Induced Nanowire Arrays
    in Computational Nanoscience How to Exploit Synergy between Predictive Simulations and Experiment
    D. E. P. Vanpoucke & G. Brocks,
    (Mater. Res. Soc. Symp. Proc. Volume 1177E, Warrendale, PA, 2009), 1177-Z03-09
    doi: 10.1557/PROC-1177-Z03-09
     
  • Ab Initio study of Pt Induced Nanowires on Ge(001)
    D. E. P. Vanpoucke,
    Ph.D. Thesis at University of Twente, The Netherlands (2009)
    doi: 10.3990/1.9789036528733
    ISBN: 978-90-365-2873-3
     
2008
  • Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study
    D. E. P. Vanpoucke and G. Brocks,
    Phys. Rev. B 77, 241308(R) (2008),
    doi: 10.1103/PhysRevB.77.241308 {IF(2008)=3.322}
     
 
3 dots
In Preparation/Submitted
 
  • Accurate DFT calculations for breathing MOFs
    An Ghysels, Danny E. P. Vanpoucke, Kurt Lejaeghere, and Veronique Van Speybroeck
    XX, YYYY (2014),
    doi: {IF(2012)=ZZ}
      (In preparation)
     
  • The role of atomic reference models in the Hirshfeld-I atoms-in-molecules partitioning scheme
    Danny E. P. Vanpoucke, Sofie Van Damme, Toon verstraelen, Veronique Van Speybroeck and Patrick Bultinck
    XX, YYYY (2014),
    doi: {IF(2012)=ZZ}
      (In preparation)
     
  • How does the enzymatic environment influence atomic charges?
    Goedele Roos, and Danny E. P. Vanpoucke
    XX, YYYY (2014),
    doi: {IF(2012)=ZZ}
      (In preparation)
     
  • Quasi-1D physics in Metal-Organic Frameworks: MIL-47(V) from first principles
    Danny E. P. Vanpoucke, Jan W. Jaeken, Stijn De Baerdemacker, Kurt Lejaeghere and Veronique Van Speybroeck
    Beilstein Journal of Nanotechnology, YYYY (2014),
    doi: {IF(2012)=2.374}
      (submitted)
     
3 dots
Editor
 
  • Computational Nanoscience - How to Exploit Synergy Between Predictive Simulations and Experiment
    Curran Associates, Inc. ( Jun 2010 )
    series: Materials Research Society Symposium Proceedings Volume 1177
    ISBN: 9781617383960
    Editor: Vanpoucke D.