D. Lamoen

发表

Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared

L. Liz‐Marzán, J. Pérez‐Juste, S. Bals, 2017, Nature Communications.

Easily doped p-type, low hole effective mass, transparent oxides

B. Partoens, D. Lamoen, N. Sarmadian, 2016, Scientific Reports.

Exceeding the Shockley–Queisser Limit Within the Detailed Balance Framework

B. Partoens, Marnik Bercx, D. Lamoen, 2017, 1705.07762.

Determination of the mean inner potential in III-V semiconductors, Si and Ge by density functional theory and electron holography.

D. Gerthsen, D. Lamoen, A. Rosenauer, 2006, Ultramicroscopy.

Energy-loss near-edge structure changes with bond length in carbon systems

J. Titantah, D. Lamoen, John John Titantah, 2005 .

Molecular Structure, Crystal Field and Orientational Order in Solid C60

K. Michel, D. Lamoen, 1994 .

Crystal field, orientational order, and lattice contraction in solid C60

K. Michel, D. Lamoen, 1994 .

Orientational Ordering and Molecular Structure in Solid C 60

K. Michel, D. Lamoen, 1993 .

Electron energy-loss spectroscopy and first-principles calculation studies on a Ni–Ti shape memory alloy

D. Schryvers, W. Tirry, D. Lamoen, 2008 .

A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc.

P. Adriaensens, G. Reekmans, A. Hardy, 2017, Physical chemistry chemical physics : PCCP.

Ab initio study of shallow acceptors in bixbyite V2O3

B. Partoens, D. Lamoen, N. Sarmadian, 2015 .

High throughput first-principles calculations of bixbyite oxides for TCO applications.

B. Partoens, D. Lamoen, G. Huyberechts, 2014, Physical chemistry chemical physics : PCCP.

Electronic reconstruction at n-type SrTiO3/LaAlO3 interfaces

S. Bals, J. Verbeeck, G. Tendeloo, 2010 .

Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: Comparison with n-diamond

J. Titantah, D. Lamoen, M. Dadsetani, 2010 .

Effect of charge transfer on EELS integrated cross sections in Mn and Ti oxides

D. Schryvers, K. Jorissen, D. Lamoen, 2004 .

Modified atomic scattering amplitudes and size effects on the 002 and 220 electron structure factors of multiple Ga1−xInxAs/GaAs quantum wells

J. Titantah, D. Lamoen, A. Rosenauer, 2009 .

Effect of Temperature on the 002 Electron Structure Factor and its Consequence for the Quantification of Ternary and Quaternary III–V Crystals

D. Lamoen, A. Rosenauer, M. Schowalter, 2008 .

Effect of Zinc Oxide Modification by Indium Oxide on Microstructure, Adsorbed Surface Species, and Sensitivity to CO

M. Rumyantseva, A. Gaskov, M. Batuk, 2019, Front. Mater..

Identification of a Robust and Durable FeN4Cx Catalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand

A. Bansil, S. Mukerjee, B. Barbiellini, 2022, ACS Catalysis.

0 31 03 58 v 1 1 5 O ct 2 00 3 A new technique for the sp 2 / sp 3 characterisation of carbon materials

J. Titantah, D. Lamoen, 2022 .

A technique for the sp2/sp3 characterisation of carbon materials

J. Titantah, D. Lamoen, 2003, cond-mat/0310358.

First‐principles characterization of amorphous carbon nitride systems: structural and electronic properties

J. Titantah, D. Lamoen, 2006 .

The effect of hydrogen on the electronic and bonding properties of amorphous carbon

J. Titantah, E. Neyts, D. Lamoen, 2006 .

Coupling of orientational and translational modes in solid C60 and C70

K. Michel, D. Lamoen, 1999 .

Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures

J. Titantah, D. Lamoen, M. Schowalter, 2005 .

First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes

B. Partoens, Marnik Bercx, D. Lamoen, 2019, MRS Advances.

Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: Core-hole, curvature,and momentum-transfer orientation effects

J. Titantah, K. Jorissen, D. Lamoen, 2003, cond-mat/0310325.

Approaches to Calculation of Exciton Interaction Energies for a Molecular Dimer

C. Alsenoy, D. Lamoen, I. A. Howard, 2004 .

Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO

B. Partoens, M. Matsubara, D. Lamoen, 2012, 1204.0364.

Charge Localization and Magnetic Correlations in the Refined Structure of U3O7.

M. Verwerft, D. Lamoen, C. Ritter, 2021, Inorganic chemistry.

Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis

S. V. D. Berghe, Andreas C Scheinost, A. Soldatov, 2007 .

Unraveling the Role of Lattice Substitutions on the Stabilization of the Intrinsically Unstable Pb2Sb2O7 Pyrochlore: Explaining the Lightfastness of Lead Pyroantimonate Artists’ Pigments

J. Verbeeck, B. Partoens, C. Pelosi, 2020 .

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4

H. Dixit, S. Cottenier, B. Partoens, 2011 .

Extended homologous series of Sn-O layered systems : a first-principles study

B. Partoens, D. Lamoen, K. Govaerts, 2016, 1606.06187.

Melting temperatures and possible precursor plastic phases of CCl4 and GeI4 as a function of pressure

N. H. March, C. Matthai, D. Lamoen, 2016 .

Local boron environment in B-doped nanocrystalline diamond films.

K. Haenen, J. Verbeeck, S. Turner, 2012, Nanoscale.

First-principles study of possible shallow donors in ZnAl2O4 spinel

H. Dixit, S. Cottenier, B. Partoens, 2013 .

sp3/sp2 characterization of carbon materials from first-principles calculations: X-ray photoelectron versus high energy electron energy-loss spectroscopy techniques

Dirk Lamoen, D. Lamoen, J. T. Titantah, 2005 .

Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure.

J. Titantah, D. Lamoen, A. Rosenauer, 2009, Acta crystallographica. Section A, Foundations of crystallography.

Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor

Dirk Lamoen, Kanda Nivesanond, Anik Peeters, 2008, J. Chem. Inf. Model..

Some Properties of a Model Liquid of C 60 Buckyballs

N. H. March, D. Lamoen, M. López, 2002 .

Interstitial defects in the van der Waals gap of Bi2Se3.

J. Hadermann, Marnik Bercx, D. Lamoen, 2019, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Electronic Band Structures and Native Point Defects of Ultrafine ZnO Nanocrystals.

Yujia Zeng, S. Ruan, B. Partoens, 2015, ACS applied materials & interfaces.

Annealing-Induced Bi Bilayer on Bi2Te3 Investigated via Quasi-Particle-Interference Mapping.

B. Partoens, K. Schouteden, F. Song, 2016, ACS nano.

An emission-potential multislice approximation to simulate thermal diffuse scattering in high-resolution transmission electron microscopy.

J. Titantah, D. Lamoen, A. Rosenauer, 2008, Ultramicroscopy.

The quasiparticle band structure of zincblende and rocksalt ZnO

H. Dixit, B. Partoens, D. Lamoen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon.

B. Partoens, Marnik Bercx, D. Lamoen, 2016, Physical chemistry chemical physics : PCCP.

First-principles study of defects at Σ3 grain boundaries in CuGaSe2

B. Partoens, D. Lamoen, R. Saniz, 2021, 2103.10704.

Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.

Jie Jiang, Ruth Pachter, Francesca Tavazza, 2019, Chemistry of materials : a publication of the American Chemical Society.

Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors.

J. Titantah, D. Lamoen, A. Rosenauer, 2009, Acta crystallographica. Section A, Foundations of crystallography.

An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries.

A. Hardy, A. Abakumov, J. Hadermann, 2020, Dalton transactions.

Graphane- and Fluorographene-Based Quantum Dots

B. Partoens, D. Lamoen, O. Leenaerts, 2013 .

Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions.

A. Nikolaev, B. Partoens, D. Lamoen, 2016, The Journal of chemical physics.

Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions

H. Dixit, B. Partoens, D. Lamoen, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Electronic structure of transparent oxides with the Tran–Blaha modified Becke–Johnson potential

H. Dixit, S. Cottenier, B. Partoens, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Adsorption of potassium and oxygen on graphite: A theoretical study

Dirk Lamoen, B. Persson, D. Lamoen, 1998 .

Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold

D. Gerthsen, D. Lamoen, A. Rosenauer, 2006 .

The effect of temperature on the structural, electronic and optical properties of sp3-rich amorphous carbon

J. Titantah, D. Lamoen, 2008 .

Quasiparticle energies and uniaxial pressure effects on the properties of SnO2

H. Dixit, B. Partoens, D. Lamoen, 2010 .

First-principles study of CO and OH adsorption on in-doped ZnO surfaces

M. Rumyantseva, A. Gaskov, M. Batuk, 2018, Journal of Physics and Chemistry of Solids.

van der Waals bonding and the quasiparticle band structure of SnO from first principles

B. Partoens, D. Lamoen, R. Saniz, 2013 .

Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles

D. Lamoen, John John Titantah, John John Titantah, 2007 .

Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study

M. Sluiter, B. Partoens, D. Lamoen, 2014 .

Structural and electronic properties of defects at grain boundaries in CuInSe2.

B. Partoens, D. Lamoen, R. Saniz, 2017, Physical chemistry chemical physics : PCCP.

Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1?xAs/GaAs quantum wells

J. Titantah, D. Lamoen, A. Rosenauer, 2010 .

Refinement of chemically sensitive structure factors using parallel and convergent beam electron nanodiffraction

K. Tsuda, D. Lamoen, A. Rosenauer, 2010 .

Refinement of the 200 structure factor for GaAs using parallel and convergent beam electron nanodiffraction data.

J. Titantah, K. Tsuda, D. Lamoen, 2009, Ultramicroscopy.

Geometry and electronic structure of porphyrins and porphyrazines

M. Parrinello, D. Lamoen, 1996 .

Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48.

D. Schryvers, W. Tirry, K. Jorissen, 2006, Acta crystallographica. Section B, Structural science.

Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge

N. H. March, D. Lamoen, C.C. Matthai, 2009 .

Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator

B. Barbiellini, B. Partoens, D. Lamoen, 2014 .

Aberration‐corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond

O. Shenderova, J. Verbeeck, S. Turner, 2013 .

A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO

H. Dixit, Y. Xu, B. Partoens, 2013 .

Native point defects in CuIn(1-x)Ga(x)Se2: hybrid density functional calculations predict the origin of p- and n-type conductivity.

B. Partoens, D. Lamoen, R. Saniz, 2014, Physical chemistry chemical physics : PCCP.

Orientational disorder in some molecular solids in relation to the boson peak in glasses

N. H. March, D. Lamoen, 2009 .

Hydrogen impurities and native defects in CdO

B. Partoens, D. Lamoen, R. Saniz, 2011 .

Atomic scale analysis of defect clustering and predictions of their concentrations in UO2+x

P. Labeau, M. Verwerft, D. Lamoen, 2020 .

Crystal field and molecular structure in solid C60

K. Michel, D. Lamoen, 1993 .

Orientational order and disorder in solid C60: theory and diffraction experiments

W. David, K. Michel, D. Lamoen, 1995 .

Valence electronic charge density of distorted C60- monomers in polymerized KC60 and RbC60.

A. Nikolaev, D. Lamoen, V. Popov, 2004, The Journal of chemical physics.

Accurate pseudopotential description of the GW bandstructure of ZnO

Bart Partoens, Hemant Dixit, Rolando Saniz, 2011, Comput. Phys. Commun..

Origin of magnetism and quasiparticles properties in Cr-doped TiO2.

G. Rignanese, T. Rangel, X. Gonze, 2013, Physical review letters.

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

B. Partoens, D. Lamoen, N. Sarmadian, 2016, 1605.05842.

Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors

B. Partoens, Marnik Bercx, D. Lamoen, 2019, Physical Review B.

Bond length variation in Ga1−xInxAs crystals from the Tersoff potential

Marco Schowalter, Dirk Lamoen, Andreas Rosenauer, 2007 .

Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease

C. Alsenoy, D. Lamoen, A. Peeters, 2005 .

First-principles calculations of the mean inner Coulomb potential for sphalerite type II–VI semiconductors

D. Gerthsen, D. Lamoen, A. Rosenauer, 2004 .

Ab initio computation of the mean inner Coulomb potential for technologically important semiconductors

D. Gerthsen, D. Lamoen, A. Rosenauer, 2005 .

Calculation of Debye-Waller Temperature Factors for GaAs

D. Lamoen, A. Rosenauer, M. Schowalter, 2008 .

Measurement of the mean inner potential of ZnO nanorods by transmission electron holography

A. Waag, R. Kling, E. Müller, 2005 .

Doping anatase TiO2 with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study.

B. Partoens, M. Matsubara, D. Lamoen, 2017, Physical chemistry chemical physics : PCCP.

First-principles calculations of 002 structure factors for electron scattering in strained InxGa1−xAs

F. Glas, D. Lamoen, A. Rosenauer, 2005 .

Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite

D. Lamoen, A. Rosenauer, M. Schowalter, 2009 .

Technique for the sp2/sp3 characterization of carbon materials: Ab initio calculation of near-edge structure in electron-energy-loss spectra

D. Lamoen, John John Titantah, John John Titantah, 2004 .

Thermodynamic consistency and integral equations for the liquid structure

N. H. March, F. Leys, D. Lamoen, 2002 .

Analyzing the dispersion of cargo vapors around a ship’s superstructure by means of wind tunnel experiments

W. Jacobs, C. Reynaerts, S. Andries, 2016 .

The role of the VZn-NO-H complex in the p-type conductivity in ZnO.

B. Partoens, D. Lamoen, R. Saniz, 2015, Physical chemistry chemical physics : PCCP.

The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels.

H. Dixit, B. Partoens, D. Lamoen, 2014, Physical chemistry chemical physics : PCCP.

Perovskite transparent conducting oxides: an ab initio study

B. Partoens, D. Lamoen, R. Saniz, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3 as a Cathode Material for Li-Ion Batteries

P. Adriaensens, G. Reekmans, A. Hardy, 2023, ACS Applied Energy Materials.

Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors.

D. Lamoen, M. Schowalter, John John Titantah, 2009, Acta crystallographica. Section A, Foundations of crystallography.

Correction: First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon.

B. Partoens, Marnik Bercx, D. Lamoen, 2016, Physical chemistry chemical physics : PCCP.

Gradient Expansions and Beyond for Stress Tensor and Tangential Pressure Deficit through a Planar Liquid-Vapour Interface

N. H. March, D. Lamoen, 2000 .

Casting light on the darkening of colors in historical paintings.

C. Hogan, M. Cotte, X. Gonze, 2013, Physical review letters.