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Adlane Sayede

134
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Presentation

Adlane Sayede received his Ph.D. from Artois University (France) in 2003 for his contribution to the theoretical study of intercalation oxides. In 2005, he became "Maître de Conférences" at Artois University where he completed his Habilitation in 2012. In 2010, he has received a Fellowship Award, from the DAAD, as researcher in the group of Prof. Michael Springborg at the University of Saarland (Germany). In 2016, he was promoted to full professor. His main area of research is theoretical studies of electronic and structural properties of materials, in particular ferroelectric/multiferroic oxides and intermetallic compounds for energy storage. Thereby, his work is concentrate both on the development and on the application of new theoretical methods for treating new properties and/or systems as well as on applying existing methods. His work lies in an interdisciplinary area between chemistry and physics. Adlane SAYEDE is an associate editor of Open Physics, Degruyter Open Edition (formerly Central European Journal of Physics, Springer-Verlag Edition) since 2012. In 2016, he joined the Editorial board of de Frontiers in Chemistry, section: Theoretical and Computational Chemistry.

Publications

Investigation of NLO properties and molecular docking of 3,5-dinitrobenzoic acid with some benzamide derivatives

Nadia Benhalima , Friha Khelfaoui , Fatima Yahia Cherif , Zohra Douaa Benyahlou , Nour El Houda Daho
International Journal of Computational Materials Science and Engineering, 2023, International Journal of Computational Materials Science and Engineering, 13 (2), ⟨10.1142/S2047684123500215⟩
Journal articles hal-04254882v1

Electronic and NLO Performances of Benzohydrazide Derivatives: DFT Investigation and (RDG, AIM) Analysis

N. Benhalima , B. Doumi , O. Kourat , F. Y. Cherif , N. E. Daho
Journal of Computational Biophysics and Chemistry, 2023, Journal of Computational Biophysics and Chemistry, 22 (7), p. 777-794. ⟨10.1142/S2737416523500400⟩
Journal articles hal-04307161v1

Theoretical investigation of the performance of nonlinear optical properties in Push-pull chromophores derivatives of acrylo-azobenzene

M. Boutaleb , B. Doumi , D. Bensaid , K. Guemra , Adlane Sayede
International Journal of Computational Materials Science and Engineering, 2023, International Journal of Computational Materials Science and Engineering, -, ⟨10.1142/S2047684123500355⟩
Journal articles hal-04307175v1

Photoelectrochemical properties of copper pyrovanadate (Cu2V2O7) thin films synthesized by pulsed laser deposition

Blandine Fontaine , Youssef Benrkia , Jean-François Blach , Christian Mathieu , Pascal Roussel
RSC Advances, 2023, 13 (18), pp.12161-12174. ⟨10.1039/D3RA01509B⟩
Journal articles hal-04092701v1
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Curated dataset of association constants between a cyclodextrin and a guest for machine learning

Gökhan Tahil , Fabien Delorme , Daniel Le Berre , Éric Monflier , Adlane Sayede
Chemical Data Collections, 2023, 45, pp.101022. ⟨10.1016/j.cdc.2023.101022⟩
Journal articles hal-04056166v1
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Crystal structure, magnetism, electronic structure and effect of electron doping in ThCrAsN: An ab-initio study

Smritijit Sen , Najwa Harrati , Adlane Sayede , Houria Kabbour
Solid State Sciences, 2023, 146, pp.107368. ⟨10.1016/j.solidstatesciences.2023.107368⟩
Journal articles hal-04386489v1
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Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations

Mehdi Oubahmane , Ismail Hdoufane , Christelle Delaite , Adlane Sayede , Driss Cherqaoui
Pharmaceuticals, 2023, Pharmaceuticals, 16 (4), pp.608. ⟨10.3390/ph16040608⟩
Journal articles hal-04143237v1
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Nanostructured BaTi1-xSnxO3 ferroelectric materials for electrocaloric applications and energy performance

M. Benyoussef , T. Mura , S. Saitzek , F. Azrour , Jean-François Blach
Current Applied Physics, 2022, 38, pp.59-66. ⟨10.1016/j.cap.2022.03.012⟩
Journal articles hal-03689640v1

Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials

Bendouma Doumi , Miloud Boutaleb , Allel Mokaddem , Djillali Bensaid , Abdelkader Tadjer
Optical and Quantum Electronics, 2022, 54 (11), pp.747. ⟨10.1007/s11082-022-04112-w⟩
Journal articles hal-03781807v1

Molecular DFT Investigation on the Inclusion Complexation of Benzo[a]pyrene with γ-Cyclodextrin

Nadia Mesri , Youghourta Belhocine , Nabil Messikh , Adlane Sayede , Benali Mouffok
Macroheterocycles, 2021, Macroheterocycles, 14 (2), pp.164-170. ⟨10.6060/mhc210337m⟩
Journal articles hal-04442611v1
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Theoretical investigation on the improper hydrogen bond in κ-carrabiose⋯Y (Y = HF, HCl, HBr, NH3, H2O, and H2S) complexes

Fodil Rachida , Adlane Sayede , Sekkal-Rahal Majda
Journal of Molecular Modeling, 2021, 27 (10), ⟨10.1007/s00894-021-04904-z⟩
Journal articles hal-03350951v1
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Pressure dependent half-metallic ferromagnetism in inverse Heusler alloy Fe2CoAl: a DFT+U calculations

D. Rai , L Lalrinkima , L Lalhriatzuala , L. Fomin , I. Malikov
RSC Advances, 2020, 10 (73), pp.44633-44640. ⟨10.1039/d0ra07543d⟩
Journal articles hal-03205843v1

Physical Properties of RhCrZ (Z= Si, Ge, P, As) Half-Heusler Compounds: A First-Principles Study

B. Amrani , A. Chahed , M. Rahmoune , K. Benkaddour , Adlane Sayede
Jordan Journal of Physics, 2020, Jordan Journal of Physics, 13 (1), pp.29-46. ⟨10.47011/13.1.3⟩
Journal articles hal-03707031v1

Recent Insights Into Electronic Performance, Magnetism and Exchange Splittings in the Cr-substituted CaO

Bendouma Doumi , Allel Mokaddem , Abdelkader Tadjer , Adlane Sayede
Frontiers in Chemistry, 2020, 8, ⟨10.3389/fchem.2020.00526⟩
Journal articles hal-02896065v1
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Structure of the water-splitting photocatalyst oxysulfide α-LaOInS2 and ab initio prediction of new polymorphs

Houria Kabbour , Adlane Sayede , Sébastien Saitzek , Gauthier Lefevre , Laurent Cario
Chemical Communications, 2020, 56 (11), pp.1645-1648. ⟨10.1039/C9CC09797J⟩
Journal articles hal-02485636v1
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Ferromagnetism, half-metallicity and spin-polarised electronic structures characterisation insights in Ca1− xTixO

Khedidja Korichi , Bendouma Doumi , Allel Mokaddem , Adlane Sayede , Abdelkader Tadjer
Philosophical Magazine, 2020, 100 (9), pp.1172-1190. ⟨10.1080/14786435.2020.1723812⟩
Journal articles hal-03205778v1

Structural, magneto-electronic and thermophysical properties of the new d(0) quaternary heusler compounds ksrcz (z =p, as, sb)

A. Taleb , A. Chahed , M. A. Boukli , H. Rozale , B. Amrani
Revista Mexicana de Fisica, 2020, Revista Mexicana de Fisica, 66, pp.265-272. ⟨10.31349/RevMexFis.66.265⟩
Journal articles hal-04442568v1

Investigating structure, magneto-electronic, and thermoelectric properties of the new d(0) quaternary Heusler compounds RbCaCZ (Z = P, As, Sb) from first principle calculations

S. Gheriballah , B. Bouabdellah , A. Oughilas , M. A. Boukli , M. Rahmoune
Indian Journal of Pure and Applied Physics, 2020, Indian Journal of Pure and Applied Physics, 58, pp.818-824. ⟨10.56042/ijpap.v58i11.32390⟩
Journal articles hal-04438023v1
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Electronic structures and magnetic performance related to spintronics of Sr0.875Ti0.125S

Ali Bourega , Bendouma Doumi , Allel Mokaddem , Adlane Sayede , Abdelkader Tadjer
Optical and Quantum Electronics, 2019, 51 (12), ⟨10.1007/s11082-019-2107-2⟩
Journal articles hal-02449162v1
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Investigation of the Substituting Effect of Chromium on the Electronic Structures and the Half-Metallic Ferromagnetic Properties of BaO

Habiba Lakhdari , Bendouma Doumi , Allel Mokaddem , Adlane Sayede , João Pedro Araújo
Journal of Superconductivity and Novel Magnetism, 2019, 32 (6), pp.1781-1790. ⟨10.1007/s10948-018-4878-2⟩
Journal articles hal-02449205v1
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Theoretical investigation of electronic performance, half-metallicity, and magnetic properties of Cr-substituted BaTe

Khelifa Berriah , Bendouma Doumi , Allel Mokaddem , Mohammed Elkeurti , Adlane Sayede
Journal of Computational Electronics, 2018, 17 (3), pp.909-919. ⟨10.1007/s10825-018-1192-y⟩
Journal articles hal-02061304v1
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Microstructure and oxidation resistance of relaxed epitaxial nickel thin films grown on (100)- and (110)-SrTiO3 substrates by pulsed laser deposition

Gauthier Lefevre , Sébastien Saitzek , Florent Blanchard , Anthony Ferri , Pascal Roussel
CrystEngComm, 2018, 20 (34), pp.5061 - 5073. ⟨10.1039/C8CE00797G⟩
Journal articles hal-01862683v1

First‐Principle Predictions of Electronic Properties and Half‐Metallic Ferromagnetism in Vanadium‐Doped  Rock‐Salt SrO

Mohamed Berber , Bendouma Doumi , Allel Mokaddem , Yesim Mogulkoc , Adlane Sayede
Journal of Electronic Materials, 2018, ⟨10.1007/s11664-017-5793-1⟩
Journal articles hal-01667829v1
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Hydrogen storage in MgX (X = Cu and Ni) systems - is there still news?

Gauthier Lefevre , Sébastien Saitzek , Rachel Desfeux , Nathalie Kunkel , Adlane Sayede
Journal of Power Sources, 2018, 402, pp.394 - 401. ⟨10.1016/j.jpowsour.2018.09.043⟩
Journal articles hal-01880947v1
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Electron–Phonon Coupling in Luminescent Europium-Doped Hydride Perovskites Studied by Luminescence Spectroscopy, Inelastic Neutron Scattering, and First-Principles Calculations

Gauthier Lefevre , Alexander Herfurth , Adlane Sayede , Thomas Wylezich , Sacha Welinski
Journal of Physical Chemistry C, 2018, 122 (19), pp.10501 - 10509. ⟨10.1021/acs.jpcc.8b01011⟩
Journal articles hal-01808502v1

Investigation of electronic structure and half‐metallic ferromagnetic behavior with large half‐metallic gap in Sr<inf>1</inf><inf>‐</inf><inf>x</inf>V<inf>x</inf>O

M. Berber , B. Doumi , A. Mokaddem , Y. Mogulkoc , Adlane Sayede
Journal of Computational Electronics, 2017, Journal of Computational Electronics, 16 (33), pp.542-547. ⟨10.1007/s10825-017-1038-z⟩
Journal articles hal-01668290v1

First‐Principle Study of Electronic and Half‐Metallic Ferromagnetic Properties of Vanadium (V)‐Doped Cubic BP and InP

Miloud Boutaleb , Bendouma Doumi , Allel Mokaddem , Adlane Sayede , Abdelkader Tadjer
Journal of Superconductivity and Novel Magnetism, 2017, 30 (10), pp.2855-2864. ⟨10.1007/s10948-017-4131-4⟩
Journal articles hal-01667827v1

Couches minces écologiquement acceptables pour l’énergie

Rachel Desfeux , A. Ferri , S. Saitzek , Adlane Sayede
L'Actualité Chimique, 2017, Actualite Chimique, 420420, pp.29-30
Journal articles hal-01667828v1

Testing the CP‐correction procedure with different DFT methods on H‐bonding complexes of ?‐carrabiose with water molecules

R. Fodil , M. Sekkal‐rahal , Adlane Sayede
Journal of Molecular Modeling, 2017, Journal of Molecular Modeling, 23 (11), ⟨10.1007/s00894-016-3199-2⟩
Journal articles hal-01668289v1

Chimie des matériaux et énergie

Jean-Christophe Hornez , Franck Bouchart , Philippe Champagne , Christian Courtois , Claudine Follet-Houttemane
L'Actualité Chimique, 2017, 420, pp.29-38
Journal articles hal-03077747v1

The Doping Effect on Ferromagnetic Arrangement and Electronic Structure of Cubic AlAs with Low Concentration of 3d (V, Cr, and Mn) Impurities

Miloud Boutaleb , Bendouma Doumi , Allel Mokaddem , Adlane Sayede , Abdelkader Tadjer
Journal of Superconductivity and Novel Magnetism, 2017, 31 (7), pp.2157-2163. ⟨10.1007/s10948-017-4461-2⟩
Journal articles hal-04303533v1

Testing the CP-correction procedure with different DFT methods on H-bonding complexes of κ-carrabiose with water molecules

Rachida Fodil , Majda Sekkal-Rahal , Adlane Sayede
Journal of Molecular Modeling, 2017, 23 (1)
Journal articles hal-02000554v1

Half‐metallic ferromagnetic properties of Cr‐ and V‐doped AlP semiconductors

M. Boutaleb , B. Doumi , A. Tadjer , Adlane Sayede
Journal of Magnetism and Magnetic Materials, 2016, 397, pp.132-138. ⟨10.1016/j.jmmm.2015.08.087⟩
Journal articles hal-01667834v1

Electronic and Ferromagnetic Properties of 3d(V)‐Doped (BaS) Barium Sulfide

Zoubida Addadi , Bendouma Doumi , Allel Mokaddem , Mohammed Elkeurti , Adlane Sayede
Journal of Superconductivity and Novel Magnetism, 2016, 30 (4), pp.917-923. ⟨10.1007/s10948-016-3894-3⟩
Journal articles hal-01667832v1

Ab‐initio study of structural, elastic, thermal, electronic and magnetic properties of quaternary Heusler alloys CoMnCrZ (Z = Al, As, Si, Ge)

M.W. Mohamedi , A. Chahed , A. Amar , H. Rozale , A. Lakdja
The European Physical Journal B: Condensed Matter and Complex Systems, 2016, European Physical Journal B, 89 (1212), ⟨10.1140/epjb/e2016-70183-6⟩
Journal articles hal-01668293v1

The effect of pressure and alloying on half‐metallicity of quaternary Heusler compounds CoMnYZ (Z = Al, Ga, and In)

M. Rahmoune , A. Chahed , A. Amar , H. Rozale , A. Lakdja
Materials Science‐ Poland, 2016, Materials Science‐Poland, 34 (44), pp.905-915. ⟨10.1515/msp-2016-0120⟩
Journal articles hal-01668292v1

First‐principle calculations of electronic and ferromagnetic properties of Al1-xVxSb

Asmaa Zerouali , Allel Mokaddem , Bendouma Doumi , Fethallah Dahmane , Mohammed Elkeurti
Journal of Computational Electronics, 2016, 15 (4), pp.1255-1262. ⟨10.1007/s10825-016-0912-4⟩
Journal articles hal-01667830v1

A self‐emulsifying catalytic system for the aqueous biphasic hydroformylation of triglycerides

T. Vanbésien , Adlane Sayede , E. Monflier , F. Hapiot
Catalysis Science & Technology, 2016, 6 (9), pp.3064-3073. ⟨10.1039/c5cy01758k⟩
Journal articles hal-01667831v1

First‐principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (Z = Si, Ge, Sn)

K. Benkaddour , A. Chahed , A. Amar , H. Rozale , A. Lakdja
Journal of Alloys and Compounds, 2016, Journal of Alloys and Compounds, 687, pp.211-220. ⟨10.1016/j.jallcom.2016.06.104⟩
Journal articles hal-01668295v1

Ab‐Initio Investigation of Nowotny Chimney Ladder Silicide Os2Si3 Using the Modified BJ Potential

A. Cherifi , D. Mesri , A. Amar , S. Laksari , Adlane Sayede
Zeitschrift für Physikalische Chemie, 2016, Zeitschrift fur Physikalische Chemie, 230 (5-75-7), pp.1015-1028. ⟨10.1515/zpch-2015-0711⟩
Journal articles hal-01668291v1

A Novel Theoretical Investigation of Electronic Structure and Half‐Metallic Ferromagnetism in 3d (V)‐Doped InP for Spintronic Applications

Yacine Cherfi , Allel Mokaddem , Djillali Bensaid , Bendouma Doumi , Adlane Sayede
Journal of Superconductivity and Novel Magnetism, 2016, 29 (7), pp.1813-1819. ⟨10.1007/s10948-016-3462-x⟩
Journal articles hal-01667833v1

Crystal structure and hydrogenation properties of Pd<inf>5</inf>As Dedicated to Prof. Bernd Harbrecht on the occasion of his 65th birthday.

H. Kohlmann , M. Vasseur , Adlane Sayede , G. Lefevre , J.M. Sander
Journal of Alloys and Compounds, 2016, Journal of Alloys and Compounds, 664, pp.256-265. ⟨10.1016/j.jallcom.2015.12.039⟩
Journal articles hal-01668294v1

Half‐Metallic Ferromagnetic Property Related to Spintronic Applications in 3d (V, Cr, and Mn)‐Doped GaP DMSs

B. Doumi , A. Mokaddem , Adlane Sayede , M. Boutaleb , A. Tadjer
Journal of Superconductivity and Novel Magnetism, 2015, Journal of Superconductivity and Novel Magnetism, 28 (1010), pp.3163-3172. ⟨10.1007/s10948-015-3148-9⟩
Journal articles hal-01668298v1

Insight on the ferroelectric properties in a (BiFeO3)2(SrTiO3)4 superlattice from experiment and ab initio calculations

E. Bruyer , Adlane Sayede , A. Ferri , R. Desfeux , R. V. K. Mangalam
Applied Physics Letters, 2015, 107 (4), pp.042904. ⟨10.1063/1.4927600⟩
Journal articles hal-01667835v1

A novel theoretical design of electronic structure and half‐metallic ferromagnetism in the 3d (V)‐doped rock‐salts SrS, SrSe, and SrTe for spintronics

Bendouma Doumi , Allel Mokaddem , Fethallah Dahmane , Adlane Sayede , Abdelkader Tadjer
RSC Advances, 2015, 5 (112), pp.92328-92334. ⟨10.1039/c5ra16507e⟩
Journal articles hal-01667836v1

First‐principle investigation of half‐metallic ferromagnetism in octahedrally bonded Cr‐doped rock‐salt SrS, SrSe, and SrTe

B. Doumi , A. Mokaddem , L. Temimi , N. Beldjoudi , M. Elkeurti
The European Physical Journal B: Condensed Matter and Complex Systems, 2015, European Physical Journal B, 88 (44), ⟨10.1140/epjb/e2015-50746-9⟩
Journal articles hal-01668296v1

First‐principles investigations on ferromagnetic behaviour of Be<inf>1‐x</inf>V<inf>x</inf>Z (Z = S, Se and Te) (x = 0.25)

B. Doumi , A. Mokaddem , Adlane Sayede , F. Dahmane , Y. Mogulkoc
Superlattices and Microstructures, 2015, Superlattices and Microstructures, 88, pp.139-149. ⟨10.1016/j.spmi.2015.09.008⟩
Journal articles hal-01668297v1

Ab‐initio study of half‐metallic ferromagnetism in the XCsSr (X=C, Si, Ge, and Sn) half‐Heusler compounds

H. Rozale , M. Khetir , A. Amar , A. Lakdja , Adlane Sayede
Superlattices and Microstructures, 2014, 74, pp.146-155. ⟨10.1016/j.spmi.2014.06.017⟩
Journal articles hal-01667840v1

First principles study of the electronic structures and magnetic properties of transition metal‐doped cubic indium nitride

F. Dahmane , A. Tadjer , B. Doumi , D. Mesri , H. Aourag
Materials Science in Semiconductor Processing, 2014, Materials Science in Semiconductor Processing, 21 (11), pp.66-73. ⟨10.1016/j.mssp.2014.01.037⟩
Journal articles hal-01668299v1

Theoretical Predictions of Electronic Structure and Half‐Metallic Ferromagnetism in Al1−x Mn x P Diluted Magnetic Semiconductors

M. Boutaleb , B. Doumi , Adlane Sayede , A. Tadjer , A. Mokaddem
Journal of Superconductivity and Novel Magnetism, 2014, 28 (1), pp.143-150. ⟨10.1007/s10948-014-2825-4⟩
Journal articles hal-01667837v1

ELASTIC, ELECTRONIC AND THERMODYNAMIC PROPERTIES OF Rh3X(X = Zr, Nb and Ta) INTERMETALLIC COMPOUNDS

M. Ould Kada , T. Seddik , Adlane Sayede , R. Khenata , A. Bouhemadou
International Journal of Modern Physics B, 2014, 28 (03), pp.1450006. ⟨10.1142/s0217979214500064⟩
Journal articles hal-01667839v1

Investigations of Electronic Structure and Half‐Metallic Ferromagnets in Cr‐Doped Zinc‐Blende BeS Semiconductor

A. Mokaddem , B. Doumi , Adlane Sayede , D. Bensaid , A. Tadjer
Journal of Superconductivity and Novel Magnetism, 2014, 28 (1), pp.157-164. ⟨10.1007/s10948-014-2828-1⟩
Journal articles hal-01667841v1

Origin of ferromagnetism in the half‐Heusler XRbCs compounds (X=N, P and As)

Abdelaziz Lakdja , Habib Rozale , Adlane Sayede , Abbes Chahed
Journal of Magnetism and Magnetic Materials, 2014, 354, pp.235-238. ⟨10.1016/j.jmmm.2013.11.010⟩
Journal articles hal-01667838v1

First‐Principles Investigation of Half‐metallic Ferromagnetism in V‐doped BeS, BeSe, and BeTe

B. Doumi , A. Tadjer , F. Dahmane , A. Djedid , A. Yakoubi
Journal of Superconductivity and Novel Magnetism, 2013, 27 (2), pp.293-300. ⟨10.1007/s10948-013-2401-3⟩
Journal articles hal-01667842v1

External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

T. Seddik , R. Khenata , A. Bouhemadou , N. Guechi , Adlane Sayede
Physica B: Condensed Matter, 2013, 428, pp.78-88. ⟨10.1016/j.physb.2013.07.014⟩
Journal articles hal-01667845v1

Electronic and optical properties of layered RE<inf>2</inf>Ti <inf>2</inf>O<inf>7</inf> (RE Ce and Pr) from first principles

Adlane Sayede , R. Khenata , A. Chahed , O. Benhelal
Journal of Applied Physics, 2013, Journal of Applied Physics, 113 (1717), ⟨10.1063/1.4803124⟩
Journal articles hal-01668300v1

First‐principle studies of the structural, electronic and optical properties of the intermetallics semiconducting compounds RuAl <inf>2</inf>, RuGa <inf>2</inf> and OsAl <inf>2</inf>

S. Laksari , R. Khatir , H. Rozale , R. Mebsout , A. Mokadem
Computational Materials Science, 2012, Computational Materials Science, 61, pp.20-26. ⟨10.1016/j.commatsci.2012.02.040⟩
Journal articles hal-01668303v1

Density functional conformational study of 2‐O‐sulfated 3,6 anhydro‐α‐D‐galactose and of neo‐κ‐ and ι‐carrabiose molecules in gas phase and water

Noreya Bestaoui‐berrekhchi‐berrahma , Philippe Derreumaux , Majda Sekkal‐rahal , Michael Springborg , Adlane Sayede
Journal of Molecular Modeling, 2012, 19 (2), pp.893-904. ⟨10.1007/s00894-012-1621-y⟩
Journal articles hal-01667846v1

Characterization of  $\beta$‐cyclodextrins and isosorbide diesters self‐assemblies: Towards new renewable surfactants

F. Mouria‐bellabdelli , J. Potier , M. Bouterfas , J.‐p. Cavrot , Adlane Sayede
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2012, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 415, pp.380-387. ⟨10.1016/j.colsurfa.2012.09.033⟩
Journal articles hal-01668301v1

Ab initio study of metastable layered perovskites R <inf>2</inf>Ti <inf>2</inf>O <inf>7</inf> (R = Sm and Gd)

Adlane Sayede , E. Bruyer , M. Springborg
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, Physical Review B ‐ Condensed Matter and Materials Physics, 86 (1212), ⟨10.1103/PhysRevB.86.125136⟩
Journal articles hal-01668302v1

Interaction of water‐soluble triphenylphosphines with $\beta$‐cyclodextrin: A quantum chemistry study

Adlane Sayede , M. Ferreira , H. Bricout , S. Tilloy , E. Monflier
Journal of Physical Organic Chemistry, 2011, Journal of Physical Organic Chemistry, 24 (1212), pp.1129-1135. ⟨10.1002/poc.1833⟩
Journal articles hal-01668304v1

Microstructure and nanoscale piezoelectric/ferroelectric properties in La<inf>2</inf>Ti<inf>2</inf>O<inf>7</inf> thin films grown on (110)‐oriented doped Nb:SrTiO<inf>3</inf> substrates

Z. Shao , S. Saitzek , P. Roussel , A. Ferri , ?. Bruyer
Advanced Engineering Materials, 2011, Advanced Engineering Materials, 13 (1010), pp.961-969. ⟨10.1002/adem.201100105⟩
Journal articles hal-01668306v1

Alkaline‐earth metal hydrides as novel host lattices for EuII luminescence

N. Kunkel , H. Kohlmann , Adlane Sayede , M. Springborg
Inorganic Chemistry, 2011, Inorganic Chemistry, 50 (1313), pp.5873-5875. ⟨10.1021/ic200801x⟩
Journal articles hal-01668305v1

Theoretical investigation of the hydrogenation induced atomic rearrangements in palladium rich intermetallic compounds MPd3 (M = Mg, In, Tl)

N. Kunkel , J. Sander , N. Louis , Y. Pang , L. M. Dejon
The European Physical Journal B: Condensed Matter and Complex Systems, 2011, 82 (1), pp.1-6. ⟨10.1140/epjb/e2011-10916-5⟩
Journal articles hal-01667849v1

Structural Characterization and Photoluminescent Properties of (La1‐xSmx)2Ti2O7 Solid Solutions Synthesized by a Sol‐Gel Route

Zhenmian Shao , Sébastien Saitzek , Jean-François Blach , Adlane Sayede , Pascal Roussel
European Journal of Inorganic Chemistry, 2011, 2011 (24), pp.3569-3576. ⟨10.1002/ejic.201100309⟩
Journal articles hal-01667847v1

Density functional calculations of the structural, electronic, and ferroelectric properties of high-k-titanate ⁠RE2Ti2O7(RE=La and Nd)

E. Bruyer , Adlane Sayede
Journal of Applied Physics, 2010, Journal of Applied Physics, 108 (55), ⟨10.1063/1.3459891⟩
Journal articles hal-01668309v1

New supramolecular amphiphiles based on renewable resources

C. Machut , F. Mouri‐belabdelli , J.‐p. Cavrot , Adlane Sayede , E. Monflier
Green Chemistry, 2010, Green Chemistry, 12 (55), pp.772-775. ⟨10.1039/b924335f⟩
Journal articles hal-01668308v1

Relaxed energetic maps of ?‐carrabiose: a dft study

N. Yousfi , M. Sekkal‐rahal , Adlane Sayede , M. Springborg
Journal of Computational Chemistry, 2010, Journal of Computational Chemistry, 31 (66), pp.1312-1320. ⟨10.1002/jcc.21497⟩
Journal articles hal-01668307v1

Hydroformylation of 1‐Octene in Supercritical Carbon Dioxide with Alkyl P‐Donor Ligands on Rhodium Using a Peracetylated β‐Cyclodextrin as a Solubiliser

Clara Tortosa Estorach , Marta Giménez‐pedrós , Anna Maria Masdeu‐bultó , Adlane Sayede , Eric Monflier
European Journal of Inorganic Chemistry, 2008, 2008 (17), pp.2659-2663. ⟨10.1002/ejic.200800153⟩
Journal articles hal-01667850v1

A Property‐Matched Water‐Soluble Analogue of the Benchmark Ligand PPh3

Michel Ferreira , Hervé Bricout , Frédéric Hapiot , Adlane Sayede , Sébastien Tilloy
ChemSusChem, 2008, 1 (7), pp.631-636. ⟨10.1002/cssc.200800097⟩
Journal articles hal-01667851v1

Biphasic Aqueous Organometallic Catalysis Promoted by Cyclodextrins: How to Design the Water‐Soluble Phenylphosphane to Avoid Interaction with Cyclodextrin

Michel Ferreira , Hervé Bricout , Adlane Sayede , Anne Ponchel , Sophie Fourmentin
Advanced Synthesis and Catalysis, 2008, 350 (4), pp.609-618. ⟨10.1002/adsc.200700582⟩
Journal articles hal-01667852v1

InxGa1−xN refractive index calculations

M. Anani , H. Abid , Z. Chama , C. Mathieu , Adlane Sayede
Microelectronics Journal, 2007, 38 (2), pp.262-266. ⟨10.1016/j.mejo.2006.11.001⟩
Journal articles hal-01667853v1

Peracetylated β‐cyclodextrin as solubilizer of arylphosphines in supercritical carbon dioxide

G. Filardo , M. Di Blasi , A. Galia , A. Ponchel , H. Bricout
Journal of Supercritical Fluids, 2006, 36 (3), pp.173-181. ⟨10.1016/j.supflu.2005.06.004⟩
Journal articles hal-01667854v1

Understanding the atomic force microscopy image of the V2O5 and Li0.03V2O5(001) surface using ab initio calculations

Adlane Sayede , C. Mathieu , B. Khelifa
Catalysis Today, 2006, 113 (3-4), pp.263-269. ⟨10.1016/j.cattod.2005.11.083⟩
Journal articles hal-01667855v1

Host–guest inclusion complexes between peracetylated β‐cyclodextrin and diphenyl(4‐phenylphenyl)phosphine: Computational studies

Adlane Sayede , A. Ponchel , G. Filardo , A. Galia , E. Monflier
Journal of Molecular Structure: THEOCHEM, 2006, 777 (1-3), pp.99-106. ⟨10.1016/j.theochem.2006.08.033⟩
Journal articles hal-01667856v1

An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3

Adlane Sayede , T. Amriou , M. Pernisek , B. Khelifa , C. Mathieu
Chemical Physics, 2005, 316 (1-3), pp.72-82. ⟨10.1016/j.chemphys.2005.04.036⟩
Journal articles hal-01667857v1

Effect of Al‐doping on lithium nickel oxides

T. Amriou , Adlane Sayede , B. Khelifa , C. Mathieu , H. Aourag
Journal of Power Sources, 2004, 130 (1-2), pp.213-220. ⟨10.1016/j.jpowsour.2003.11.063⟩
Journal articles hal-01667858v1

Lithium intercalation effects on the V2O5 (001) surface

Adlane Sayede
Solid State Ionics, 2004, 166 (1-2), pp.175-181. ⟨10.1016/j.ssi.2003.10.006⟩
Journal articles hal-01667859v1

Structural relationship between V2O5 (0 0 1) surface and the bulk: Cluster bulk termination models

Adlane Sayede , C. Mathieu , B. Khelifa , H. Aourag
Materials Chemistry and Physics, 2003, Materials Chemistry and Physics, 81 (11), pp.183-190. ⟨10.1016/S0254-0584(03)00186-X⟩
Journal articles hal-01668310v1

Determination of the Association Constant between a Cyclodextrin and a Guest using Machine Learning models

Adlane Sayede , Gökhan Tahil , Fabien Delorme , Daniel Le Berre , Eric Monflier
9th Symposium on Theoretical Biophysics (TheoBio2023), Jul 2023, Cetraro, Italy
Conference papers hal-04193143v1

Use of Machine Learning for Determination of Association Constant between a Cyclodextrin and a Guest

Gökhan Tahil , Fabien Delorme , Daniel Le Berre , Eric Monflier , Adlane Sayede
7th European Conference on Cyclodextrin (EuroCD 2023), Sep 2023, Budapest (Hungary)., Hungary
Conference papers hal-04214791v1

The effect of Biaxial strain on electronic properties of (SnO2/TiO2)n superlattices

Najwa Harrati , Adlane Sayede
Physics 2023, Jul 2023, Los Angeles, CA, United States
Conference papers hal-04196615v1

FCInet: A classification neural network to describe the configuration interaction space

Bastien Casier , Elohan Veillon , Adlane Sayede
Journées Scientifiques ThéMoSia, Université Paris Cité, Jun 2023, Paris, France
Conference papers hal-04385761v1
Image document

Unified Model for Crystalline Material Generation

Astrid Klipfel , Yaël Frégier , Adlane Sayede , Zied Bouraoui
32nd International Joint Conference on Artificial Intelligence, IJCAI 2023, Aug 2023, Macao, China. pp.6031 - 6039
Conference papers hal-04403392v1
Image document

Equivariant Graph Neural Network for Crystalline Materials

Astrid Klipfel , Zied Bouraoui , Yaël Frégier , Adlane Sayede
31st International Joint Conference on Artificial Intelligence and the 25th European Conference on Artificial Intelligence {(IJCAI} 2022, {ECAI} 2022), Jul 2022, Vienne, Austria
Conference papers hal-04037916v1

Prediction of new electrodes for hydrogen production : the meeting between Darwin and Schrödinger

Najwa Harrati , Adlane Sayede
Journées Nord-Ouest Européennes des Jeunes Chercheurs (JNOEJC 2022), Jun 2022, Caen, France
Conference papers hal-03956380v1

Machine learning challenges for determination of association constant between a cyclodextrin and a guest

Gökhan Tahil , Fabien Delorme , Daniel Le Berre , Eric Monflier , Adlane Sayede
20èmes Journées Cyclodextrines, Oct 2022, Lille, France
Conference papers hal-03954803v1

Propriétés photoélectrochimiques de pyrovanadate de cuivre (Cu2V2O7) sous forme de couches minces synthétisées par ablation laser

Blandine Fontaine , Youssef Benrkia , Jean-François Blach , Ahmad Ayesh , Adlane Sayede
Matériaux 2022, Oct 2022, Lille, France
Conference papers hal-04094792v1

Ab-initio study of some low dimensional functional oxysulfides and their optical properties.

S Sen , Adlane Sayede , Batoul Almoussawi , Houria Kabbour
Matériaux, Oct 2022, Lille, France
Conference papers hal-04034233v1

Determination of the Association Constant between a Cyclodextrin and a Guest using Machine Learning for Catalyzed Functionalization of Bio-Sourced Substrates

Gökhan Tahil , Fabien Delorme , Daniel Le Berre , Eric Monflier , Adlane Sayede
First international symposium on High-Throughput Catalysts Design, Jun 2021, Lille, France
Conference papers hal-03957829v1

Microstructural study of nickel thin films by pulsed laser deposition

Gauthier Lefevre , Sébastien Saitzek , Florent Blanchart , Anthony Ferri , Pascal Roussel
E-MRS 2019 SPRING MEETING, May 2019, Nice, France
Conference papers hal-02152130v1

Synthèse, caractérisations structurales et propriétés photo-électrochimiques des oxydes M2V2O7 (M=Cu, Mg, Zn)

B. Fontaine , Jean-Francois Blach , Adlane Adlane Sayede , A. Ayesh , Sebastien Saitzek
JNOEJC2019 Journées Nord Ouest Européenne des Jeunes Chercheurs, Jun 2019, Rouen, France
Conference papers hal-03713497v1

Theoretical Investigation of Mg-based alloys for hydrogen storage

Gauthier Lefevre , Sébastien Saitzek , Rachel Desfeux , Adlane Sayede
E-MRS 2019 SPRING MEETING, May 2019, Nice, France
Conference papers hal-02152148v1

New low dimensional inorganic topologies from mixed anion building blocks

Houria Kabbour , Sarah Nicoud , Bastien Leclercq , Marielle Huvé , Adlane Sayede
Réunions plénières du GDR MEETICC, Jan 2019, Dunkerque, France
Conference papers hal-03582492v1

Evolutionary Crystal Structure Prediction of new rich-Mg compounds

Adlane Sayede
Journée IA-Chimie, Université d'Artois, Faculté des Sciences Jean Perrin, May 2019, Lens, France
Conference papers hal-02165277v1

Synthesis, characterizations and DFT study of new (halide)-chalcogenides phases

Batoul Almoussawi , Gauthier Lefevre , Adlane Sayede , Angel Arevalo-Lopez , Houria Kabbour
E-MRS 2019 SPRING MEETING, May 2019, Nice, France
Conference papers hal-02156388v1

Synthèse, caractérisation et propriétés photo-électrochimiques du pyrovanadate de cuivre

B. Fontaine , Jean-Francois Blach , Adlane Adlane Sayede , A. Ayesh , Sebastien Saitzek
Journées du Réseau des Jeunes Chimistes – SCF, Jun 2019, Lille, France
Conference papers hal-03714455v1

Modélisation structurale et étude de nouveaux composés inorganiques fonctionnels à partir d’entités structurales hétéroleptiques

Houria Kabbour , Pascal Roussel , Marielle Huvé , Batoul Almoussawi , Olivier Mentre
Congrès RX et Matières, Nov 2019, Nancy, France
Conference papers hal-03582508v1

Study of encapsulation properties of amphiphilic cyclodextrins in deep eutectic solvents

Véronique Bonnet , David Landy , Adlane Sayede , Sébastien Tilloy , Eric Monflier
6th European Conference on Cyclodextrins - EUROCD 2019, Oct 2019, Saint-Jacques de Compostelle, Spain
Conference papers hal-04448813v1

Étude microstructurale et résistance à l'oxydation de films minces de nickel déposés par ablation laser pulsé

Gauthier Lefevre , Sébastien Saitzek , Fabian Blanchard , Anthony Ferri , Pascal Roussel
Congrès Matériaux 2018, Nov 2018, Strasbourg, France
Conference papers hal-02006301v1

New insight for hydrogen storage in the magnesium nickel and magne- sium copper systems

Adlane Sayede , Gauthier Lefevre
CCP2018, XXX IUPAP Conference on Computational Physics, University of California, Jul 2018, Davis, United States
Conference papers hal-04455455v1

Microstructure et résistance à l’oxydation de couches minces de nickel déposées par ablation laser pulsé

Gauthier Lefevre , Sébastien Saitzek , Fabian Blanchard , Anthony Ferri , P. Roussel
Journées Nord-Ouest Européennes des Jeunes Chercheurs (JNOEJC), 2018, Jun 2018, Villeneuve d'Ascq, France
Conference papers hal-02006086v1

Theoretical investigation of binary systems for hydrogen storage

G. Lefevre , Adlane Sayede
Journées Théorie, Modélisation et Simulation (JTMS), 2017, Paris, France
Conference papers hal-01691057v1

Etudes théorique et expérimentale d'alliages binaires pour le stockage d'hydrogène

G. Lefevre , Rachel Desfeux , S. Saitzek , Adlane Sayede
Journées Nord-Ouest Européennes des Jeunes Chercheurs - JNOEJC 2017, 2017, Caen, France
Conference papers hal-01691054v1

«Hydroformylation de triglycérides en milieu auto-émulsifiant: Étude des interactions cyclodextrines/triglycérides par dynamique moléculaire»

A. Sayede , T. Vanbésien , E. Monflier , F. Hapiot
18èmes Journées Cyclodextrines, 2017, Lens, France
Conference papers hal-01725800v1

Theoretical investigation of binary systems for hydrogen storage

G. Lefevre , Adlane Sayede , Holger Kohlmann
Discovery of Novel Nanoparticles, Surfaces and Bulk Materials (DN-NSM) 2017, 2017, Poitiers, France
Conference papers hal-01691058v1

Hydroformylation de triglycérides en milieu autoémulsifiant

Adlane Sayede , T. Vanbésien , Frédéric Hapiot , Eric Monflier
18èmes journées des Cyclodextrines, 2017, Lens, France
Conference papers hal-01691028v1

Theoretical investigation of binary systems for hydrogen storage

G. Lefevre , Adlane Sayede , Holger Kohlmann
19th International Conference on Hydrogen Production and Storage ICHPS, May 2017, Berlin, Germany
Conference papers hal-01691055v1

«A Molecular Dynamics Study of the aqueous biphasic hydroformylation of triglycerides promoted by Cyclodextrins»

Adlane Sayede , T. Vanbesien , F. Hapiot , E. Monflier
5th European Conference on Cyclodextrin (EuroCD 2017), 2017, Lisbon, Portugal
Conference papers hal-01699405v1

Étude théorique du système Arsenic-Palladium et de ses hydrures

G. Lefevre , Adlane Sayede , Holger Kohlmann
Inauguration de la Maison de la Simulation, 2016, Villeneuve d Ascq, France
Conference papers hal-01691059v1

First-Principles determination of the structure of binary palladium rich compounds and their hydrides

Adlane Sayede , G. Lefevre , H. Kohlmann
E-MRS 2016 Fall Meeting, 2016, Unknown, Unknown Region
Conference papers hal-01691030v1

Étude théorique du système Arsenic-Palladium et de ses hydrures

G. Lefevre , Adlane Sayede , H. Kohlmann
Journées Nord-Ouest Européennes des Jeunes Chercheurs - JNOEJC 2016, 2016, Villeneuve d Ascq, France
Conference papers hal-01691029v1

First-Principles Determination of the Structure of binary palladium rich compounds and their hydrides

Adlane Sayede , G. Lefevre , H. Kohlmann , R. Desfeux
3rd International Congress on Energy Efficiency and Energy Related Materials (ENEFM), 2015, Unknown, Unknown Region
Conference papers hal-01691031v1

Designing new multiferroics with ab initio calculations

Adlane Sayede , Rachel Desfeux , E. Bruyer
Humboldt-Kolleg / International Conference Theory and Computation in Sciences and Bio-Sciences, 2014, Unknown, Unknown Region
Conference papers hal-01691061v1

Etude théorique des propriétés physiques de systèmes ferroélectriques et multiferroïques

Adlane Sayede , R. Desfeux , E. Bruyer
Congrès Matériaux 2014, 2014, Montpellier, France
Conference papers hal-01691060v1

Strain Effect on the Electric Polarization of (SrTiO_3)_n(BiFeO_3)_n (n=2,4) Heterostructures

Adlane Sayede , R. Desfeux , E. Bruyer
2nd Annual World Congress of Advanced Materials-2013 (WCAM-2013), 2013, Suzhou, China
Conference papers hal-01691062v1

Growth, Microstructural Characterization and Nanoscale Piezoelectric/Ferroelectric Properties in Lead-Free Ln_2Ti_2O_7 (Ln = Lanthanides) Thin Films

R. Desfeux , A. Ferri , E. Bruyer , Adlane Sayede , W. Prellier
2nd Annual World Congress of Advanced Materials-2013 (WCAM-2013), 2013, Suzhou, China
Conference papers hal-01691032v1

«Strain Effect on the Electric Polarization of (SrTiO₃)ₙ(BiFeO₃)ₙ Heterostructures»

Adlane Sayede , R. Desfeux , E. Bruyer
2nd Annual World Congress of Advanced Materials-2013 (WCAM-2013), 2013, Suzhou, China
Conference papers hal-01725557v1

Synthesis, Characterizations and DFT study of new (oxy)-chalcogenides phases

Batoul Almoussawi , Marielle Huvé , Simon Clevers , Adlane Sayede , Angel Arevalo Lopez
European conference on solid state chemistry (ECSSC), Sep 2019, Lille, France
Conference poster hal-03584964v1

Apport de la microscopie à force atomique en mode piézoréponse et des calculs ab-initio pour l’étude des propriétés ferroélectriques de superréseaux [(BiFeO₃)ₘ/(SrTiO₃)ₙ]ₚ

E. Bruyer , A. Sayede , A. Ferri , R. Desfeux , R-V-K. Mangalam
Colloque national 2016 du GDR OXYFUN, 2016, Autrans, France. 2016
Conference poster hal-01739622v1

Multi-functional oxides thin films inside Thin Films and Nanomaterials team at UCCS

R. Desfeux , M.H. Chambrier , A. Ferri , S. Saitzek , Adlane Sayede
Colloque national 2014 du GDR OXYFUN, Jun 2014, Autrans, France. 2014
Conference poster hal-01699092v1

Piezoresponse force microscopy measurements and ab-initio calculations for the study of the ferroelectric properties in (BiFeO3)2(SrTiO3)4 superlattices

E. Bruyer , Adlane Sayede , A. Ferri , R. Desfeux , R.V.K. Mangalam
International Conference Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials – PFM 2014, Jul 2014, Ekaterinburg, Russia. 2014
Conference poster hal-01699093v1

Couches minces à propriétés remarquables

Adlane Sayede , A. Ferri , S. Saitzek , M.H. Chambrier , Rachel Desfeux
Journée d’échange FédérationChevreul-IEMN, Mar 2013, Villeneuve d’Ascq, France. 2013
Conference poster hal-01699094v1

Molecular modeling of cyclodextrin inclusion complexes

Adlane Sayede , Eric Monflier
Chemical Modelling: Volume 16, Royal Society of Chemistry, pp.72-99, 2021, Chemical Modelling, 978-1-83916-170-4. ⟨10.1039/9781839162657-00072⟩
Book sections hal-03205886v1

Ab initio calculations for a better understanding of the behavior of ferroelectric domains in [(BiFeO_3)_m/(SrTiO_3)_n]_p heterostructures as observed by piezoresponse force microscopy

E. Bruyer , Adlane Sayede , A. Ferri , R. Desfeux , R.V.K. Mangalam
2012
Other publications hal-01699095v1

Strain effect on the structure and the electric polarization of BiFeO_3 and (SrTiO_3)_n (BiFeO_3)_n (n=2,4) heterostructures

E. Bruyer , Adlane Sayede , Rachel Desfeux
2011
Other publications hal-01699096v1

Conformational DFT study of -carrabiose in gas phase and aqueous solution

N. Yousfi , M. Rahal-Sekkal , Adlane Sayede , C. Reguieg , I. Taleb
2010
Other publications hal-01699097v1

Relaxed energetic maps of -carrabiose: A DFT study

N. Brrekhchi , M. Rahal-Sekkal , Adlane Sayede , N. Yousfi
2010
Other publications hal-01699099v1

Crystal structures and luminescence properties of mixed crystals of europium and strontium hydride

N. Kunkel , H. Kohlmann , M. Adlung , C. Wickleder , Adlane Sayede
2010
Other publications hal-01699103v1

First Principles Calculations of Structural Properties of (SrTiO_3)_n (BiFeO_3)_n (n=2,4) Heterostructures

E. Bruyer , Adlane Sayede , Rachel Desfeux
2010
Other publications hal-01699101v1

Interaction between -carrabiose and some ions of alkali metals

C. Reguieg , N. Yousfi , M. Rahal-Sekkal , I Taleb , Adlane Sayede
2010
Other publications hal-01699098v1

Etudes structurales et propriétés de luminescence d'une solution solide (La_1-xSm_x)_2 Ti_2O_7 (0 < x <0.8) synthétisées par voie sol-gel

Z. Shao , S. Saitzek , J.F. Blach , Adlane Sayede , P. Roussel
2010
Other publications hal-01699104v1

First Principles Calculations of Structural Properties of (SrTiO_3) _n(BiFeO_3)_n (n=2,4) Heterostructures

E. Bruyer , Adlane Sayede , A. Ferri , Rachel Desfeux
2010
Other publications hal-01699105v1

Structural and electronic properties of layered titanate photocatalysts, Ln_2Ti_2O _7 (Ln = La or Nd)

Adlane Sayede , E. Bruyer
2010
Other publications hal-01699100v1