Publis DCMI 2020

I. Anefnaf, S. Aazou, G. Schmerber, S. Refki, N. Zimmermann, T. Heiser, G. Ferblantier, A. Slaoui, A. Dinia, M. Abd-Lefdil, Z. Sekkat, Polyethylenimine-Ethoxylated Interfacial Layer for Efficient Electron Collection in SnO2-Based Inverted Organic Solar Cells, Crystals 10 (2020). https://doi.org/10.3390/cryst10090731.

I. Anefnaf, S. Aazou, G. Schmerber, A. Dinia, Z. Sekkat, Study the effect of fullerene derivatives ratio on P3HT-based inverted organic solar cells, in: Z.H. Kafafi, P.A. Lane, K. Lee, H.W. Ade, Y.-L. (Lynn) Loo (Eds.), Organic, Hybrid, and Perovskite Photovoltaics XXI, SPIE, 2020: pp. 57–66. https://doi.org/10.1117/12.2568790.

F. Beaubras, J.-M. Rueff, O. Perez, F. Veillon, V. Caignaert, J.-F. Lohier, J. Cardin, G. Rogez, C. Jestin, H. Couthon, P.-A. Jaffres, M(H2O)(PO3C10H6OH)center dot(H2O)(0.5) (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid, Dalton Transactions 49 (2020) 3877–3891. https://doi.org/10.1039/c9dt03947c.

M.M. Besli, C. Usubelli, M. Metzger, V. Pande, K. Harry, D. Nordlund, S. Sainio, J. Christensen, M.M. Doeff, S. Kuppan, Effect of Liquid Electrolyte Soaking on the Interfacial Resistance of Li7La3Zr2O12 for All-Solid-State Lithium Batteries, ACS Applied Materials & Interfaces 12 (2020) 20605–20612. https://doi.org/10.1021/acsami.0c06194.

A. Boussadia, A. Beghidja, L. Gali, C. Beghidja, M. Elhabiri, P. Rabu, G. Rogez, Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities, Inorganica Chimica Acta 508 (2020). https://doi.org/10.1016/j.ica.2020.119656.

K.M. Bui, M. Boero, K. Shiraishi, A. Oshiyama, A two-dimensional liquid-like phase on Ga-rich GaN (0001) surfaces evidenced by first principles molecular dynamics, in: Japanese Journal of Applied Physics, 2020: p. SGGK04. https://doi.org/10.7567/1347-4065/ab650b.

M.-A. Carvalho, H. Dekkiche, S. Richeter, C. Bailly, L. Karmazin, D. McKearney, D.B. Leznoff, G. Rogez, B. Vileno, S. Choua, R. Ruppert, Antiferromagnetic coupling in copper(II)porphyrin dimers linked by copper(II) or palladium(II) ion, Journal of Porphyrins and Phthalocyanines 24 (2020) 238–246. https://doi.org/10.1142/S1088424619501037.

X. Chen, M. Boero, O. Lopez-Acevedo, Atomic structure and origin of chirality of DNA-stabilized silver clusters, Physical Review Materials 4 (2020) 065601. https://doi.org/10.1103/PhysRevMaterials.4.065601.

G. Cotin, F. Perton, C. Petit, S. Sall, C. Kiefer, V. Begin, B. Pichon, C. Lefèvre, D. Mertz, J.-M. Greneche, S. Bégin-Colin, Harnessing Composition of Iron Oxide Nanoparticle: Impact of Solvent-Mediated Ligand-Ligand Interaction and Competition between Oxidation and Growth Kinetics, Chemistry of Materials 32 (2020) 9245–9259. https://doi.org/10.1021/acs.chemmater.0c03041.

M. Darcheville, A.-L. Adenot-Engelvin, C. Boscher, N. Vukadinovic, C. Lefèvre, A. Thiaville, C. Sanchez, Evidence of the Superparamagnetic State in the Zero-Field Microwave Susceptibility Spectra of Ferrimagnetic Nanoparticles, IEEE Magnetics Letters 11 (2020) 6105305. https://doi.org/10.1109/LMAG.2020.3026228.

M. Dolci, J.-F. Bryche, J. Moreau, C. Leuvrey, S. Bégin-Colin, G. Barbillon, B.P. Pichon, Investigation of the structure of iron oxide nanoparticle assemblies in order to optimize the sensitivity of surface plasmon resonance-based sensors, Applied Surface Science 527 (2020) 146773. https://doi.org/10.1016/j.apsusc.2020.146773.

J. Du, J.P. Rino, C. Massobrio, A.N. Cormack, Challenges and opportunities of atomistic simulations for glass and amorphous materials, Journal of Non-Crystalline Solids 547 (2020) 120270. https://doi.org/10.1016/j.jnoncrysol.2020.120270.

P. Duenas-Ramirez, C. Bertagnolli, R. Muller, K. Sartori, A. Boos, M. Elhabiri, S. Bégin-Colin, D. Mertz, Highly chelating stellate mesoporous silica nanoparticles for specific iron removal from biological media, Journal of Colloid and Interface Science 579 (2020) 140–151. https://doi.org/10.1016/j.jcis.2020.06.013.

P. Dunne, C. Fowley, G. Hlawacek, J. Kurian, G. Atcheson, S. Colis, N. Teichert, B. Kundys, M. Venkatesan, J. Lindner, A.M. Deac, T.M. Hermans, J.M.D. Coey, B. Doudin, Helium Ion Microscopy for Reduced Spin Orbit Torque Switching Currents, Nano Letters 20 (2020) 7036–7042. https://doi.org/10.1021/acs.nanolett.0c02060.

T.-Q. Duong, C. Massobrio, G. Ori, M. Boero, E. Martin, Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics, Journal of Chemical Physics 153 (2020) 074704. https://doi.org/10.1063/5.0014232.

T.-Q. Duong, C. Massobrio, M. Boero, G. Ori, E. Martin, Heat transport in disordered network forming materials: Size effects and existence of propagative modes, Computational Materials Science 177 (2020) 109607. https://doi.org/10.1016/j.commatsci.2020.109607.

A. El Hat, I. Chaki, R. Essajai, A. Mzerd, G. Schmerber, M. Regragui, A. Belayachi, Z. Sekkat, A. Dinia, A. Slaoui, M. Abd-Lefdil, Growth and Characterization of (Tb,Yb) Co-Doping Sprayed ZnO Thin Films, Crystals 10 (2020) 169. https://doi.org/10.3390/cryst10030169.

I.B.A. Essomba, C. Massobrio, M. Boero, G. Ori, Assessing the Versatility of Molecular Modelling as a Strategy for Predicting Gas Adsorption Properties of Chalcogels, in: E. Levchenko, Y. Dappe, G. Ori (Eds.), THEORY AND SIMULATION IN PHYSICS FOR MATERIALS APPLICATIONS: CUTTING-EDGE TECHNIQUES IN THEORETICAL AND COMPUTATIONAL MATERIALS SCIENCE / Edited by E.V. Levchenko..., 2020: pp. 23–37. 10.1007/978-3-030-37790-8_2.

T. Fix, R. Vollondat, A. Ameur, S. Roques, J.-L. Rehspringer, C. Chevalier, D. Muller, A. Slaoui, Silicon Clathrate Films for Photovoltaic Applications, Journal of Physical Chemistry C 124 (2020) 14972–14977. https://doi.org/10.1021/acs.jpcc.0c02712.

P. Garcia-Munoz, F. Fresno, C. Lefèvre, D. Robert, N. Keller, Highly robust La1-xTixFeO3 dual catalyst with combined photocatalytic and photo-CWPO activity under visible light for 4-chlorophenol removal in Chock for water, Applied Catalysis B-Environmental 262 (2020) 118310. https://doi.org/10.1016/j.apcatb.2019.118310.

P. Garcia-Munoz, F. Fresno, C. Lefèvre, D. Robert, N. Keller, Synergy effect between photocatalysis and heterogeneous photo-Fenton catalysis on Ti-doped LaFeO3 perovskite for high efficiency light-assisted water treatment, Catalysis Science & Technology 10 (2020) 1299–1310. https://doi.org/10.1039/c9cy02269d.

P. Garcia-Munoz, F. Fresno, C. Lefèvre, D. Robert, N. Keller, Ti- -Modified LaFeO3/beta-SiC Alveolar Foams as Immobilized Dual Catalysts with Combined Photo-Fenton and Photocatalytic Activity, ACS Applied Materials & Interfaces 12 (2020) 57025–57037. https://doi.org/10.1021/acsami.0c16647.

C. Greboval, U.N. Noumbe, A. Chu, Y. Prado, A. Khalili, C. Dabard, T.H. Dang, S. Colis, J. Chaste, A. Ouerghi, J.-F. Dayen, E. Lhuillier, Gate tunable vertical geometry phototransistor based on infrared HgTe nanocrystals, Applied Physics Letters 117 (2020) 251104. https://doi.org/10.1063/5.0032622.

M.A.A. Kerroum, C. Iacovita, W. Baaziz, D. Ihiawakrim, G. Rogez, M. Benaissa, C.M. Lucaciu, O. Ersen, Quantitative Analysis of the Specific Absorption Rate Dependence on the Magnetic Field Strength in ZnxFe3-xO4 Nanoparticles, International Journal of Molecular Sciences 21 (2020) 7775. https://doi.org/10.3390/ijms21207775.

X. Kesse, A. Adam, S. Bégin-Colin, D. Mertz, E. Larquet, T. Gacoin, I. Maurin, C. Vichery, J.-M. Nedelec, Elaboration of Superparamagnetic and Bioactive Multicore–Shell Nanoparticles (γ-Fe2O3@SiO2-CaO): A Promising Material for Bone Cancer Treatment, ACS Applied Materials & Interfaces 12 (2020) 47820–47830. https://doi.org/10.1021/acsami.0c12769.

K.W. Kimura, R. Wilhelm, M.M. Besli, S. Kim, C. Usubelli, J.C. Ziegler, R. Klein, J. Christensen, Y. Gorlin, Interrelationship Between the Open Circuit Potential Curves in a Class of Ni-Rich Cathode Materials, Journal of the Electrochemical Society 167 (2020) 040510. https://doi.org/10.1149/1945-7111/ab739c.

E.V. Levchenko, Y.J. Dappe, G. Ori, Preface, in: E. Levchenko, Y. Dappe, G. Ori (Eds.), THEORY AND SIMULATION IN PHYSICS FOR MATERIALS APPLICATIONS: CUTTING-EDGE TECHNIQUES IN THEORETICAL AND COMPUTATIONAL MATERIALS SCIENCE / Edited by Y.J. Dappe et G. Ori, 2020: p. V–V. 10.1007/978-3-030-37790-8.

B. Li, S. Harlepp, V. Gensbittel, C.J.R. Wells, O. Bringel, J.G. Goetz, S. Bégin-Colin, M. Tasso, D. Begin, D. Mertz, Near infra-red light responsive carbon nanotubes@mesoporous silica for photothermia and drug delivery to cancer cells, Materials Today Chemistry 17 (2020) 100308. https://doi.org/10.1016/j.mtchem.2020.100308.

E. Martin, F. Roulland, S. Grenier, F. Appert, J. Juraszek, M. Trassin, C. Bouillet, E. Chikoidze, C. Arnold, B. Berini, Y. Dumont, S. Colis, S. Barre, G. Versini, D. Preziosi, C. Leuvrey, N. Blanc, N. Boudet, G. Pourroy, N. Viart, C. Lefèvre, Non-auxeticiauxetic transitions inducing modifications of the magnetic anisotropy in CoFe2O4 thin films, Journal of Alloys and Compounds 836 (2020) 155425. https://doi.org/10.1016/j.jallcom.2020.155425.

C. Massobrio, A. Bouzid, M. Boero, G. Ori, E. Martin, S. Le Roux, Chalcogenide glasses for innovation in applied science: fundamental issues and new insights, Journal of Physics D-Applied Physics 53 (2020) 033002. https://doi.org/10.1088/1361-6463/ab48a4.

C. Massobrio, M. Boero, S. Le Roux, G. Ori, A. Bouzid, E. Martin, Making Computer Materials Real: The Predictive Power of First-Principles Molecular Dynamics, in: E. Levchenko, Y. Dappe, G. Ori (Eds.), THEORY AND SIMULATION IN PHYSICS FOR MATERIALS APPLICATIONS: CUTTING-EDGE TECHNIQUES IN THEORETICAL AND COMPUTATIONAL MATERIALS SCIENCE / SCIENCE / Edited by E.V. Levchenko..., 2020: pp. 3–21. 10.1007/978-3-030-37790-8_1.

G. Mathiazhagan, L. Wagner, S. Bogati, K.Y. Unal, D. Bogachuk, T. Kroyer, S. Mastroianni, A. Hinsch, Double-Mesoscopic Hole-Transport-Material-Free Perovskite Solar Cells: Overcoming Charge-Transport Limitation by Sputtered Ultrathin Al2O3 Isolating Layer, ACS Applied Nano Materials 3 (2020) 2463–2471. https://doi.org/10.1021/acsanm.9b02563.

L. Mathivathanan, G. Rogez, N. Ben Amor, V. Robert, R.G. Raptis, A.K. Boudalis, Origin of Ferromagnetism and Magnetic Anisotropy in a Family of Copper(II) Triangles, Chemistry-a European Journal 26 (2020) 1–17. https://doi.org/10.1002/chem.202001028.

D. Mertz, S. Harlepp, J. Goetz, D. Begin, G. Schlatter, S. Bégin-Colin, A. Hebraud, Nanocomposite Polymer Scaffolds Responding under External Stimuli for Drug Delivery and Tissue Engineering Applications, Advanced Therapeutics 3 (2020) 1900143. https://doi.org/10.1002/adtp.201900143.

K. Mishima, M. Shoji, Y. Umena, M. Boero, Y. Shigeta, Role of the Propionic Acid Side-Chain of C-Phycocyanin Chromophores in the Excited States for the Photosynthesis Process, Bulletin of the Chemical Society of Japan 93 (2020) 1509–1519. https://doi.org/10.1246/bcsj.20200187.

D.-V. Nguyen, L. Hugoni, M. Filippi, F. Perton, D. Shi, E. Voirin, L. Power, G. Cotin, M.-P. Krafft, A. Scherberich, P. Lavalle, S. Bégin-Colin, D. Felder-Flesch, Mastering bioactive coatings of metal oxide nanoparticles and surfaces through phosphonate dendrons, New Journal of Chemistry 44 (2020) 3206–3214. https://doi.org/10.1039/c9nj05565g.

O. Opuchovic, M. Andrulevicius, S. Tamulevicius, J.-L. Rehspringer, A. Beganskiene, R. Skaudzius, K. Ishikawa, A. Kareiva, Cerium doping and cerium aluminium co-doping effects on the sol-gel processing of Y3Fe5O12 (YIG): Bulk and thin films, Solid State Sciences 99 (2020) 106065. https://doi.org/10.1016/j.solidstatesciences.2019.106065.

J.R. Orives, B.P. Pichon, D. Mertz, K. Sartori, S. Bégin-Colin, W.R. Viali, S.J. Lima Ribeiro, M. Nalin, Phosphate glasses containing monodisperse Fe3-delta O4@SiO2 stellate nanoparticles obtained by melt-quenching process, Ceramics International 46 (2020) 12120–12127. https://doi.org/10.1016/j.ceramint.2020.01.257.

A. Oshiyama, K.M. Bui, M. Boero, Y. Kangawa, K. Shiraishi, Computics Approach toward Clarification of Atomic Reactions during Epitaxial Growth of GaN, in: 2020 INTERNATIONAL CONFERENCE ON SIMULATION OF SEMICONDUCTOR PROCESSES AND DEVICES (SISPAD 2020), IEEE, 2020: pp. 11–14.

Y. Park, G. Ferblantier, A. Slaoui, A. Dinia, H. Park, S. Alhammadi, W.K. Kim, Yb-doped zinc tin oxide thin film and its application solar cells to Cu(InGa)Se-2 solar cells, Journal of Alloys and Compounds 815 (2020) 152360. https://doi.org/10.1016/j.jallcom.2019.152360.

V. Roge, J. Didierjean, J. Crepelliere, D. Arl, M. Michel, I. Fechete, A. Dinia, D. Lenoble, Tuneable Functionalization of Glass Fibre Membranes with ZnO/SnO(2)Heterostructures for Photocatalytic Water Treatment: Effect of SnO(2)Coverage Rate on the Photocatalytic Degradation of Organics, Catalysts 10 (2020) 733. https://doi.org/10.3390/catal10070733.

K. Sartori, D. Gailly, C. Bouillet, J.-M. Greneche, P. Duenas-Ramirez, S. Bégin-Colin, F. Choueikani, B.P. Pichon, Increasing the size of Fe3-delta O4 Nanoparticles by Performing a Multistep Seed-Mediated Growth Approach, Crystal Growth & Design 20 (2020) 1572–1582. https://doi.org/10.1021/acs.cgd.9b01300.

M. Shoji, Y. Abe, M. Boero, Y. Shigeta, Y. Nishiya, Reaction mechanism of N-cyclopropylglycine oxidation by monomeric sarcosine oxidase, Physical Chemistry Chemical Physics 22 (2020) 16552–16561. https://doi.org/10.1039/d0cp01679a.

M. Shoji, T. Murakawa, M. Boero, Y. Shigeta, H. Hayashi, T. Okajima, Unique protonation states of aspartate and topaquinone in the active site of copper amine oxidase, RSC Advances 10 (2020) 38631–38639. https://doi.org/10.1039/d0ra06365g.

P.L. Silvestrelli, E. Martin, M. Boero, A. Bouzid, G. Ori, C. Massobrio, Atomic Structure of Glassy GeTe4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces, Journal of Physical Chemistry B 124 (2020) 11273–11279. https://doi.org/10.1021/acs.jpcb.0c08628.

N. Suaud, G. Rogez, J.-N. Rebilly, M.-A. Bouammali, N. Guihery, A.-L. Barra, T. Mallah, Playing with Magnetic Anisotropy in Hexacoordinated Mononuclear Ni(II) Complexes, An Interplay Between Symmetry and Geometry, Applied Magnetic Resonance (2020). https://doi.org/10.1007/s00723-020-01228-8.

H. Ullah, N. Batisse, K. Guerin, G. Rogez, P. Bonnet, Synthesis of NiF2 and NiF2 center dot 4H(2)O Nanoparticles by Microemulsion and Their Self-Assembly, Langmuir 36 (2020) 8461–8475. https://doi.org/10.1021/acs.langmuir.0c00889.

C. Usubelli, M.M. Besli, S. Kuppan, N. Jiang, M. Metzger, A. Dinia, J. Christensen, Y. Gorlin, Understanding the Overlithiation Properties of LiNi0.6Mn0.2Co0.2O2 Using Electrochemistry and Depth-Resolved X-ray Absorption Spectroscopy, Journal of the Electrochemical Society 167 (2020) 080514. https://doi.org/10.1149/1945-7111/ab8a9d.