Publications CINaM

2020

Control of the optical properties upon a reversible [2+2] cycloaddition of 3-(4-N,N-dibutylamino)-styryl)-3’-(dicyanovinyl)-bithiophene

Hecham Aboubakr, Jean-Marc Sotiropoulos, Hugues Brisset, Jean-Manuel Raimundo

Tetrahedron 131384 (2020)10.1016/j.tet.2020.131384

Microstructure evolution and thermal stability of equiatomic CoCrFeNi films on (0001) α-Al2O3

Younès Addab, Maya Kini, Blandine Courtois, Alan Savan, Alfred Ludwig, Nathalie Bozzolo, Christina Scheu, Gerhard Dehm, Dominique Chatain

Acta Materialia (2020)10.1016/j.actamat.2020.09.064

Direct Observations of the Structural Properties of Semiconducting Polymer: Fullerene Blends under Tensile Stretching

Mouaad Yassine Aliouat, Dmitriy Ksenzov, Stéphanie Escoubas, Jörg Ackermann, Dominique Thiaudière, Cristian Mocuta, Mohamed Cherif Benoudia, David Duche, Olivier Thomas, Souren Grigorian

Materials 13:3092 (2020)10.3390/ma13143092

In situ measurements of the structure and strain of a π-conjugated semiconducting polymer under mechanical load

Mouaad Yassine Aliouat, Stephanie Escoubas, Mohamed Chérif Benoudia, Dmitriy Ksenzov, David Duché, Evangéline Bènevent, Christine Videlot-Ackermann, Jörg Ackermann, Olivier Thomas, Souren Grigorian

Journal of Applied Physics 127:045108 (2020)10.1063/1.5127226

Organic-Inorganic doped Nickel Oxide Nanocrystals for Hole Transport Layers in Inverted Polymer Solar Cells with Color Tuning

Riva Alkarsifi, Yatzil Alejandra Avalos-Quiroz, Pavlo Perkhun, Xianjie Liu, Mats Fahlman, Anil Kumar Bharwal, Carmen M. Ruiz, David Duché, Jean-Jacques Simon, Christine Videlot-Ackermann, Olivier Margeat, Jörg Ackermann

Materials Chemistry Frontiers (2020)

Quantum de-trapping and transport of heavy defects in tungsten

Kazuto Arakawa, Mihai-Cosmin Marinica, Steven Fitzgerald, Laurent Proville, Duc Nguyen-Manh, Sergei Dudarev, Pui-Wai Ma, T D Swinburne, Alexandra Goryaeva, Tetsuya Yamada, Takafumi Amino, Shigeo Arai, Yuta Yamamoto, Kimitaka Higuchi, Nobuo Tanaka, Hidehiro Yasuda, Tetsuya Yasuda, Hirotaro Mori

Nature Materials (2020)10.1038/s41563-019-0584-0

Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose

Lea Atmani, Pierre-Louis Valdenaire, Roland J.-M. Pellenq, Christophe Bichara, Henri van Damme, Adri van Duin, Franz Ulm, Jean-Marc Leyssale

Energy and Fuels 34:1537-1547 (2020)10.1021/acs.energyfuels.9b03681

Structural transitions and mechanochemical coupling in the nucleoprotein filament explain homology selectivity and Rad51 protein cooperativity in cellular DNA repair

Scott Atwell, Daniel Migliozzi, Aurélie Dupont, Jean-Louis Viovy, Giovanni Cappello

Physical Review E 101 (2020)10.1103/PhysRevE.101.032407

Electrical molecular switch addressed by chemical stimuli.

Hassib Audi, Yannick Viero, N Alwhaibi, Zhongrui Chen, Maksym Iazykov, Arnaud Heynderickx, Fan Xiao, David Guérin, Christophe Krzeminski, Iain Mark Grace, Colin Lambert, Olivier Siri, Dominique Vuillaume, Stéphane Lenfant, H.R. Klein

Nanoscale (2020)10.1039/D0NR02461A

Fabrication of sharp silicon arrays to wound Caenorhabditis elegans

Jérôme Belougne, Igor Ozerov, Céline Caillard, Bedu Frédéric, Jonathan Ewbank

Scientific Reports 10:3581 (2020)10.1038/s41598-020-60333-7

Direct correlation of nanoscale morphology and device performance to study photocurrent generation in donor enriched phases of polymer solar cells

Sadok Ben Dkhil, Pavlo Perkhun, Chieh Luo, David Müller, Riva Alkarsifi, Elena Barulina, Yatzil Alejandra Avalos-Quiroz, Olivier Margeat, Stephan Thierry Dubas, Tomoyuki Koganezawa, Daiki Kuzuhara, Noriyuki Yoshimoto, Claudia Caddeo, Alessandro Mattoni, Birger Zimmermann, Uli Würfel, Martin Pfannmöller, Sara Bals, Jörg Ackermann, Christine Videlot-Ackermann

ACS Applied Materials & Interfaces (2020)10.1021/acsami.0c05884

Ultraviolet catastrophe of a fluctuating curved dislocation line

Max Boleininger, T D Swinburne, Laurent Dupuy, Sergei Dudarev

Physical Review Research 2 (2020)10.1103/PhysRevResearch.2.032033

A symmetrized decomposition of the Kubo-Bastin formula

Varga Bonbien, Aurélien Manchon

Physical Review B: Condensed Matter and Materials Physics (2020)

Photocatalytical properties of NiO nanofilms doped with Ba

S. Boulila, M. Ghamnia, A. Boukhachem, A. Ouhaibi, M. Chakhoum, C. Fauquet, V. Heresanu, D. Tonneau

Philosophical Magazine Letters 100:283-293 (2020)10.1080/09500839.2020.1760389

Exciton Interactions, Excimer Formation, and [2π+2π] Photodimerization in Nonconjugated Curcuminoid‐BF 2 Dimers

Manon Catherin, Olatz Uranga-Barandiaran, Arnaud Brosseau, Rémi Métivier, Gabriel Canard, Anthony d'Aléo, David Casanova, Frederic Castet, Elena Zaborova, Frédéric Fages

Chemistry - A European Journal 26:3818-3828 (2020)10.1002/chem.201905122

Influence of step structure on preferred orientation relationships of Ag deposited on Ni(111)

Dominique Chatain, Saransh Singh, Blandine Courtois, Jérémie Silvent, Elodie Verzeroli, Gregory Rohrer, Marc de Graef, Paul Wynblatt

Acta Materialia (2020)10.1016/j.actamat.2020.08.082

Robust transparent conducting electrode based on silver nanowire coating on polyelectrolytes multilayers

Jedsada Chavalitkul, Olivier Margeat, Jörg Ackermann, Stephan Dubas

Thin Solid Films 711:138272 (2020)10.1016/j.tsf.2020.138272

2D Manipulation of Nanoobjects by Perpendicular Electric Fields: Implications for Nanofabrication

Stefano Curiotto, F. Cheynis, Pierre Müller, Frédéric Leroy

Acs Applied Nano Materials 3:1118-1122 (2020)10.1021/acsanm.9b02517

Magnetic anisotropy of one-dimensional Co nanostructures

Michel Daher Mansour, Romain Parret, F. Cheynis, Matthieu Petit, Fadi Choueikani, Lisa Michez, Laurence Masson

Physical Review B 102:155403 (2020)10.1103/PhysRevB.102.155403

A self-assembling amphiphilic dendrimer nanotracer for SPECT imaging

Ling Ding, Zhenbin Lyu, Aura Tintaru, Erik Laurini, Domenico Marson, Beatrice Louis, Ahlem Bouhlel, Laure Balasse, Samantha Fernandez, Philippe Garrigue, Eric Mas, Suzanne Giorgio, Sabrina Pricl, Benjamin Guillet, Ling Peng

Chemical Communications 56:301-304 (2020)10.1039/c9cc07750b

Surface Charge of Supramolecular Nanosystems for In Vivo Biodistribution: A MicroSPECT/CT Imaging Study

Ling Ding, Zhenbin Lyu, Beatrice Louis, Aura Tintaru, Erik Laurini, Domenico Marson, Mengjie Zhang, Wanxuan Shao, Yifan Jiang, Ahlem Bouhlel, Laure Balasse, Philippe Garrigue, Eric Mas, Suzanne Giorgio, Juan Iovanna, Yuanyu Huang, Sabrina Pricl, Benjamin Guillet, Ling Peng

Small 2003290 (2020)10.1002/smll.202003290

Quantifying the Extent of Ligand Incorporation and the Effect on Properties of TiO 2 Thin Films Grown by Atomic Layer Deposition Using an Alkoxide or an Alkylamide

Maxime Dufond, Maïmouna Diouf, Clémence Badie, Carine Laffon, Philippe Parent, Daniel Ferry, David Grosso, Jacques Kools, Simon Elliott, Lionel Santinacci

Chemistry of Materials 32:1393-1407 (2020)10.1021/acs.chemmater.9b03621

Mechanical adaptation of monocytes in model lung capillary networks

Jules Dupire, Pierre-Henri Puech, Emmanuèle Helfer, Annie Viallat

Proceedings of the National Academy of Sciences of the United States of America (2020)

Time resolved alkali silicate decondensation by sodium hydroxide solution

Romain Dupuis, Donatien Gomes Rodrigues, Jean-Baptiste Champenois, Roland Pellenq, Arnaud Poulesquen

Journal of Physics: Materials (2020)10.1088/2515-7639/ab5ce9

Dynamics of Au-Ge liquid droplets on Ge(1 1 1) terraces: Nucleation, growth and dynamic coalescence

Ali El-Barraj, Stefano Curiotto, Fabien Cheynis, Pierre Müller, Frédéric Leroy

Applied Surface Science 509:144667 (2020)10.1016/j.apsusc.2019.144667

Influence of texture and microstructure on the reactivity of aluminum powders

Pierre-Henry Esposito, Christine Leroux, Vasile Heresanu, Thomas Neisius, Véronique Madigou, Renaud Denoyel, Marie-Vanessa Coulet

Materialia 14:100880 (2020)10.1016/j.mtla.2020.100880

Nanomechanics and Raman Spectroscopy of in Situ Native Carbohydrate Storage Granules for Enhancing Starch Quality and Lignocellulosic Biomass Production

Rubye Farahi, Aude Lereu, Anne Charrier, Udaya Kalluri, Brian Davison, Ali Passian

ACS Omega 5:2594−2602 (2020)10.1021/acsomega.9b02849

Nanomechanics and Raman Spectroscopy of in Situ Native Carbohydrate Storage Granules for Enhancing Starch Quality and Lignocellulosic Biomass Production

Rubye Farahi, Aude L. Lereu, Anne Charrier, Udaya Kalluri, Brian Davison, Ali Passian

ACS Omega 5:2594−2602 (2020)10.1021/acsomega.9b02849

Synchrotron high-resolution XRD and thermal expansion of synthetic Mg calcites

Nicole Floquet, Daniel Vielzeuf, Vasile Heresanu, Didier Laporte, Jonathan Perrin

Physics and Chemistry of Minerals 47 (2020)10.1007/s00269-020-01115-5

A deep learning approach for determining the chiral indices of carbon nanotubes from high-resolution transmission electron microscopy images

Georg Daniel Förster, Alice Castan, Annick Loiseau, Jaysen Nelayah, Damien Alloyeau, Frédéric Fossard, Christophe Bichara, Hakim Amara

Carbon 169:465-474 (2020)10.1016/j.carbon.2020.06.086

Natural killer cells modulate motor neuron-immune cell cross talk in models of Amyotrophic Lateral Sclerosis

Stefano Garofalo, Germana Cocozza, Alessandra Porzia, Maurizio Inghilleri, Marcello Raspa, Ferdinando Scavizzi, Eleonora Aronica, Giovanni Bernardini, Ling Peng, Richard Ransohoff, Angela Santoni, Cristina Limatola

Nature Communications 11:1773 (2020)10.1038/s41467-020-15644-8

Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism

Petr Grigorev, T D Swinburne, James Kermode

Physical Review Materials 4 (2020)10.1103/PhysRevMaterials.4.023601

Hydrodynamic model of directional ciliary-beat organization in human airways

Simon Gsell, Etienne Loiseau, Umberto D’ortona, Annie Viallat, Julien Favier

Scientific Reports 10 (2020)10.1038/s41598-020-64695-w

Solubilities and Crystallization of Olanzapine Using a Multi‑Well Setup: The Effect of Solvents and Cooling Rates

N Guemras, Kamel Daoud, S. Veesler

Journal of Solution Chemistry (2020)10.1007/s10953-020-01019-6

Toward Electrophoretic Separation of Membrane Proteins in Supported n -Bilayers

Frédéric Harb, B. Tinland

ACS Omega (2020)10.1021/acsomega.0c01196

Interplay between Orientation at Electrodes and Copper Activation of Thermus thermophilus Laccase for O2 Reduction

Vivek Pratap Hitaishi, Romain Clément, Ludovica Quattrocchi, Philippe Parent, David Duché, Lisa Zuily, Marianne Ilbert, Elisabeth Lojou, Ievgen Mazurenko

Journal of the American Chemical Society 142:1394-1405 (2020)10.1021/jacs.9b11147

Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys

Abir Hizi, Alexis Front, Moncef Said, Fabienne Berthier, Guy Treglia, Christine Mottet

Surface Science 700:121626 (2020)10.1016/j.susc.2020.121626

Therapeutic siRNA: state of the art

Bo Hu, Liping Zhong, Yuhuang Weng, Ling Peng, Yuanyuan Huang, Yongxiang Zhao, Liang Xing-Jie

Signal Transduction and Targeted Therapy (2020)

Liver Activation of Hepatocellular Nuclear Factor-4α by Small Activating RNA Rescues Dyslipidemia and Improves Metabolic Profile

Kai-Wen Huang, Vikash Reebye, Katherine Czysz, Simona Ciriello, Stephanie Dorman, Isabella Reccia, Hong-Shiee Lai, Ling Peng, Nikos Kostomitsopoulos, Joanna Nicholls, Robert Habib, Donald Tomalia, Pål Sætrom, Edmund Wilkes, Pedro Cutillas, John Rossi, Nagy Habib

Molecular Therapy - Nucleic Acids 19:361-370 (2020)10.1016/j.omtn.2019.10.044

Edge-On Self-Assembly of Tetra-Bromoanthracenyl-Porphyrin on Silver Surfaces

Nataliya Kalashnyk, Michel Daher Mansour, Joffrey Pijeat, Rémi Plamont, Xavier Bouju, Teodor Silviu Balaban, Stéphane Campidelli, Laurence Masson, Sylvain Clair

Journal of Physical Chemistry C (2020)10.1021/acs.jpcc.0c05908

Selective modification of the unquenched orbital moment of manganese introduced by carbon dopant in epitaxial Mn5Ge3C0.2/Ge(111) films

R. Kalvig, E. Jedryka, M. Wojcik, Matthieu Petit, L. Michez

Physical Review B: Condensed Matter (1978-1997) 101 (2020)10.1103/PhysRevB.101.094401

Femtomolar detection of Cu2+ ions in solution using super-Nernstian FET-sensor with a lipid monolayer as top-gate dielectric

A. Kenaan, F. Brunel, J.-M. Raimundo, Anne Charrier

Sensors and Actuators B: Chemical 316:128147 (2020)10.1016/j.snb.2020.128147

Visualizing morphological principles for efficient photocurrent generation in organic non-fullerene acceptor blends

Wolfgang Köntges, Pavlo Perkhun, Jochen Kammerer, Riva Alkarsifi, Uli Würfel, Olivier Margeat, Christine Videlot-Ackermann, Jean-Jacques Simon, Rasmus Schröder, Jörg Ackermann, Martin Pfannmöller

Energy & Environmental Science 13 (2020)10.1039/c9ee03535d

Targeting NUPR1 with the Small Compound ZZW-115 Is an Efficient Strategy to Treat Hepatocellular Carcinoma

Wenjun Lan, Patricia Santofimia, Yi Xia, Zhengwei Zhou, Can Huang, Nicolas Fraunhoffer, Dolores Barea, Melchiore Cervello, Lydia Giannitrapani, Giuseppe Montalto, Ling Peng, Juan Iovanna

Cancer Letters (2020)

ZZW-115–dependent inhibition of NUPR1 nuclear translocation sensitizes cancer cells to genotoxic agents

Wenjun Lan, Patricia Santofimia-Castano, Mirna Swayden, Yi Xia, Zhengwei Zhou, Stéphane Audebert, Luc Camoin, Can Huang, Ling Peng, Ana Jiménez-Alesanco, Adrián Velázquez-Campoy, Olga Abián, Gwen Lomberk, Raul Urrutia, Bruno Rizzuti, Vincent Gélinas, Philippe Soubeyran, José L., Juan Iovanna

JCI Insight (2020)

Machine learning surrogate models for prediction of point defect vibrational entropy

Clovis Lapointe, T D Swinburne, Louis Thiry, Stéphane Mallat, Laurent Proville, Charlotte Becquart, Mihai-Cosmin Marinica

Physical Review Materials 4 (2020)10.1103/PhysRevMaterials.4.063802

Elusive Dzyaloshinskii-Moriya interaction in Fe 3 GeTe 2 monolayer

Slimane Laref, Kyoung-Whan Kim, Aurélien Manchon

Physical Review B: Condensed Matter and Materials Physics (2020)

Induced Spin-texture at 3d Transition Metal/Topological Insulator Interfaces

Slimane Laref, Sumit Ghosh, Evgeny Tsymbal, Aurelien Manchon

Physical Review B: Condensed Matter and Materials Physics (2020)10.1103/PhysRevB.101.220410

Mixed N-Aryl/Alkyl Substitution Favours an Unusual Tautomer of Near-Infrared Absorbing Azacalixphyrins

Lucien Lavaud, Cloé Azarias, Gabriel Canard, Simon Pascal, Denis Jacquemin, Olivier Siri

New Journal of Chemistry (2020)10.1039/D0NJ04587J

Optical spin-dependent beam separation in cyclic group symmetric metasurface

Yeon Ui Lee, Igor Ozerov, Frédéric Bedu, Ji Su Kim, Frédéric Fages, Jeong Weon Wu

Nanophotonics 9:3459-3471 (2020)10.1515/nanoph-2020-0160

Near-Infrared Electrochemiluminescence in Water through Regioselective Sulfonation of Diaza [4] and [6]helicene Dyes

Haidong Li, Romain Duwald, Simon Pascal, Silvia Voci, Céline Besnard, Johann Bosson, Laurent Bouffier, Jérôme Lacour, Neso Sojic

Chemical Communications (2020)10.1039/D0CC04156D

Quantification and prediction of water uptake by soot deposited on ventilation filters during fire events

Laura Lintis, François-Xavier Ouf, Philippe Parent, Daniel Ferry, Carine Laffon, Cécile Vallières

Journal of Hazardous Materials 123916 (2020)10.1016/j.jhazmat.2020.123916

Active mucus–cilia hydrodynamic coupling drives self-organization of human bronchial epithelium

Etienne Loiseau, Simon Gsell, Aude Nommick, Charline Jomard, Delphine Gras, Pascal Chanez, Umberto D’ortona, Laurent Kodjabachian, Julien Favier, Annie Viallat

Nature Physics (2020)10.1038/s41567-020-0980-z

Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon-carbon double bonds

Vladimir Lokshin, Hervé Clavier, Vladimir Khodorkovsky

New Journal of Chemistry 44:14373-14378 (2020)10.1039/D0NJ02923H

Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions

Yann Magnin, Emmanuel Villermaux, Hakim Amara, Christophe Bichara, Roland Pellenq

Carbon 159:504-511 (2020)10.1016/j.carbon.2019.12.025

Hydrocarbon Diffusion in Mesoporous Carbon Materials: Implications for Unconventional Gas Recovery

Yann Magnin, Jérémie Berthonneau, Nicolas Chanut, Daniel Ferry, Olivier Grauby, Rachel Jorand, Franz Joseph Ulm, Eric Chaput, Roland Pellenq

ACS Applied Nano Materials 3:7604-7610 (2020)10.1021/acsanm.0c01191

Semi-realistic tight-binding model for spin-orbit torques

Guilhem Manchon, Sumit Ghosh, Cyrille Barreteau, Aurélien Manchon

Physical Review B: Condensed Matter and Materials Physics (2020)

Access to Fluorenones Using Benzocyclopentynone Surrogate as Partner for the [2 + 2 + 2] Cycloaddition Reaction

Anne-Doriane Manick, Bruno Salgues, Jean-Luc Parrain, Elena Zaborova, Frédéric Fages, Muriel Amatore, Laurent Commeiras

Organic Letters 22:1894-1898 (2020)10.1021/acs.orglett.0c00235

Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes

Maya Marinova, Simon Pascal, Laure Guénée, Céline Besnard, Boris Shivachev, Kalina Kostova, Claudio Villani, Roberta Franzini, Vladimir Dimitrov, Jérôme Lacour

Journal of Organic Chemistry (2020)10.1021/acs.joc.0c01716

Study of n-WO3/p-porous silicon structures for gas-sensing applications

H. Mhamdi, R. Benabderrahmane Zaghouani, T. Fiorido, J.-L. Lazzari, Marc Bendahan, W. Dimassi

Journal of Materials Science: Materials in Electronics 31:7862-7870 (2020)10.1007/s10854-020-03324-8

Quantitative insights into the growth mechanisms of nanopores in hexagonal boron nitride

Ouafi Mouhoub, Rafael Martinez-Gordillo, Jaysen Nelayah, Guillaume Wang, Ji-Hoon Park, Ki Kang Kim, Young Hee Lee, Christophe Bichara, Annick Loiseau, Christian Ricolleau, Hakim Amara, Damien Alloyeau

Physical Review Materials 4 (2020)10.1103/PhysRevMaterials.4.014005

Nanomateriaux Structure, morphologie et stabilite

Pierre Müller

Techniques de l’Ingénieur. Techniques d'Analyse NM3010 (2020)

Propriétés des nano-objets: Longueurs critiques, effets de taille et de forme

Pierre Müller

Techniques de l’Ingénieur. Techniques d'Analyse (2020)

Electrolyte-gated-organic field effect transistors functionalized by lipid monolayers with tunable pH sensitivity for sensor applications

Tin Phan Nguy, Ryoma Hayakawa, Volkan Kilinc, Matthieu Petit, Yemineni S L V Narayana, Masayoshi Higuchi, Jean-Manuel Raimundo, Anne Charrier, Yutaka Wakayama

Applied Physics Express 13:011005 (2020)10.7567/1882-0786/ab5322

Functionalized geopolymer foams for cesium removal from liquid nuclear waste

S. Petlitckaia, Y. Barre, T. Piallat, O. Grauby, Daniel Ferry, A. Poulesquen

Journal of Cleaner Production 269 (2020)10.1016/j.jclepro.2020.122400

Microfluidics platform for polymorph screening directly from powder

Guillem Peybernès, Romain Grossier, Frédéric Villard, Philippe Letellier, Nadine Candoni, Stéphane Veesler

Crystal Growth and Design 20:3882-3887 (2020)

Rectifying antennas for energy harvesting from the microwaves to visible light: A review

C.A. Reynaud, David Duché, Jean-Jacques Simon, Estéban Sanchez-Adaime, O. Margeat, Jörg Ackermann, Vikas Jangid, Chrystelle Lebouin, Damien Brunel, Frederic Dumur, Didier Gigmes, Gérard Berginc, C.A. Nijhuis, Ludovic Escoubas

Progress in Quantum Electronics 72:100265 (2020)10.1016/j.pquantelec.2020.100265

Small Panchromatic and NIR Absorbers from Quinoid Zwitterions

Angélina Torres Ruiz, Manon Bousquet, Simon Pascal, Gabriel Canard, Valérie Mazan, Mourad Elhabiri, Denis Jacquemin, Olivier Siri

Organic Letters (2020)10.1021/acs.orglett.0c02926

Physical properties of electrodeposited CIGS films on crystalline silicon: Application for photovoltaic hetero-junction

H. Saidi, C. Ben Alaya, M.F. Boujmil, B. Durand, J.L. Lazzari, M. Bouaïcha

Current Applied Physics 20:29-36 (2020)10.1016/j.cap.2019.09.015

1D Coordination π‐d Conjugated Polymers with Distinct Structures Defined by the Choice of the Transition Metal: Towards a New Class of Antiaromatic Macrocycles

Vijai Meena Santhini, Christian Wäckerlin, Ales Cahlik, Martin Ondráček, Simon Pascal, Adam Matěj, Oleksandr Stetsovych, Pingo Mutombo, Petr Lazar, Olivier Siri, Pavel Jelinek

Angewandte Chemie International Edition (2020)10.1002/anie.202011462

Long-standing Optically-excited Magnetic States in ZnO Nanoparticles

Adrien Savoyant, Clément Sebastiao, Olivier Margeat

physica status solidi (RRL) - Rapid Research Letters (2020)10.1002/pssr.202000176

Hindered rotational barriers in conjugated donor–acceptor substituted systems: calculations vs. experiments

Mark Sigalov, Vladimir Lokshin, Nina Larina, Vladimir Khodorkovsky

Physical Chemistry Chemical Physics 22:1214-1221 (2020)10.1039/c9cp06234c

How metallic are noble-metal clusters? Static screening and polarizability in quantum-sized silver and gold nanoparticles

Rajarshi Sinha-Roy, Pablo García-González, Hans-Christian Weissker

Nanoscale 12:4452-4458 (2020)10.1039/C9NR08608K

Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond

T D Swinburne, Jan Janssen, Mira Todorova, Gideon Simpson, Petr Plechac, Mitchell Luskin, Jörg Neugebauer

Physical Review B: Condensed Matter and Materials Physics (2020)10.1103/PhysRevB.102.100101

Defining, calculating and converging observables of kinetic transition networks

T D Swinburne, David J Wales

Journal of Chemical Theory and Computation (2020)10.1021/acs.jctc.9b01211

Rare events and first passage time statistics from the energy landscape

T D Swinburne, Thomas Swinburne, Deepti Kannan, Daniel Sharpe, David Wales

Journal of Chemical Physics 153:134115 (2020)10.1063/5.0016244

Bulk spin torque driven perpendicular magnetization switching in L1 0 FePt

Meng Tang, Ka Shen, Shijie Xu, Huanglin Yang, Shuai Hu, Weiming Lü, Changjian Li, Mengsha Li, Zhe Yuan, Stephen Pennycook, Ke Xia, Aurelien Manchon, Shiming Zhou, Xuepeng Qiu

Advanced Materials (2020)10.1002/adma.202002607

Magnetoelastic interaction in the two-dimensional magnetic material MnPS₃ studied by first principles calculations and Raman experiments

Diana Vaclavkova, Alex Delhomme, Clément Faugeras, Marek Potemski, Aleksander Bogucki, Jan Suffczynski, Piotr Kossacki, Andrew Wildes, Benoît Grémaud, Andrés Saúl

2D Materials (2020)10.1088/2053-1583/ab93e3

Molecular and Mechanobiological Pathways Related to the Physiopathology of FPLD2

Alice-Anaïs Varlet, Emmanuèle Helfer, Catherine Badens

Cells 9:1947 (2020)10.3390/cells9091947

SciPy 1.0: fundamental algorithms for scientific computing in Python

P. Virtanen, R. Gommers, T.E. Oliphant, M. Haberland, T. Reddy, D. Cournapeau, E. Burovski, P. Peterson, W. Weckesser, J. Bright, S.J. Walt, M. Brett, J. Wilson, K.J. Millman, N. Mayorov, A.R.J. Nelson, E. Jones, R. Kern, E. Larson, C.J. Carey, I. Polat, Y. Feng, E.W. Moore, J. Vanderplas, D. Laxalde, J. Perktold, R. Cimrman, I. Henriksen, E.A. Quintero, C.R. Harris, A.M. Archibald, A.H. Ribeiro, F. Pedregosa, P. Mulbregt, A. Vijaykumar, A.P. Bardelli, A. Rothberg, A. Hilboll, A. Kloeckner, A. Scopatz, A. Lee, A. Rokem, C.N. Woods, C. Fulton, C. Masson, C. Häggström, C. Fitzgerald, D.A. Nicholson, D.R. Hagen, D.V. Pasechnik, E. Olivetti, E. Martin, E. Wieser, F. Silva, F. Lenders, F. Wilhelm, G. Young, G.A. Price, G.-L. Ingold, G.E. Allen, G.R. Lee, H. Audren, Irvin Probst, J.P. Dietrich, J. Silterra, J.T. Webber, J. Slavič, J. Nothman, J. Buchner, J. Kulick, J.L. Schönberger, J.V. Miranda Cardoso, J. Reimer, J. Harrington, J.L.C. Rodríguez, J. Nunez-Iglesias, J. Kuczynski, K. Tritz, M. Thoma, M. Newville, M. Kümmerer, M. Bolingbroke, M. Tartre, M. Pak, N.J. Smith, N. Nowaczyk, N. Shebanov, O. Pavlyk, P.A. Brodtkorb, P. Lee, R.T. Mcgibbon, R. Feldbauer, S. Lewis, S. Tygier, S. Sievert, S. Vigna, S. Peterson, S. More, T. Pudlik, T. Oshima, T.J. Pingel, T.P. Robitaille, T. Spura, T.R. Jones, T. Cera, T. Leslie, T. Zito, T. Krauss, U. Upadhyay, Y.O. Halchenko, Y. Vázquez-Baeza, Contributors Scipy 1.0

Nature Methods 17:261-272 (2020)10.1038/s41592-019-0686-2