UAB Digital Repository of Documents 5 records found  Search took 0.01 seconds. 
1.
Neutral organic radical formation by chemisorption on metal surfaces / Ajayakumar, M. R (Institut de Ciència de Materials de Barcelona) ; Moreno, Cesar (Institut Català de Nanociència i Nanotecnologia) ; Alcón, Isaac (Universitat de Barcelona. Departament de Ciència de Materials i Qímica Física) ; Illas, Francesc (Universitat de Barcelona. Departament de Ciència de Materials i Qímica Física) ; Rovira Angulo, Concepció (Institut de Ciència de Materials de Barcelona) ; Veciana i Miró, Jaume (Institut de Ciència de Materials de Barcelona) ; Bromley, Stefan (Universitat de Barcelona. Departament de Ciència de Materials i Qímica Física) ; Mugarza, Aitor (Institut Català de Nanociència i Nanotecnologia) ; Mas-Torrent, Marta (Institut de Ciència de Materials de Barcelona)
Organic radical monolayers (r-MLs) bonded to metal surfaces are potential materials for the development of molecular (spin)electronics. Typically, stable radicals bearing surface anchoring groups are used to generate r-MLs. [...]
2020 - 10.1021/acs.jpclett.0c00269
Journal of physical chemistry letters, Vol. 11, issue 10 (May 2020) , p. 3897-3904  
2.
31 p, 9.5 MB Low-Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions / Singh, Sobhit (Rutgers University. Department of Physics and Astronomy) ; Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia) ; Amsler, Maximilian (Cornell University) ; Belhadji, Brahim (Université de Liège) ; Sofo, Jorge O. (Pennsylvania State University) ; Verstraete, Matthieu J. (Institut Català de Nanociència i Nanotecnologia) ; Romero, Aldo H. (West Virginia University. Physics and Astronomy Department)
We employ an ab-initio structure search algorithm to explore the configurational space of bismuth in quasi-two dimensions. A confinement potential is introduced to restrict the movement of atoms within a predefined thickness to find the stable and metastable forms of monolayer Bi. [...]
2019 - 10.1021/acs.jpclett.9b03043
Journal of physical chemistry letters, Vol. 10, Issue 23 (December 2019) , p. 7324-7332  
3.
20 p, 1.9 MB Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks / Groizard, Thomas (Université de Rennes) ; Papior, Nick (Institut Català de Nanociència i Nanotecnologia) ; Le Guennic, Boris (Université de Rennes) ; Robert, Vincent (Université de Strasbourg) ; Kepenekian, Mikaël (Institut des Sciences Chimiques de Rennes)
The impact of surface deposition on cooperativity is explored in Au(111)-supported self-assembled metal-organic frameworks (MOFs) based on Fe(II) ions. Using a thermodynamic model, we first demonstrate that dimensionality reduction combined with deposition on a metal surface is likely to deeply enhance the spin-crossover cooperativity, going from γ = 16 K for the bulk material to γ2D = 386 K for its 2D supported derivative. [...]
2017 - 10.1021/acs.jpclett.7b01248
Journal of physical chemistry letters, Vol. 8, Issue 14 (July 2017) , p. 3415-3420  
4.
22 p, 3.1 MB Assembly of ferrocene molecules on metal surfaces revisited / Ormaza, Maider (Université de Strasbourg) ; Abufager, Paula (Institut Català de Nanociència i Nanotecnologia) ; Bachellier, Nicolas (Université de Strasbourg) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Verot, Martin (Université de Lyon) ; Le Bahers, Tangui (Université de Lyon) ; Bocquet, Marie-Laure (Université de Lyon) ; Lorente Palacios, Nicolás (Institut Català de Nanociència i Nanotecnologia) ; Limot, Laurent (Université de Strasbourg)
Metallocene (MCp) wires have recently attracted considerable interest in relation to molecular spintronics due to predictions concerning their half-metallic nature. This exciting prospect is however hampered by the little and often-contradictory knowledge we have concerning the metallocene self-assembly and interaction with a metal. [...]
2015 - 10.1021/jz5026118
Journal of physical chemistry letters, Vol. 6, issue 3 (May 2015) , p. 395-400  
5.
25 p, 6.7 MB AFM Imaging of Mercaptobenzoic Acid on Au(110) : Submolecular Contrast with Metal Tips / Hauptmann, Nadine (Radboud University. Institute for Molecules and Materials.) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Abufager, Paula (Universidad Nacional de Rosario. Instituto de Física de Rosario) ; Lorente, Nicolás (Centro de Física de Materiales (San Sebastián. España)) ; Berndt, Richard (Christian-Albrechts-Universität zu Kiel. Institut für Experimentelle und Angewandte Physik)
A self-assembled monolayer of mercaptobenzoic acid (MBA) on Au(110) is investigated with scanning tunneling and atomic force microscopy (STM and AFM) and density functional calculations. High-resolution AFM images obtained with metallic tips show clear contrasts between oxygen atoms and phenyl moieties. [...]
2016 - 10.1021/acs.jpclett.6b00684
Journal of physical chemistry letters, Vol. 7, Issue 11 (June 2016) , p. 1984-1990  

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