Article
Chemistry, Physical
Oksana Patsahan, Marek Litniewski, Alina Ciach
Summary: The study investigates the interaction between particles in a binary mixture under spherically-symmetrical potentials, leading to microsegregation. Both theory and MD simulations demonstrate coexistence of different phases with varying densities and degrees of order, with the phase diagram showing significant differences from mean-field predictions. The ordered phases exhibit crystalline structures in the solid form, while lacking in the liquid crystals, with a prolate shape noted in monocrystals that deviates from a spherical shape with increasing periodic order.
Article
Chemistry, Multidisciplinary
Lukas Grossmann, Eva Ringel, Atena Rastgoo-Lahrood, Benjamin T. King, Johanna Rosen, Wolfgang M. Heckl, Dorina Opris, Jonas Bjoerk, Markus Lackinger
Summary: Currently, there is limited research on the self-assembly of three-dimensional molecules on surfaces. These molecules have a greater variability in their modes of adsorption compared to (nearly) planar molecules. This variability can significantly affect the expression of intermolecular binding motifs and the formation of supramolecular structures. The study found that molecule-surface interactions can be tuned to facilitate crystal engineering in two dimensions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yoshio Yano, Hidetaka Kasai, Yanyan Zheng, Eiji Nishibori, Yoshio Hisaeda, Toshikazu Ono
Summary: Mechanochemical synthesis was used to achieve multimolecular self-assembly in challenging three-component systems. The resulting crystals exhibited multicolor solid-state luminescence under UV light, which depended on the components. Optical and X-ray diffraction studies were conducted to investigate the self-assembling behavior. In situ X-ray diffraction using synchrotron radiation allowed for direct observation of the milling process, which initiated the self-assembly within 1 minute. This research highlights the importance of multicomponent molecules with optical functions and self-assembling behavior, and offers the potential for developing more complex multicomponent crystals and organic solid solutions for advanced materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Gianpietro Malescio, Francesco Sciortino
Summary: The phase behavior of a 2D system of particles interacting through a Gaussian repulsive core, short-range attraction, and long-range repulsion is studied through numerical simulations. Various crystals, a phase characterized by stripe patterns, and quasicrystalline phases with 8-fold, 12-fold, and 18-fold symmetry are observed. Remarkable clusters with dodecagonal symmetry, a phenomenon not previously reported in the literature, are discovered in a narrow density range.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Marek Litniewski, Alina Ciach
Summary: The study using molecular dynamics simulations reveals that a binary mixture of oppositely charged particles with short-range attraction and repulsion near a substrate forms alternating layers or bilayers. The number, orientation, and structure of these layers can vary with different substrates and gas densities. The thickness of the adsorbed film can be significant for strong attraction, and an equal amount of particles from both components are adsorbed in all cases due to long-range attraction.
Article
Chemistry, Physical
Ningyi Li, Junhong Li, Lijingting Qing, Shicheng Ma, Yao Li, Baohui Li
Summary: This paper investigates the self-assembly behavior of colloids with competing interactions under spherical confinement and finds that different ordered structures can be formed under different sized spherical confinements. Moreover, more perforated structures are formed in smaller spheres.
Article
Chemistry, Physical
Navathej Preetha Genesh, Daling Cui, Dominik Dettmann, Oliver MacLean, Tarnjit Kaur Johal, Andrey V. Lunchev, Andrew C. Grimsdale, Federico Rosei
Summary: The precise control of molecular self-assembly on surfaces provides opportunities for complex nanostructure creation. Selective patterning using molecular interactions at the solid-liquid interface was observed in the self-assembly of 1,3,5-tris(4-methoxyphenyl)benzene (TMPB) molecules on the Au(111) surface. Resulting from higher adsorption energy, TMPB molecules preferred to assemble in the face-centered cubic (FCC) regions of Au(111). The coverage of TMPB molecules increased with solution concentration, leading to a full monolayer, and induced the lifting of the herringbone reconstruction at higher concentrations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Jianmei Huang, Qiang Wang, Pengfei Liu, Guang-hui Chen, Yanhui Yang
Summary: The study demonstrated that the interaction strength and interface distance of Gr/h-BN/metal can be tuned by regulating the chemical composition of the surface alloy. The absorption behavior of graphene on h-BN/Cu(111)-Ni and h-BN/Ni(111)-Cu interfaces varied significantly with different Ni/Cu atomic percentages.
Article
Chemistry, Multidisciplinary
Yingwu Wang, Qiang Lin, Ping Ning, Chi Wang, Heping Zeng, Xin Sun, Xin Song, Kai Li
Summary: The study examined the influence of different acids on the performance of Ce-Cu-Al trimetallic composite catalyst for H2S and PH3 adsorption. It was found that the catalyst prepared using nitric acid demonstrated the best performance, with improved structural features and surface functional groups. The change in acid type also affected the physical and chemical properties of the catalyst, leading to enhanced adsorption capacity and overall catalytic activity.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Eloise Angove, Federico Grillo, Herbert A. Fruchtl, Alex J. Veinot, Ishwar Singh, J. Hugh Horton, Cathleen M. Crudden, Christopher J. Baddeley
Summary: The benzannulated N-heterocyclic carbene forms a highly ordered structure on the Cu(111) surface, with vertical benzannulated NHC moieties coordinating to Cu adatoms and three surface-bound benzyl substituents controlling the formation of a highly ordered lattice.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Nataliya Kalashnyk, Adam Hassan Denawi, Frederic Dumur, Didier Gigmes, Xavier Bouju, Sylvain Clair
Summary: The supramolecular self-assembly of s-indacene-1,3,5,7(2H,6H)-tetrone on the Cu(111) surface was investigated and six different phases were found, driven by different interactions. Host-guest interactions allowed for the accommodation of molecular or metal clusters inside the nanoporous patterns. Three metal-organic networks led to the creation of regular arrays of isolated metal adatoms or adatom clusters.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Nico Kummer, Caroline E. Giacomin, Peter Fischer, Silvia Campioni, Gustav Nystrom
Summary: Amyloid fibrils from inexpensive food proteins and nanocellulose have diverse applications and their hybrid materials have improved mechanical properties due to electrostatic interactions. These interactions increase the elasticity of the amyloid network by cross-linking individual fibrils. The combination of nanocellulose morphology contributes differently to the elasticity, with cellulose nanocrystals inducing bundling and network formation, and cellulose nanofibrils forming a second network. The gained knowledge on colloidal interactions provides a basis for designing functional biohybrid materials.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Akitoshi Shiotari, Septia Eka Marsha Putra, Yuichiro Shiozawa, Yuji Hamamoto, Kouji Inagaki, Yoshitada Morikawa, Yoshiaki Sugimoto, Jun Yoshinobu, Ikutaro Hamada
Summary: This study reveals the temperature-dependent adsorption structures of HCOOH on Cu(111) surface through experimental and theoretical simulations. Different adsorption states were observed at different temperatures, and the interactions between adsorbates play a crucial role in stability and catalytic activity.
Article
Chemistry, Multidisciplinary
Emanuele Priola, Ghodrat Mahmoudi, Jacopo Andreo, Antonio Frontera
Summary: The study reports a novel [d(9)]Cu-MIDLINE HORIZONTAL ELLIPSIS[d(10)]Au coinage bond and reveals the nucleophilic role of [d(10)]Au metal and the electrophilic role of [d(9)]Cu metal through DFT calculations.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Jan Brox, Rajan Adhikari, Majid Shaker, Michael Ruppel, Norbert Jux, Hubertus Marbach, Simon Jaekel, Hans-Peter Steinrueck
Summary: We investigated the adsorption behavior of 2H-tetranaphthylporphyrin (2HTNP) and 2H-tetranaphthylbenzoporphyrin (2HTNBP) on Cu(111) and Ag(111) surfaces. The molecules showed different adsorption behavior on the two surfaces, with the formation of superstructures on Ag(111) and individual molecules on Cu(111). Heating treatments led to structural changes in the adsorbates.
Article
Instruments & Instrumentation
Fabian D. Natterer, Francois Patthey, Tobias Bilgeri, Patrick R. Forrester, Nicolas Weiss, Harald Brune
REVIEW OF SCIENTIFIC INSTRUMENTS
(2019)
Article
Physics, Multidisciplinary
F. Donati, S. Rusponi, S. Stepanow, L. Persichetti, A. Singha, D. M. Juraschek, C. Wackerlin, R. Baltic, M. Pivetta, K. Diller, C. Nistor, J. Dreiser, K. Kummer, E. Velez-Fort, N. A. Spaldin, H. Brune, P. Gambardella
PHYSICAL REVIEW LETTERS
(2020)
Article
Chemistry, Multidisciplinary
Samuel Stolz, Aliaksandr Yakutovich, Jan Prinz, Thomas Dienel, Carlo A. Pignedoli, Harald Brune, Oliver Groning, Roland Widmer
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Multidisciplinary Sciences
Samuel Stolz, Oliver Groening, Jan Prinz, Harald Brune, Roland Widmer
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2020)
Article
Physics, Multidisciplinary
Marina Pivetta, Francois Patthey, Igor Di Marco, Arya Subramonian, Olle Eriksson, Stefano Rusponi, Harald Brune
Article
Chemistry, Multidisciplinary
Samuel Stolz, Michael Bauer, Carlo A. Pignedoli, Nils Krane, Max Bommert, Elia Turco, Nicolo Bassi, Amogh Kinikar, Nestor Merino-Diez, Roland Hany, Harald Brune, Oliver Groning, Roland Widmer
Summary: This study investigates the impact of chirality transfer and ensemble effect on thermally activated azide-alkyne Huisgen cycloaddition on well-defined and chiral intermetallic PdGa{111} surfaces. Dominating ensemble effect and chirality transfer from the substrate to reaction products are observed, revealing the potential of PdGa as an asymmetric heterogeneous catalyst. Mechanistic insight into enantioselective reactions at chiral surfaces is challenging but crucial for understanding catalytic activity differences observed on Pd-1- and Pd-3-terminated PdGa{111} surfaces.
COMMUNICATIONS CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Aparajita Singha, Daria Sostina, Christoph Wolf, Safa L. Ahmed, Denis Krylov, Luciano Colazzo, Pierluigi Gargiani, Stefano Agrestini, Woo-Suk Noh, Jae-Hoon Park, Marina Pivetta, Stefano Rusponi, Harald Brune, Andreas J. Heinrich, Alessandro Barla, Fabio Donati
Summary: This study successfully resolves the magnetism of individual orbitals in Gd and Ho single atoms by combining X-ray magnetic circular dichroism, multiplet calculations, and density functional theory. Contrary to previous assumptions, a charge transfer mechanism leading to an unconventional singly ionized configuration was identified. This work highlights the role of valence electrons in determining the quantum level structure and spin-dependent transport properties of lanthanide-based nanomagnets.
Article
Multidisciplinary Sciences
A. Singha, P. Willke, T. Bilgeri, X. Zhang, H. Brune, F. Donati, A. J. Heinrich, T. Choi
Summary: Atomic scale engineering of magnetic fields is crucial for miniaturizing quantum devices and precise control of quantum systems. Surface-supported single atom magnets with a giant magnetic anisotropy energy exhibit long-term stability of spin states at low temperatures. Dy adsorbed onto MgO shows a high MAE and a life time of several days at low temperatures, making it a promising candidate for magnetic nanostructures.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Samuel Stolz, Martina Danese, Marco Di Giovannantonio, Jose Urgel, Qiang Sun, Amogh Kinikar, Max Bommert, Shantanu Mishra, Harald Brune, Oliver Groning, Daniele Passerone, Roland Widmer
Summary: This study investigates the dehalogenation of prochiral 5-bromo-7-methylbenz(a)anthracene (BMA) on prototypical, chiral, intermetallic PdGa{111} surfaces under ultrahigh vacuum conditions, demonstrating asymmetric halogen elimination and a significant dependence on the atomic termination of the PdGa{111} surfaces for the dehalogenation temperature of the BMA surface enantiomers.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Fabio Donati, Marina Pivetta, Christoph Wolf, Aparajita Singha, Christian Waeckerlin, Romana Baltic, Edgar Fernandes, Jean-Guillaume De Groot, Safa Lamia Ahmed, Luca Persichetti, Corneliu Nistor, Jan Dreiser, Alessandro Barla, Pietro Gambardella, Harald Brune, Stefano Rusponi
Summary: By using X-ray absorption spectroscopy, the electronic configuration of dysprosium atoms on MgO(100) thin films can be adjusted by changing the MgO thickness from 2.5 to 9 monolayers, resulting in different magnetic stabilities. Hysteresis loops indicate long magnetic lifetimes for both configurations.
Article
Chemistry, Multidisciplinary
Sergio Vlaic, Dimitris Mousadakos, Safia Ouazi, Stefano Rusponi, Harald Brune
Summary: In this study, the magnetic properties and atomic morphology of bimetallic two-dimensional nanoislands grown on metal surfaces were investigated. The blocking temperature was found to be greatly increased by modifying the interfaces and capping the islands with different materials.