Article
Chemistry, Multidisciplinary
Qiyu Lian, Lingling Hu, Dingren Ma, Yimu Jiao, Dehua Xia, Yajing Huang, Zhuoyun Tang, Wei Qu, Huinan Zhao, Chun He, Daniel D. Gang
Summary: This study demonstrates that interstitial atomic Bi anchored in the lattice interstice of MnO2 can boost the catalytic oxidation reactions by triggering an alternative twofold O-2 activation, weakening the O-2 dissociation energy barrier by reconstructing the local charge landscape and elongating the O-O bond length.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Physics, Multidisciplinary
Xiang-Ping Jiang, Yi Qiao, Jun-Peng Cao
Summary: The study investigates mobility edges and reentrant localization transitions in a one-dimensional lattice with non-Hermitian potentials. It shows that different types of disorder can induce various phases, leading to a deeper understanding of the system behavior.
Article
Materials Science, Multidisciplinary
Mousa Bejani, Olivia Pulci, Naser Karimi, Elena Cannuccia, Friedhelm Bechstedt
Summary: In this study, we conducted a detailed analysis of the electronic properties and lattice dynamics of different layers of beta-InSe through theoretical calculations. We found that the few-layers systems are indirect band gap semiconductors with a Mexican-hat-shaped top valence band. The phonon analysis revealed the dynamical stability of mono- and bi-layers, as well as the breakdown of the longitudinal-optical-transverse-optical splitting with an increase to four layers. The Raman and IR spectra were dominated by in-plane and out-of-plane lattice vibrations, and small shifts of the peak positions and variations of the peak intensities were observed as signatures of the number of layers.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Heng Zhang, Junjie Wang, Frederic Guegan, Shuyin Yu, Gilles Frapper
Summary: In this study, three new semiconducting two-dimensional Tellurium phases were proposed, showing promising stability and excellent potential for photovoltaic applications. Their viability and potential were demonstrated through calculations and evaluations of their properties.
Article
Mathematics
V. L. Usol'tsev
Summary: This paper discusses the subdirect irreducibility of algebras with one operator and the main near-unanimity operation, showing that the congruence lattices of algebras in a given class are atomic. The full description of atoms in congruence lattices of algebras, subdirectly irreducible algebras, and algebras with atomistic congruence lattices is provided within the given class.
LOBACHEVSKII JOURNAL OF MATHEMATICS
(2021)
Article
Physics, Condensed Matter
D. Yu Nefedov, E. Charnaya, A. Uskov, A. O. Antonenko, D. Yu Podorozhkin, Yu A. Kumzerov, A. Fokin
Summary: In this study, the atomic mobility in the segregated gallium-enriched crystalline phase of a nanostructured Ga-In alloy was analyzed by NMR, contributing to the understanding of the influence of size reduction on the alloy's properties.
PHYSICS OF THE SOLID STATE
(2021)
Article
Multidisciplinary Sciences
Xiaoxi Zhang, Fabian Gaerisch, Zongping Chen, Yunbin Hu, Zishu Wang, Yan Wang, Liming Xie, Jianing Chen, Juan Li, Johannes Barth, Akimitsu Narita, Emil List-Kratochvil, Klaus Muellen, Carlos-Andres Palma
Summary: This study presents a method for fabricating highly conducting nanographene wires through self-assembly, photo-crosslinking, and thermal annealing on hexagonal boron nitride sheets. The bottom-up fabrication approach allows for the direct manufacturing of molecular functional elements in nanodevices.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Analytical
Andreas Walz, Karolina Stoiber, Annette Huettig, Hartmut Schlichting, Johannes Barth
Summary: The prototype of a highly versatile and efficient preparative mass spectrometry system used for the deposition of molecules in ultrahigh vacuum (UHV) is presented. The system combines three designs of innovative ion guides, a novel digital mass-selective quadrupole (dQMF), and a standard electrospray ionization (ESI) source to achieve full control. The system demonstrates encouraging performance in terms of resolution and overall efficiency.
ANALYTICAL CHEMISTRY
(2022)
Article
Energy & Fuels
Nian Li, Renjun Guo, Anna Lena Oechsle, Manuel A. Reus, Suzhe Liang, Lin Song, Kun Wang, Dan Yang, Francesco Allegretti, Ajeet Kumar, Matthias Nuber, Jan Berger, Sigrid Bernstorff, Hristo Iglev, Juergen Hauer, Roland A. Fischer, Johannes V. Barth, Peter Mueller-Buschbaum
Summary: This study investigates the degradation mechanisms of solid-state dye-sensitized solar cells using grazing-incidence small-angle X-ray scattering. The results show that dye aggregation on the TiO2 surface leads to a decrease in device performance, and the decay is faster in small-pore TiO2 electrodes compared to big-pore ones.
Article
Materials Science, Multidisciplinary
Johannes T. Kuechle, Aleksandr Baklanov, Ari P. Seitsonen, Paul T. P. Ryan, Peter Feulner, Prashanth Pendem, Tien-Lin Lee, Matthias Muntwiler, Martin Schwarz, Felix Haag, Johannes Barth, Willi Auwaerter, David A. Duncan, Francesco Allegretti
Summary: This research reveals the presence of a second silicon species, a Si-Ag alloy, between the silicene and the silver substrate, which provides support for the silicene layer. The findings challenge the current understanding of the structural properties of the silicene/Ag(111) interface and may have implications for the stabilization of other 2D materials grown epitaxially on metal surfaces.
Article
Chemistry, Multidisciplinary
Peter Knecht, Dennis Meier, Joachim Reichert, David A. Duncan, Martin Schwarz, Johannes T. Kuechle, Tien-Lin Lee, Peter S. Deimel, Peter Feulner, Francesco Allegretti, Willi Auwaerter, Guillaume Medard, Ari Paavo Seitsonen, Johannes Barth, Anthoula C. Papageorgiou
Summary: Ru-porphyrins serve as pedestals for the assembly of N-heterocyclic carbenes (NHCs) on solid surfaces. A phenomenon of transferring Ru-porphyrin molecules from the surface to the next layer can be observed upon deposition of a simple NHC ligand on a close-packed Ru-porphyrin monolayer. The uptake of NHC induces a rearrangement of the molecular layer, which can be reversed by thermal desorption of the NHC ligand. Understanding such mass transport processes is crucial for surface functionalization with carbenes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Arash Badami-Behjat, Peter S. Deimel, Francesco Allegretti, Eva Ringel, Kingsuk Mahata, Michael Schmittel, Johannes V. Barth, Wolfgang M. Heckl, Markus Lackinger
Summary: The self-assembly of supramolecular monolayers at liquid-solid interfaces is a well-established research field. In this study, a passivated Au(111) surface with a monolayer of iodine atoms was used to explore the effects of the underlying surface on interfacial monolayers. The experiments revealed that molecule-surface interactions can cause substrate-induced polymorphism and significantly affect the thermodynamic stability of supramolecular monolayers. This study highlights the crucial and specific thermodynamic influence of the underlying surface on monolayer formation.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Salih Demirci, Taylan Gorkan, Safak Callioglu, V. Ongun Ozcelik, Johannes Barth, Ethem Aktuerk, Salim Ciraci
Summary: A hydrogenated carbon monolayer exhibits various functionalities and can be used in composite structures with topological properties. It has applications in energy storage and optoelectronics, and the commensurability of different materials ensures the effectiveness of these functionalities.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Computer Science, Information Systems
Richard Liangchen Wang
Summary: The article discusses the proposition that information is physical, and argues that the rules connecting representation with meaning in information cannot be the laws of physics. Instead, the rules for linguistic information, such as language vocabulary and grammar, determine how language corresponds to meaning. This distinction between the rules of information and the laws of physics separates information from physical substances.
JOURNAL OF INFORMATION SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Paul Leidinger, Mirco Panighel, Virginia Perez Dieste, Ignacio J. Villar-Garcia, Pablo Vezzoni, Felix Haag, Johannes V. Barth, Francesco Allegretti, Sebastian Guenther, Laerte L. Patera
Summary: Dynamic covalent chemistry is used for designing covalent organic frameworks with high crystallinity achieved through reversible bond formation. In this study, near-ambient pressure X-ray photoelectron spectroscopy is employed to investigate the reversible formation of a two-dimensional boroxine framework. By mapping the pressure-temperature parameter space, the regions where the rates of condensation and hydrolysis reactions dominate are identified, which enable the thermodynamically controlled growth of crystalline frameworks.
Article
Chemistry, Multidisciplinary
Federico Frezza, Frederik Schiller, Ales Cahlik, Jose Enrique Ortega, Johannes V. Barth, Andres Arnau, Maria Blanco-Rey, Pavel Jelinek, Martina Corso, Ignacio Piquero-Zulaica
Summary: In this study, quinoidal ligands were reacted with single cobalt atoms on an Au(788) surface in ultra-high vacuum, resulting in the formation of cobalt-quinoid chains. The electronic structure of these chains was investigated using angle-resolved photoemission spectroscopy, and their narrow bandgap structure was revealed using low-temperature scanning tunneling microscopy/spectroscopy. Theoretical calculations confirmed that the observed electronic bands originated from the efficient hybridization of cobalt and molecular orbitals. This work provides a foundation for the systematic search of similar one-dimensional π-d hybridized metal-organic chains with tunable electronic and magnetic properties.
Article
Chemistry, Multidisciplinary
Biao Yang, Kaifeng Niu, Nan Cao, Nitika Grover, Wenchao Zhao, Alexander Riss, Jonas Bjoerk, Willi Auwaerter, Johannes V. Barth, Mathias O. Senge
Summary: In this study, the behavior of 1,3-disubstituted BCP moieties on metal surfaces was examined using low-temperature scanning tunneling microscopy/non-contact atomic force microscopy studies and density functional theory modeling. The configuration, supramolecular assembly, and thermally activated dehalogenative coupling reactions of BCP-containing precursors on Au(111) were investigated, resulting in the formation of polymeric chains. These findings provide sub-molecular insights into the behavior of BCP scaffolds on surfaces and expand the potential application of BCP derivatives in custom-designed surface architectures.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Taylan Gorkan, Salih Demirci, Johannes V. Barth, Ethem Aktuerk, Salim Ciraci
Summary: Based on first-principles calculations, it is predicted that the 2H-MoS2 monolayer can also exist in a stable biphenylene network phase (B-MoS2). B-MoS2 has a narrow band gap, directional electronic conduction, and strong absorption in the near-infrared region. It can form multilayers and a metallic 3D layered crystal, and its band gap can be modulated under applied strains.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Dhaneesh Kumar, Jack Hellerstedt, Benjamin Lowe, Agustin Schiffrin
Summary: On-surface molecular self-assembly enables the bottom-up synthesis of 2D systems with precise morphologies and electronic properties. However, it remains challenging to achieve self-assembly on insulators and semiconductors. In this study, a 2D organic molecular film was successfully self-assembled on a wide bandgap insulator, single-layer hexagonal boron nitride, on copper. This opens up possibilities for large-area, precise, and highly crystalline 2D organic nanomaterials on wide bandgap insulators.
Article
Multidisciplinary Sciences
Nan Cao, Biao Yang, Alexander Riss, Johanna Rosen, Jonas Bjork, Johannes V. Barth
Summary: Enetriynes, a distinct class of highly conjugated pi-system compounds, are formed with high selectivity by tetramerization of terminal alkynes on Ag(100) surface. The formation is induced by O-2 exposure, resulting in deprotonation of terminal alkyne moieties and the evolution of organometallic bis-acetylide dimer arrays. Subsequent thermal annealing leads to the generation of tetrameric enetriyne-bridged compounds, which readily self-assemble into regular networks. High-resolution scanning probe microscopy, X-ray photoelectron spectroscopy, and density functional theory calculations are employed to examine the structural features, bonding characteristics, and reaction mechanism.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Nan Cao, Jonas Bjoerk, Eduardo Corral-Rascon, Zhi Chen, Mario Ruben, Mathias O. Senge, Johannes V. Barth, Alexander Riss
Summary: This study investigates how aromaticity affects the reactivity of alkyne-substituted porphyrin molecules on a Au(111) surface. The experiments show that carbon atoms stabilized by aromaticity display lower reactivity, which is consistent with density functional theory calculations.
