Article
Chemistry, Multidisciplinary
Wei Zhang, Zhibin Zhao, Min Tan, Adila Adijiang, Shurong Zhong, Xiaona Xu, Tianran Zhao, Emusani Ramya, Lu Sun, Xueyan Zhao, Zhiqiang Fan, Dong Xiang
Summary: The binding orientation of molecules with respect to the electrode is crucial for the performance of molecular devices. However, modulating the binding orientation of single molecules in situ remains challenging. In this study, we demonstrate that the conductance of pyridine-anchored molecular junctions can be controlled by the applied voltage using a STM-BJ technique. Flicker noise measurements and theoretical calculations support the notion that the orientation of nitrogen-gold bonds in the molecular junctions can be manipulated by the mechanical stretching force and electric fields.
Article
Chemistry, Physical
Dongzhe Li, Yongfeng Tong, Kaushik Bairagi, Massine Kelai, Yannick J. Dappe, Jerome Lagoute, Yann Girard, Sylvie Rousset, Vincent Repain, Cyrille Barreteau, Mads Brandbyge, Alexander Smogunov, Amandine Bellec
Summary: In this study, a pronounced negative differential resistance (NDR) was observed in spin-crossover (SCO) molecular devices through low-temperature scanning tunneling microscopy (STM) and spectroscopy. The NDR was found to be robust with respect to various factors, indicating its intrinsic relation to the electronic structure of the SCO molecule.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Iulia Cojocariu, Matteo Jugovac, Sidra Sarwar, Jeff Rawson, Sergio Sanz, Paul Koegerler, Vitaliy Feyer, Claus Michael Schneider
Summary: This article explores the unique optoelectronic properties of organic p-n junctions in the field of molecular electronics by adjusting the fluorination level in metal-supported bilayered Pc-based structures, with potential application in photovoltaic devices.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Frederik H. van Veen, Luca Ornago, Herre S. J. van der Zant, Maria El Abbassi
Summary: This study investigates the variation in conductance values of alkanes using the mechanically controlled break junction technique. By analyzing the time evolution and distance dependence of the measured traces, the single-molecule conductance values for fully stretched molecular configurations are determined. The results provide crucial information for determining the molecular junction configuration.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Xinlei Yao, Maxime Vonesch, Maiwenn Combes, Jean Weiss, Xiaonan Sun, Jean-Christophe Lacroix
Summary: This study demonstrates the preparation of highly stable single-molecule junctions using diazonium grafting approach. The conductance of porphyrin oligomers is relatively efficient and influenced by the presence of cobalt center, showing a long stability around 10 seconds. Random telegraph signals easily record on/off states of SMJs, indicating the potential applications of this approach in constructing stable molecular junctions.
Article
Chemistry, Physical
Ning Cao, William Bro-Jorgensen, Xiaohong Zheng, Gemma C. Solomon
Summary: Quantum interference effects in conjugated molecules, specifically benzene, are well-understood and have been studied extensively. Recently, it has been discovered that even saturated molecules can exhibit destructive quantum interference effects, but the manifestation of orbital contributions in these molecules is still unclear. This study demonstrates that the quantum interference effects in conjugated molecules are distinct from those observed in saturated molecules, as shown by the quantum interference map. The destructive interference in saturated systems arises when contributions from a larger number of non-paired orbitals cancel each other, leading to more subtle and varied manifestations of destructive interference.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Condensed Matter
Joel G. Fallaque, Sandra Rodriguez-Gonzalez, Fernando Martin, Cristina Diaz
Summary: A theoretical tool for studying the conductance of molecular junctions was efficiently implemented and validated using experimental data, ensuring its robustness and accuracy.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Materials Science, Multidisciplinary
Mahnoosh Rostami chayjan, Isa Ahmadi, Farhad Khoeini
Summary: This study proposes a combined modeling of molecular mechanics and the tight-binding approach to investigate the effects of external factors on the electronic transport properties of nanomaterials, focusing on armchair graphene nanoribbons. The presence of vacancy defects in the structure leads to the transition from a metal to a semiconductor phase, with the energy gap size increasing with the number of defects. Adjusting parameters such as the number of defects and magnitude of local forces allows for control of the transport gap of the system, which may have implications for the design of nano-electromechanical systems.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Yujing Wei, Liang Li, Julia E. Greenwald, Latha Venkataraman
Summary: Understanding the relationship between molecular geometry and electronic properties of single-molecule junctions is challenging. In this study, we investigated this relationship by applying a sinusoidal modulation to the molecular junction electrode position. We found that junctions formed with molecules having different molecule-electrode interfaces exhibited statistically distinguishable Fourier-transformed conductances. Our findings suggest that voltage-modulated van der Waals interactions play a significant role in the conductance of single-molecule junctions.
Article
Multidisciplinary Sciences
Jeffrey R. Reimers, Tiexin Li, Andre P. Birve, Likun Yang, Albert C. Aragones, Thomas Fallon, Daniel S. Kosov, Nadim Darwish
Summary: Investigation of single-molecule piezoresistor and its reaction mechanism was conducted. The piezoresistance was characterized using scanning tunnelling microscopy break junction technique, and a kinetic Monte Carlo method was developed for simulation. Results indicate that the piezoresistance is controlled by both constitutional and conformational isomerisation.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Jeffrey R. Reimers, Tiexin Li, Andre P. Birve, Likun Yang, Albert C. Aragones, Thomas Fallon, Daniel S. Kosov, Nadim Darwish
Summary: This study presents a nanoscale electro-mechanical system (NEMS) piezoresistor based on a single molecule, which can change its shape through isomerisation and is observed using scanning tunnelling microscopy break junction techniques. The results provide insight into the control of piezoresistance and the dynamics of single-molecule reactions.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Ravinder Kumar, Charu Seth, Ravindra Venkatramani, Veerabhadrarao Kaliginedi
Summary: The ability to control single molecule electronic conductance is crucial for functional molecular electronics applications. Quantum interference effects can be used to control electronic transmission through single molecular junctions by adjusting the molecular structure or the position of the anchoring groups. This study demonstrates that quantum interference effects can even be harnessed in simple aliphatic systems. External mechanical stimulus can be used to tune the charge transport properties of single molecules.
Article
Chemistry, Multidisciplinary
Ravinder Kumar, Charu Seth, Ravindra Venkatramani, Veerabhadrarao Kaliginedi
Summary: The ability to control single molecule electronic conductance is crucial for various applications in molecular electronics. Our study demonstrates that quantum interference effects originating from anchoring groups can be used to design single molecule electronic devices. We show that these interference features can be mechanically modulated to tune the charge transport properties of single molecules.
Article
Biochemistry & Molecular Biology
Ramona Matuseviciute, Egle Ignataviciute, Rokas Mickus, Sergio Bordel, Vytenis Arvydas Skeberdis, Vytautas Raskevicius
Summary: This study used molecular docking, QSAR, and 3D-QSAR to evaluate known Cx43 GJ inhibitors and identified a potential inhibitor - d-limonene. Experimental validation showed a good correlation between predicted and experimental inhibitory concentrations.
Review
Chemistry, Inorganic & Nuclear
Munetaka Akita, Yuya Tanaka
Summary: This review discusses recent advances in the study of single molecule conductance behavior of MMM junctions based on carbon-rich organometallics. Energy alignment between the wire part and the electrodes has significantly improved the conductance of MMM junctions, achieving long range carrier transport.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Maria Camarasa-Gomez, Daniel Hernangomez-Perez, Michael S. Inkpen, Giacomo Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, Ferdinand Evers
Review
Physics, Multidisciplinary
Ferdinand Evers, Richard Korytar, Sumit Tewari, Jan M. van Ruitenbeek
REVIEWS OF MODERN PHYSICS
(2020)
Article
Physics, Multidisciplinary
Johannes Dieplinger, Soumya Bera, Ferdinand Evers
Summary: The Sachdev-Ye-Kitaev (SYK) model is a rare example of a strongly-interacting system that is analytically tractable due to its largely structureless design. By investigating a variant of the complex SYK model, it was found to exhibit two integrable phases and several intermediate phases, including a chaotic one, which shows characteristic SYK-signatures. The chaotic phase is believed to be adiabatically connected to the non-Fermi liquid phase of the original SYK model, indicating a bridge from the SYK model towards microscopic realism.
Article
Multidisciplinary Sciences
C. P. Schmid, L. Weigl, P. Groessing, V Junk, C. Gorini, S. Schlauderer, S. Ito, M. Meierhofer, N. Hofmann, D. Afanasiev, J. Crewse, K. A. Kokh, O. E. Tereshchenko, J. Guedde, F. Evers, J. Wilhelm, K. Richter, U. Hoefer, R. Huber
Summary: This study experimentally demonstrates high-order harmonic generation in a three-dimensional topological insulator, bismuth telluride. By using a specific frequency of the driving field, the generation of high-order harmonics from the bulk and topological surface was successfully differentiated, revealing unconventional HH generation processes.
Article
Chemistry, Physical
Martin Zonda, Oleksandr Stetsovych, Richard Korytar, Markus Ternes, Ruslan Temirov, Andrea Raccanelli, F. Stefan Tautz, Pavel Jelinek, Tomas Novotny, Martin Svec
Summary: This study demonstrates a method to resolve the challenge of determining the molecular Kondo temperature by using additional control parameters. The results show that analyzing conductance in different external magnetic fields can help solve the ambiguity in estimating T-K.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Multidisciplinary Sciences
Jinbo Peng, Sophia Sokolov, Daniel Hernangomez-Perez, Ferdinand Evers, Leo Gross, John M. Lupton, Jascha Repp
Summary: In this study, the triplet lifetime of molecules was directly measured using single-molecule manipulation techniques with atomic resolution, revealing strong quenching effects when oxygen molecules are coadsorbed closely. The electrical addressing of long-lived triplets of single molecules, combined with atomic-scale manipulation, provides new routes to control and study local spin-spin interactions.
Article
Chemistry, Multidisciplinary
Vaibhav Varade, Golam Haider, Artur Slobodeniuk, Richard Korytar, Tomas Novotny, Vaclav Holy, Jiri Miksatko, Jan Plsek, Jan Sykora, Miriam Basova, Martin Zacek, Martin Hof, Martin Kalbac, Jana Vejpravova
Summary: We demonstrate a class of layered valley-spin hybrid (VSH) materials composed of a monolayer two-dimensional (2D) semiconductor and double-decker single molecule magnets (SMMs). The interaction of the VSH components gives rise to the intersystem crossing of the photogenerated carriers and moderate p-doping of the MoS2 monolayer. By helicity-resolved photoluminescence (PL) microspectroscopy, we observed enhanced A exciton-related valley emission at room temperature and elucidated the mechanism behind it. Our study shows the experimental feasibility and great promises of ultrathin VSH materials for opto-spintronic, valleytronic, and quantum information concepts.
Article
Chemistry, Multidisciplinary
Biswajit Pabi, Jakub Sebesta, Richard Korytar, Oren Tal, Atindra Nath Pal
Summary: In contrast to silicon-based transistors, single molecule junctions can be gated by simple mechanical means. The molecular orientation is a new degree of freedom that can be used to optimize mechanically gated molecular junctions.
Article
Nanoscience & Nanotechnology
Richard Korytar, Ferdinand Evers
Summary: In this paper, an alternative driving agent for molecular rotors is presented, which works even when angular momentum is conserved. Through quantitative analysis using a classical model, it is shown that in the presence of chirality, the rotor undergoes directed motion as long as the incident current exceeds a threshold value.
BEILSTEIN JOURNAL OF NANOTECHNOLOGY
(2023)
Article
Chemistry, Physical
Jan M. M. van Ruitenbeek, Richard Korytar, Ferdinand Evers
Summary: By introducing a simple model system, we have found that chirality-induced spin selectivity can be understood as the result of constructive interference of partial waves scattered by the spin-orbit terms. Forward scattering rates are found to be independent of spin, while back scattering is spin dependent over wide energy windows.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Sujoy Karan, Tobias Frank, Tobias Preis, Jonathan Eroms, Jaroslav Fabian, Ferdinand Evers, Jascha Repp
Summary: This study investigates the interaction between a zero-energy edge mode in a graphene nanoribbon and an Abrikosov-Suhl resonance located at a Kondo impurity. By on-surface synthesis and atomic manipulation, the atomic geometry of the system is fully controlled. The results show that the interaction of the two localized states and the resulting signatures of Kondo physics are highly sensitive to the placement of the atom, suggesting its use as a laboratory to study the interplay of the Kondo effect with other zero-bias anomalies and tailor these states by controlling the atomic-scale coupling.
Article
Materials Science, Multidisciplinary
Martin Puschmann, Daniel Hernangomez-Perez, Bruno Lang, Soumya Bera, Ferdinand Evers
Summary: This study investigates the multifractal spectrum tau(q) in the spin quantum Hall transition and proposes a new method for its extraction, which provides high precision. The analysis shows that in a certain range, the P-q distribution function exhibits scaling collapse in the preasymptotic regime.
Article
Materials Science, Multidisciplinary
Jan Wilhelm, Patrick Groessing, Adrian Seith, Jack Crewse, Maximilian Nitsch, Leonard Weigl, Christoph Schmid, Ferdinand Evers
Summary: In this study, we rederive the semiconductor Bloch equations and establish a close link to the Berry connection. Our rigorous derivation reveals the existence of two additional contributions to the current, which significantly impact the emission intensity in situations with strong dephasing or wave-number dependence. The added terms from these contributions can alter the total signal by up to a factor of 10 in high-harmonic generation for a Dirac metal.
Article
Materials Science, Multidisciplinary
Sourav Nandy, Ferdinand Evers, Soumya Bera
Summary: Many-body localization is a theoretical concept describing the interplay of quantum interference and many-body interaction-induced dephasing. The study investigates how dephasing affects observable variance in the disordered spinless Hubbard model, revealing strong temporal fluctuations in local charge density. Results comparing exact computations with the time-dependent Hartree-Fock approximation shed light on the correlations underlying the damping mechanism and its implications for experimentally relevant observables.
Article
Materials Science, Multidisciplinary
Daniel Hernangomez-Perez, Jakob Schloer, David A. Egger, Laerte L. Patera, Jascha Repp, Ferdinand Evers
