A5081964395- Molecular Junctions and Nanostructures
- Quantum and electron transport phenomena
- Neutrino Physics Research
- Graphene research and applications
- Dark Matter and Cosmic Phenomena
- DNA and Nucleic Acid Chemistry
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Particle physics theoretical and experimental studies
- Particle Detector Development and Performance
- Advanced biosensing and bioanalysis techniques
- Thermal properties of materials
- Atomic and Subatomic Physics Research
- Advanced Thermoelectric Materials and Devices
- Surface and Thin Film Phenomena
- Carbon Nanotubes in Composites
- Force Microscopy Techniques and Applications
- Radiation Detection and Scintillator Technologies
- Quantum-Dot Cellular Automata
- Spectroscopy and Quantum Chemical Studies
- Mechanical and Optical Resonators
- Astrophysics and Cosmic Phenomena
- Surface Chemistry and Catalysis
- Organic Electronics and Photovoltaics
- Semiconductor materials and devices
Max Bergmann Zentrum für Biomaterialien
2016-2025
Worcester Polytechnic Institute
2025
Technische Universität Dresden
2015-2024
Instituto Tecnológico de Ciudad Madero
2024
New York University Abu Dhabi
2020-2023
New York University
2021-2023
Universidad Antonio Nariño
2013-2022
University of Holguín
2021
University of Coimbra
2017
Universidad Nacional Autónoma de México
2016
Spin-based properties, applications, and devices are commonly related to magnetic effects materials. Most of the development in spintronics is currently based on inorganic Despite fact that magnetoresistance effect has been observed organic materials, until now spin selectivity originated from an ferromagnetic electrode was not determined by molecules themselves. Here we show conduction through double-stranded DNA oligomers selective, demonstrating a true filter. The exceeds any known system...
Highly spin-selective transport of electrons through a helically shaped electrostatic potential is demonstrated in the frame minimal model approach. The effect significant even for weak spin-orbit coupling. Two main factors determine selectivity: an unconventional Rashba-like interaction, reflecting helical symmetry system, and weakly dispersive electronic band system. coupling, associated with small dispersion, leads to low mobility charges system allows interactions be effective. results...
The interaction of low-energy photoelectrons with well-ordered monolayers enantiopure helical heptahelicene molecules adsorbed on metal surfaces leads to a preferential transmission one longitudinally polarized spin component, which is strongly coupled the sense molecules. Heptahelicene, composed only carbon and hydrogen atoms, exhibits single turn but shows excess in longitudinal polarization about P Z = 6 8% after initially balanced left- right-handed electrons. Insight into electronic...
NEXT-100 is an electroluminescent high-pressure xenon gas time projection chamber that will search for the neutrinoless double beta (0νββ) decay of 136Xe. The detector possesses two features great value 0νββ searches: energy resolution better than 1% FWHM at Q 136Xe and track reconstruction discrimination signal background events. This combination results in excellent sensitivity, as discussed this paper. Material-screening measurements a detailed Monte Carlo simulation predict rate most 4 ×...
This study is devoted to a consistent derivation of an effective model Hamiltonian describe spin transport along helical pathway and in the presence spin–orbit interaction, latter being induced by external field with symmetry. It found that sizable polarization unpolarized incoming state can be obtained without introducing phase breaking processes. For this, at least two energy levels per lattice site tight-binding representation are needed. Additionally, asymmetries electronic-coupling...
Graphene layers have been targeted in the last years as excellent host materials for sensing a remarkable variety of gases and molecules. Such abilities can also benefit other important scientific fields such medicine biology. This has automatically led scientists to probe graphene potential platform sequencing DNA strands. In this work, we use robust numerical tools model dynamic electronic properties molecular sensor devices composed nanopore through which molecules are driven by external...
Two-dimensional semiconductor materials with puckered structure offer a novel playground to implement nanoscale thermoelectric, electronic, and optoelectronic devices improved functionality. Using combination of approaches compute the electronic phonon band structures Green's function based transport techniques, we address thermoelectric performance phosphorene, arsenene, SnS monolayers. In particular, study influence anisotropy in phononic properties its impact on figure merit ZT. Our...
Chirality-induced spin selectivity (CISS) is a recently discovered effect, whose precise microscopic origin has not yet been fully elucidated; it seems, however, clear that spin–orbit interaction plays pivotal role. Various model Hamiltonian approaches have proposed, suggesting close connection between and filtering helical symmetry. However, first-principles studies revealing the influence of chirality on polarization are missing. To clearly demonstrate conformation properties, we carried...
Abstract The coupling of different 2D materials (2DMs) to form van der Waals heterostructures (vdWHs) is a powerful strategy for adjusting the electronic properties semiconductors, applications in opto‐electronics and quantum computing. molybdenum disulfide (MoS 2 ) represents an archetypical semiconducting, monolayer thick versatile platform generation hybrid vdWH with tunable charge transport characteristics through its interfacing molecules assemblies thereof. However, physisorption...
We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining local chemical tuning of the electronic states with use semiconducting electrodes. The former allows control position highest-occupied orbital (HOMO) transmission resonance respect Fermi energy while latter fulfills twofold purpose: suppression electronlike contributions thermopower and cutoff HOMO tails into semiconductor band gap. As result large can be obtained. Our results strongly...
A new method to tag the barium daughter in double-beta decay of ^{136}Xe is reported. Using technique single molecule fluorescent imaging (SMFI), individual dication (Ba^{++}) resolution at a transparent scanning surface demonstrated. single-step photobleach confirms ion interpretation. Individual ions are localized with superresolution (∼2 nm), and detected statistical significance 12.9σ over backgrounds. This lays foundation for potentially background-free neutrinoless technology, based on...
Spin-dependent effects in helical molecular systems, leading to the so-called chirality-induced spin selectivity (CISS) effect, have strongly attracted attention of chemical and physical community over past few years. A large amount experimental material has been collected so far, different theoretical approaches presented rationalize CISS effect. The problem is, however, still a subject debate. We present semianalytical coarse-grained atomistic description electronic structure simple...
We investigate the influence of molecular vibrations on tunneling electrons through an octane−thiolate sandwiched between two gold contacts. The coherent and incoherent currents are computed using non-equilibrium Green's functions formalism. Both system Hamiltonian electron−phonon interaction obtained from first-principles DFT calculations, including a microscopic treatment This method allows to study explicitly each individual vibrational mode show detailed analysis power dissipated in wire.
We present a hybrid method based on combination of classical molecular dynamics simulations, quantum-chemical calculations, and model Hamiltonian approach to describe charge transport through biomolecular wires with variable lengths in presence solvent. The core our consists mapping the electronic structure, as obtained from density-functional tight-binding calculations structures along trajectories, onto low-dimensional including coupling dissipative bosonic environment. latter encodes...
We investigate in detail the charge transport characteristics of DNA wires with various sequences and lengths presence solvent. Our approach combines large-scale quantum/classical molecular dynamics (MD) simulations calculations based on Landauer theory. The quantum mechanical transmission function wire is calculated along MD trajectories thus encodes influence dynamical disorder arising from environment (water, backbone, counterions) internal base dynamics. show that correlated fluctuations...
We report on spin transport along double-helical molecular systems by considering various contact configurations and asymmetries between the two helical strands in regime of completely coherent charge transport. Our results reveal that no polarization appears two-terminal devices when coupled to one-dimensional electrodes. The same holds case finite-width electrodes if there is a bottleneck one single site system electrode-molecule-electrode. Then, additional dephasing necessary induce...
The physical origin of the so-called chirality-induced spin selectivity (CISS) effect has puzzled experimental and theoretical researchers over past few years. Early experiments were interpreted in terms unconventional spin-orbit interactions mediated by helical geometry. However, more recent studies have clearly revealed that electronic exchange also play a key role magnetic response chiral molecules singlet states. In this investigation, we use spin-polarized closed shell density...
By employing a mechanically controllable break junction technique, we have realized an ideal single molecular linear actuator based on dithienylethene (DTE) architecture, which undergoes reversible photothermal isomerization when subjected to UV irradiation under ambient conditions. As result, open form (compressed, OFF) and closed (elongated, ON) of dithienylethene-based junctions are achieved. Interestingly, the mechanical actuation is achieved without changing conductance around Fermi...
We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting C$_{60}$ molecule sandwiched between two semi-infinite metallic nanotubes. It is shown that the Landauer conductance this hybrid system can be tuned within orders magnitude not only by varying tube-C$_{60}$ distance, but more importantly at fixed distances i) changing orientation Buckminsterfullerene or ii) rotating one tubes around its cylinder axis. Furthermore, it explicitely...
The electrical conduction properties of G4-DNA are investigated using a hybrid approach, which combines electronic structure calculations, molecular dynamics (MD) simulations, and the formulation an effective tight-binding model Hamiltonian. Charge transport is studied by computing transmission functions along MD trajectories. Though structurally more stable than double-stranded DNA (dsDNA), our results strongly suggest that potential improvement in former not necessarily related to...
Organic Zener diodes with a precisely adjustable reverse breakdown from -3 V to -15 without any influence on the forward current-voltage curve are realized. This is accomplished by controlling width of charge depletion zone in pin-diode an accuracy one nanometer independently doping concentration and thickness intrinsic layer. The effect its exponential current voltage behavior weak temperature dependence explained tunneling mechanism across HOMO-LUMO gap neigh- boring molecules....