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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices

The intra-molecular coupling within multiple units of paramagnetic molecules can produce various effects on molecular spintronics devices (MSD). Here, this paper focuses on double-segmented molecules as the device element to advance understanding of the Impact of internal molecular structure on magnetic tunnel junction-based MSD (MTJMSD). We performed Monte Carlo simulations (MCS) to fill the knowledge gap about the intramolecular coupling role in the magnetic properties of the MTJMSD. This study explored a double-segmented molecule containing two atomic sections, each with a net spin state interacting via Heisenberg exchange coupling within molecules and with ferromagnetic electrodes at different thermal energies, magnetic fields, and coupling strengths. This study also investigated the effect of magnetic field on the double-segmented molecule-based cross-junction-shaped MTJMSD. We also compared the effect of the magnetic field on the mono and double-segmented molecules when connected to two ferromagnetic electrodes. In the strong coupling regime, the intramolecular coupling and molecule coupling with the two ferromagnetic electrodes dominated the MTJMSD response near the molecular junction area. This study provides insight for evaluating the impact of molecular nanostructure internal connectedness on the integrated MSD.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Long‐Range Non‐Coulombic Coupling at the LaAlO 3 /SrTiO 3 Interface

The LaAlO 3 /SrTiO 3 interface hosts a plethora of gate‐tunable electronic phases. Gating of LaAlO 3 /SrTiO 3 interfaces is usually assumed to occur electrostatically. However, increasing evidence suggests that non‐local interactions can influence and, in some cases, dominate the coupling between applied gate voltages and electronic properties. Here, quasi‐1D ballistic electron waveguides are sketched at the LaAlO 3 /SrTiO 3 interface as a probe to understand how gate tunability varies as a function of spatial separation. Gate tunability measurements reveal the scaling law to be at odds with the pure electrostatic coupling observed in traditional semiconductor systems. The non‐Coulombic gating at the interface is attributed to a long‐range nanoelectromechanical coupling between the gate and electron waveguide, possibly mediated by the ferroelastic domains in SrTiO 3 . The long‐range interactions at the LaAlO 3 /SrTiO 3 interface add unexpected richness and complexity to this correlated electron system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

An Organic Semiconductor Organized into 3D DNA Arrays by “Bottom-up” Rational Design

Here, a 3D array of organic semiconductors was assembled using a DNA scaffold. An octameric aniline molecule (“octaniline”) was incorporated into a DNA building block based on a dimeric tensegrity triangle. The construct self-assembled to form a 3D crystal. Reversible redox conversion between the pernigraniline and leucoemeraldine states of the octaniline is retained in the crystal. Protonic doping gave emeraldine salt at pH 5, corresponding to the conductive form of polyaniline. Redox cycling within the crystal was visualized by color changes and Raman microscopy. The ease of conversion between the octaniline states suggests that it is a viable electronic switch within a unique 3D structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Formal Equivalence Between Partitioned and Partition-Free Quenches in Quantum Transport

In this paper, we review the partitioned and partition-free approaches to the calculation of the time-dependent response of a molecular junction to the switch-on of an arbitrary time-dependent bias. Using the nonequilibrium Green’s function formalism on different time contours, we derive a formal equivalence between these two approaches. This clarifies a recent result of Odashima and Lewenkopf (Phys Rev B 95:104301, 2017), which is valid for a static bias and single-level molecular structure, and extends it to arbitrary time-dependent biases and arbitrarily large molecular structures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Scaling and statistics of bottom-up synthesized armchair graphene nanoribbon transistors

Bottom-up assembled nanomaterials and nanostructures allow for the studies of rich and unprecedented quantum-related and mesoscopic transport phenomena. However, it can be difficult to quantify the correlations between the geometrical or structural parameters obtained from advanced microscopy and measured electrical characteristics when they are made into macroscopic devices. Here, we propose a strategy to connect the nanomaterial morphologies and the device performance through a Monte Carlo device model and apply it to understand the scaling trends of bottom-up synthesized armchair graphene nanoribbon (GNR) transistors. A new nanofabrication process is developed for GNR transistors with channel length down to 7 nm. Further, the impacts of the GNR spatial distributions and the device geometries on the device performance are investigated systematically through comparison of experimental data with the model. Through this study, challenges and opportunities of transistor technologies based on bottom-up synthesized GNRs are pinpointed, paving the way to the further improvement of the GNR device performance for future transistor technology nodes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Synthesis of Armchair Graphene Nanoribbons on Germanium-on-Silicon

The synthesis of graphene nanoribbons on complementary metal– oxide–semiconductor-compatible substrates is a significant challenge hindering their integration into commercial semiconductor electronics. Here, the bottom-up synthesis of armchair graphene nanoribbons on epilayers of Ge on Si(001) via chemical vapor deposition is demonstrated. The synthesis leverages the previous discovery that graphene crystal growth can be driven with an extreme shape anisotropy on Ge(001) surfaces to directly form nanoribbons. However, compared to nanoribbon synthesis on Ge(001), synthesis on Ge/Si(001) is complicated by the possibility of Si diffusion to the Ge surface and the presence of threading dislocations. Herein, we demonstrate that similar to Ge(001), armchair nanoribbons with faceted edges and sub-10 nm widths can indeed be grown on Ge/Si(001). The nanoribbon synthesis proceeds faster than the diffusion of Si to the Ge surface if a sufficiently thick Ge epilayer is used (e.g., 3 μm), thereby avoiding competing reactions that form SiC. Moreover, threading dislocations in the Ge epilayer are not observed to affect the nucleation or anisotropic growth kinetics of the nanoribbons. Furthermore, these results demonstrate that previous successes in graphene nanoribbon synthesis on Ge(001) can be extended to Si(001) by using epilayers of Ge, motivating the future exploration of this promising platform for hybrid semiconducting graphene/Si electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Charged Ferroelectric Domain Walls for Deterministic ac Signal Control at the Nanoscale

The direct current (dc) conductivity and emergent functionalities at ferroelectric domain walls are closely linked to the local polarization charges. Depending on the charge state, the walls can exhibit unusual dc conduction ranging from insulating to metallic-like, which is leveraged in domain-wall-based memory, multilevel data storage, and synaptic devices. In contrast to the functional dc behaviors at charged walls, their response to alternating currents (ac) remains to be resolved. Here, we reveal ac characteristics at positively and negatively charged walls in ErMnO 3 , distinctly different from the response of the surrounding domains. By combining voltage-dependent spectroscopic measurements on macroscopic and local scales, we demonstrate a pronounced nonlinear response at the electrode-wall junction, which correlates with the domain-wall charge state. The dependence on the ac drive voltage enables reversible switching between uni- and bipolar output signals, providing conceptually new opportunities for the application of charged walls as functional nanoelements in ac circuitry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Nanoscale Control of the Metal–Insulator Transition at LaAlO 3 /KTaO 3 Interfaces

Recent reports of superconductivity at KTaO 3 (KTO) (110) and (111) interfaces have sparked intense interest due to the relatively high critical temperature as well as other properties that distinguish this system from the more extensively studied SrTiO 3 (STO)-based heterostructures. Here, we report the reconfigurable creation of conducting structures at intrinsically insulating LaAlO 3 / KTO(110) and (111) interfaces. Devices are created using two distinct methods previously developed for STO-based heterostruc-tures: (1) conductive atomic-force microscopy lithography and (2) ultralow-voltage electron-beam lithography. At low temperatures, KTO(110)-based devices show superconductivity that is tunable by an applied back gate. A one-dimensional nanowire device shows single-electron-transistor (SET) behavior. A KTO(111)-based device is metallic but does not become superconducting. Finally, these reconfigurable methods of creating nanoscale devices in KTO-based heterostructures offer new avenues for investigating mechanisms of superconductivity as well as development of quantum devices that incorporate strong spin-orbit interactions, superconducting behavior, and nanoscale dimensions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Atomically Precise Graphene Nanoribbon Transistors with Long-Term Stability and Reliability

Atomically precise graphene nanoribbons (GNRs) synthesized from the bottom-up exhibit promising electronic properties for high-performance field-effect transistors (FETs). The feasibility of fabricating FETs with GNRs (GNRFETs) has been demonstrated, with ongoing efforts aimed at further improving their performance. However, their long-term stability and reliability remain unexplored, which is as important as their performance for practical applications. In this work, we fabricated short-channel FETs with nine-atom-wide armchair GNRs (9-AGNRFETs). We revealed that the on-state (/ ON ) current performance of the 9-AGNRFETs deteriorates significantly over consecutive full transistor on and off logic cycles, which has neither been demonstrated nor previously considered. To address this issue, we deposited a thin ~10 nm thick atomic layer deposition (ALD) layer of aluminum oxide (Al 2 O 3 ) directly on these devices. The integrity, compatibility, electrical performance, stability, and reliability, of the GNRFETs before and/or after Al 2 O 3 deposition were comprehensively studied. The results indicate that the observed decline in electrical device performance is most likely due to the degradation of contact resistance over multiple measurement cycles. We successfully demonstrated that the devices with the Al 2 O 3 layer operate well up to several thousand continuous full cycles without any degradation. Our study offers valuable insights into the stability and reliability of GNR transistors, which could facilitate their large-scale integration into practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A small heterocyclic molecule as a multistate transistor: a quantum many-body approach

Weakly coupled molecular junctions are an active and important field of research due to their non-linear charge carrier transport. In this study, we investigate transport properties in a weakly coupled molecule, B 2 C 2 N 2 H 6 , using a combined quantum many-body approach and kinetic (master) equations. Various non-linear current–voltage characteristics such as negative differential conductance (NDC), rectifications, and Coulomb staircase, which are the hallmarks of multistate transport devices, have been obtained. We further explore the effect of different perturbations such as gate voltage and perpendicular magnetic field on molecular transport. Depending on the strength of the applied perturbing field, several phenomena such as current switching, and suppression of NDC, have been realized in the device. This study demonstrates small molecules as promising components in next-generation nano-devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Direct detection of a transport-blocking trap in a nanoscaled silicon single-electron transistor by radio-frequency reflectometry

The continuous downscaling of transistors results in nanoscale devices which require fewer and fewer charged carriers for their operation. The ultimate charge controlled device, the single-electron transistor (SET), controls the transfer of individual electrons. It is also the most sensitive electrometer, and as a result the electron transport through it can be dramatically affected by nearby charges. Standard direct-current characterization techniques, however, are often unable to unambiguously detect and resolve the origin of the observed changes in SET behavior arising from changes in the charge state of a capacitively coupled trap. Using a radio-frequency (RF) reflectometry technique, we are able to unequivocally detect this process, in very close agreement with modeling of the trap's occupation probability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Phonon dispersion and quantization tuning of strained carbon nanotubes for flexible electronics

Graphene and carbon nanotubes are materials with large potentials for applications in flexible electronics. Such devices require a high level of sustainable strain and an understanding of the materials electrical properties under strain. Using supercell theory in conjunction with a comprehensive molecular mechanics model, the full band phonon dispersion of carbon nanotubes under uniaxial strain is studied. The results suggest an overall phonon softening and open up the possibility of phonon quantization tuning with uniaxial strain. The change in phonon quantization and the resulting increase in electron-phonon and phonon-phonon scattering rates offer further explanation and theoretical basis to the experimental observation of electrical properties degradation for carbon nanotubes under uniaxial strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Rectification induced in N{sub 2}{sup AA}-doped armchair graphene nanoribbon device

By using non-equilibrium Green function formalism in combination with density functional theory, we investigated the electronic transport properties of armchair graphene nanoribbon devices in which one lead is undoped and the other is N{sub 2}{sup AA}-doped with two quasi-adjacent substitutional nitrogen atoms incorporating pairs of neighboring carbon atoms in the same sublattice A. Two kinds of N{sub 2}{sup AA}-doped style are considered, for N dopants substitute the center or the edge carbon atoms. Our results show that the rectification behavior with a large rectifying ratio can be found in these devices and the rectifying characteristics can be modulated by changing the width of graphene nanoribbons or the position of the N{sub 2}{sup AA} dopant. The mechanisms are revealed to explain the rectifying behaviors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

On plasmon-induced photocurrent and doping of metal-patterned graphene

Patterning graphene with noble metal plasmonic nanostructures to enhance and to manipulate the optical and electronic properties of graphene promises a variety of technological innovations in the field of nano-optoelectronics. In this report, we briefly revisit photoconduction experiments done recently on graphene plasmonic sensors and show that the excess electrical current generated in response to spatially non-uniform optical excitation is primarily induced by a photo-thermo-electric effect in the graphene itself. As this mechanism has nothing to do with the excess free carrier generation common with conventional semiconductors, the plasmonic nanostructures cannot be utilized to regulate the free carrier density and doping of graphene, in contrast to what has been proposed recently.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Band gap engineering for graphene by using Na{sup +} ions

Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}. The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Spectral tunability of realistic plasmonic nanoantennas

Single nanoantenna spectroscopy was carried out on realistic dipole nanoantennas with various arm lengths and gap sizes fabricated by electron-beam lithography. A significant difference in resonance wavelength between realistic and ideal nanoantennas was found by comparing their spectral response. Consequently, the spectral tunability (96 nm) of the structures was significantly lower than that of simulated ideal nanoantennas. These observations, attributed to the nanofabrication process, are related to imperfections in the geometry, added metal adhesion layer, and shape modifications, which are analyzed in this work. Our results provide important information for the design of dipole nanoantennas clarifying the role of the structural modifications on the resonance spectra, as supported by calculations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗