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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A facile strategy to fabricate plasmonic Cu modified TiO{sub 2} nano-flower films for photocatalytic reduction of CO{sub 2} to methanol

Graphical abstract: Photoreduction of CO{sub 2} to CH{sub 3}OH over plasmonic Cu/TiO{sub 2} film. - Highlights: • Cu nanoparticles modified TiO{sub 2} nano-flower film was prepared by a facile strategy. • Cu nanoparticles can enhance the light absorption and the Raman scattering of TiO{sub 2}. • Cu nanoparticles can effectively restrain the recombination of the charge carriers. • A synergistic mechanism is proposed for photocatalytic reduction of CO{sub 2} on Cu/TiO{sub 2} film. - Abstract: Cu nanoparticles (NPs) deposited TiO{sub 2} nano-flower films were fabricated using a combination of a hydrothermal method and a microwave-assisted reduction process. The investigations indicated that Cu NPs and TiO{sub 2} film both exhibit visible light harvesting properties based on localized surface plasmon resonance (LSPR) of Cu NPs and unique nanostructures of TiO{sub 2} film. Fluorescence quenching was observed because the recombination of charge carriers was effectively suppressed by Cu NPs deposition. The experimental results indicate that Cu/TiO{sub 2} films exhibit better activity for the photocatalytic reduction of CO{sub 2} due to the charge transfer property and LSPR effect of Cu NPs. The CH{sub 3}OH production rate reached 1.8 μmol cm{sup −2} h{sup −1} (energy efficiency was 0.8%) over 0.5 Cu/TiO{sub 2} film under UV and visible light irradiation, which was 6.0 times higher than that observed over pure TiO{sub 2} film. In addition, a tentative photocatalytic mechanism is proposed to understand the experimental results over the Cu modified TiO{sub 2} nano-flower films.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

High temperature Raman investigation of few-layer MoTe{sub 2}

We present a Raman investigation of the temperature effect of single and few layer MoTe{sub 2} at an electronic device working temperature range from 300 K to 500 K. We observe linear frequency red-shifts with increasing temperature for the first order Raman active E{sup 1}{sub 2g}, A{sub 1g}, Raman inactive B{sup 1}{sub 2g} mode, and the second order ω{sub 2} mode, which can be attributed to the anharmonic effect of the interatomic potential energy. The temperature coefficients of the out-of-plane vibrational B{sup 1}{sub 2g} modes and inplane vibrational E{sup 1}{sub 2g} modes are similarly around −0.013 cm{sup −1}/K, while lower than that of out-of-plane vibration A{sub 1g} mode at −0.009 cm{sup −1}/K. The temperature coefficient of ω{sub 2} mode is −0.00521 cm{sup −1}/K, approximately half of those of the first order modes, and the temperature coefficient of transverse acoustic TA (M) mode is indirectly deduced as −0.0102 cm{sup −1}/K, which shows the corresponding Mo-Te stretching bonds of TA (M) mode behavior similarly to those of optical Raman vibrations. Our work thus provides temperature dependent lattice vibration information of MoTe{sub 2} and could be potentially useful in future optoelectronic devices based on MoTe{sub 2} related two dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Precision loss measurements in short lengths of optical fibre by reflectometry without using Rayleigh scattering

To improve accuracy of light attenuation measurements in optical fibres, especially in short ones, tens and hundreds of metres in length, we propose rejecting a conventional reflectometric approach based on Rayleigh scattering intensity measurements. To this end, we propose for the first time the use of boson peaks in Raman scattering, which, on the one hand, produce no interference effects and no related noise in reflectograms, and, on the other, lie within the C-band. Even at a fibre length as short as 50 m, the attenuation measurement error does not exceed 0.002 dB km{sup −1}. We demonstrate the possibility of compensating for the temperature variation of boson peak intensity by concurrently obtaining a reflectogram for the anti-Stokes line of the fundamental Raman band. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Experimental Realization of Strong Effective Magnetic Fields in an Optical Lattice

We use Raman-assisted tunneling in an optical superlattice to generate large tunable effective magnetic fields for ultracold atoms. When hopping in the lattice, the accumulated phase shift by an atom is equivalent to the Aharonov-Bohm phase of a charged particle exposed to a staggered magnetic field of large magnitude, on the order of 1 flux quantum per plaquette. We study the ground state of this system and observe that the frustration induced by the magnetic field can lead to a degenerate ground state for noninteracting particles. We provide a measurement of the local phase acquired from Raman-induced tunneling, demonstrating time-reversal symmetry breaking of the underlying Hamiltonian. Furthermore, the quantum cyclotron orbit of single atoms in the lattice exposed to the magnetic field is directly revealed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Raman spectroscopy of isotopically pure ({sup 12}C, {sup 13}C) and isotopically mixed ({sup 12.5}C) diamond single crystals at ultrahigh pressures

The Raman scattering by isotopically pure {sup 12}C and {sup 13}C diamond single crystals and by isotopically mixed {sup 12.5}C diamond single crystals is studied at a high accuracy. The studies are performed over a wide pressure range up to 73 GPa using helium as a hydrostatic pressure-transferring medium. It is found that the quantum effects, which determine the difference between the ratio of the Raman scattering frequencies in the {sup 12}C and {sup 13}C diamonds and the classical ratio (1.0408), increase to 30 GPa and then decrease. Thus, inversion in the sign of the quantum contribution to the physical properties of diamond during compression is detected. Our data suggest that the maximum possible difference between the bulk moduli of the {sup 12}C and {sup 13}C diamonds is 0.15%. The investigation of the isotopically mixed {sup 12.5}C diamond shows that the effective mass, which determines the Raman frequency, decreases during compression from 12.38 au at normal pressure to 12.33 au at 73 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

An InP/Si heterojunction photodiode fabricated by self-aligned corrugated epitaxial lateral overgrowth

An n-InP/p-Si heterojunction photodiode fabricated by corrugated epitaxial lateral overgrowth (CELOG) method is presented. N-InP/p-Si heterojunction has been achieved from a suitable pattern containing circular shaped openings in a triangular lattice on the InP seed layer on p-Si substrate and subsequent CELOG of completely coalesced n-InP. To avoid current path through the seed layer in the final photodiode, semi-insulating InP:Fe was grown with adequate thickness prior to n-InP growth in a low pressure hydride vapor phase epitaxy reactor. The n-InP/p-Si heterointerface was analyzed by scanning electron microscopy and Raman spectroscopy. Room temperature cross-sectional photoluminescence (PL) mapping illustrates the defect reduction effect in InP grown on Si by CELOG method. The InP PL intensity measured above the InP/Si heterojunction is comparable to that of InP grown on a native planar substrate indicating low interface defect density of CELOG InP despite of 8% lattice mismatch with Si. The processed n-InP/p-Si heterojunction photodiodes show diode characteristics from the current-voltage (I-V) measurements with a dark current density of 0.324 mA/cm{sup 2} at a reverse voltage of −1 V. Under the illumination of AM1.5 conditions, the InP/Si heterojunction photodiode exhibited photovoltaic effect with an open circuit voltage of 180 mV, a short circuit current density of 1.89 mA/cm{sup 2}, an external quantum efficiency of 4.3%, and an internal quantum efficiency of 6.4%. This demonstration of epitaxially grown InP/Si heterojunction photodiode will open the door for low cost and high efficiency solar cells and photonic integration of III-Vs on silicon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Photoluminescence and Raman spectroscopic analysis of PV deposited ZnS thin films

Highlights: • ZnS thin films grown by PVD technique have exhibited zinc blend structure. • Annealing resulted in blue shift in the band gap. • Shift in Raman peak on annealing is effect of crystallite size and strain. • PL spectra has characterized impurity states in mid-band gap region. - Abstract: Structural, optical and emission characteristics of the physical vapor deposited (PVD) ZnS films were investigated. Refined patterns of x-ray diffractogram (XRD) revealed that the grown films have zinc blende (ZB) structure with preferential orientation along (111) plane. Optical spectrograph was analyzed to derive various optical parameters, including optical band gap, which assess the device suitability of grown films. Raman spectra, fitted with Lorentzian peak, provided insight on frequency shift as an effect of elastic and thermal strains. Intensified peaks in photoluminescence spectra reflected observable recombination process due to larger band gap and assisted in study of defect-states in the grown films. In brief, the paper reports on influence of thickness and post deposition annealing on film characteristics analyzed through spectroscopic techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Spectroelectrochemical properties of the single walled carbon nanotubes functionalized with polydiphenylamine doped with heteropolyanions

A combined chemical-electrochemical method was used for covalent functionalization of single-walled carbon nanotube (SWNT) with polydiphenylamine (PDPA) doped with heteropolyanions of H{sub 3}PMo{sub 12}O{sub 40}{center_dot}xH{sub 2}O. The functionalization process induces in Raman spectra of SWNTs the following changes: (i) an increase in relative intensity of the D band, accompanied a gradual up-shift of the G band in the case of the semiconducting tubes and a decrease in the relative intensity of band peaked at 1540 cm{sup -1} is remarked in the case of the metallic tubes; (ii) in the anti-Stokes Raman spectrum an increase in the relative intensity of Raman line of metallic tubes peaked at -1560 cm{sup -1} is remarked when the cycles number increases. The additional down-shift of the FTIR bands belonging to H{sub 3}PMo{sub 12}O{sub 40} heteropolyanions (at 881, 943 and 1055 cm{sup -1}) and PDPA (at 688, 736 and 1016 cm{sup -1}) originates in hindrance steric effects induced the covalent functionalization of SWNTs with polymer molecules. Using Raman scattering and FTIR spectroscopy we demonstrate that chemical polymerization of diphenylamine in the presence of H{sub 3}PMo{sub 12}O{sub 40}{center_dot}xH{sub 2}O and SWNTs results in a composite of the type blend based on PDPA in un-doped state and SWNTs doped with H{sub 3}PMo{sub 12}O{sub 40} heteropolyanions. - Graphical abstract: Stokes and anti-Stokes Raman spectra of the SWNTs before (a) and after electrochemical functionalization with PDPA doped with heteropolyanions by 5 (b) and 25 (c) voltammeter cycles. Highlights: Black-Right-Pointing-Pointer A chemical-electrochemical method is used to functionalization of SWNTs. Black-Right-Pointing-Pointer Functionalization of wall-side of tube is evidenced by anti-Stokes Raman studies. Black-Right-Pointing-Pointer FTIR spectra proves insertion of heteropolyanions in polydiphenylamine matrix. Black-Right-Pointing-Pointer FTIR spectra of polymer functionalized SWNTs reveal hindrance steric effects.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Raman shifts in electron-irradiated monolayer MoS 2

Here, we report how the presence of electron-beam-induced sulfur vacancies affects first-order Raman modes and correlate the effects with the evolution of the in situ transmission-electron microscopy (TEM) two-terminal conductivity of monolayer MoS 2 under electron irradiation. We observe a redshift in the E Raman peak and a less pronounced blueshift in the A' 1 peak with increasing electron dose. Using energy-dispersive X-ray spectroscopy (EDS), we show that irradiation causes partial removal of sulfur and correlate the dependence of the Raman peak shifts with S vacancy density (a few %), which is confirmed by first-principles density functional theory calculations. In situ device current measurements show exponential decrease in channel current upon irradiation. Our analysis demonstrates that the observed frequency shifts are intrinsic properties of the defective systems and that Raman spectroscopy can be used as a quantitative diagnostic tool to characterize MoS 2 -based transport channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The effects of thickness, polarization, and strain on vibrational modes of 2D Fe 3 GeTe 2

In this study, we investigated the effects of thickness, light polarization, and strain on the Raman spectra of two-dimensional (2D) Fe 3 GeTe 2 (FGT) crystals synthesized via chemical vapor transport. The crystals are thoroughly characterized using a combination of microscopic, diffraction, and spectroscopic techniques. Particularly, a systematic angle-resolved polarized Raman spectroscopy study reveals a clear polarization dependence of the Raman intensity in both parallel and crossed polarization directions, with the $A$$^{1}_{g}$ mode completely disappearing in the crossed polarization direction. The angle-dependent intensity of both the $A$$^{1}_{g}$ and $E$$^{2}_{2g}$ modes in parallel polarization and the intensity of the $E$$^{2}_{2g}$ mode in the crossed polarization remain constant at all angles. These findings align with predictions from Raman tensor analysis, providing compelling evidence for the unambiguous assignment of the $A$$^{1}_{g}$ and $E$$^{2}_{2g}$ modes to specific peaks observed in the Raman spectrum of FGT, resolving existing confusion in the literature regarding their assignment. Furthermore, we examine the effect of strain on the Raman spectrum of 2D FGT in-situ using a bending device. Our study, conducted on a monolayer to few-layer 2D FGT deposited onto polyethylene terephthalate and subjected to outward (inward), i.e., tensile (compressive) bending, demonstrates appreciable downshifting (upshifting) of the Raman peak position of both $A$$^{1}_{g}$ and $E$$^{2}_{2g}$ modes. Furthermore, these findings are particularly significant given that strain engineering represents an effective approach to modulate the magnetic properties of FGT and other 2D magnetic materials.

2D materials↗
DOE OSTI2025

Ferroaxial phonons in chiral and polar Ni⁢Co 2 ⁢Te⁢O 6

Perfect circular dichroism has been observed in Raman scattering by optical phonons in single chiral domain NiCo 2 TeO 6 crystals. The selection rules for optical phonons are determined by the combination of the chiral structure C and electric polarization P along the c axis. These two symmetry operations are equivalent to the ferroaxial order (C·P) = A, so the observed optical phonons are referred to as ferroaxial. For a given Raman scattering geometry, the observed effect may also be described as a perfect nonreciprocal propagation of the ferroaxial optical phonons, whose preferable q-vector direction is determined by the sign of A. Here, the combination of Raman scattering and polarization plane rotation of the transmitted white light allows for identification of the direction of electric polarization P in monodomain chiral crystals. In addition to the ferroaxial selection rules for optical phonons, a weaker ferroaxial dichroism was observed for the magnon peak at 18 cm −1 .

Altermagnets↗
DOE OSTI2018

Influence of BBR-Induced Level Mixing Effect on Cosmological Recombination of Hydrogen and Singly Ionized Helium Atoms

An effect of atomic line broadening induced by the blackbody radiation (BBR) is investigated. Two physically different processes that affect the line broadening are compared within the framework of quantum electrodynamics (QED): the stimulated Raman scattering and BBR-induced level mixing. It is shown that the mixing effect gives the most significant contribution to the line broadening. According to our analysis, it is possible to distinguish both effects in the laboratory experiments. The impact of BBR-induced level mixing on the recombination history of primordial hydrogen and singly ionized helium atoms is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Evaluating Limits of Machine Learning-Assisted Raman Spectroscopy in Classification of Biological Samples

Machine learning (ML)-assisted Raman spectroscopy has become a powerful analytical tool for the classification and identification of analytes; however, technical challenges impacting its detection accuracy have not been thoroughly investigated. This study explores experimental factors affecting classification performance. Among the evaluated ML models, ML algorithms show minimal impact on classification accuracy. Instead, experimental factors, including spectral similarity between tested samples and data quality, dominate detection performance. Increases in spectral noise and spectral similarity significantly reduce classification accuracy. In well-controlled samples with low experimental noise, ML-assisted Raman spectroscopy can discriminate lipid mixtures with a composition difference of 1.85 mol %. To assess the effect of biological heterogeneity, we analyzed single-cell Raman spectra from Saccharomyces cerevisiae strains carrying single, double, or triple gene mutations. Intrinsic cell-to-cell variability introduced substantial spectral differences, severely reducing the accuracy of multiclass classification of these genetically similar strains at the single-cell level. Averaging Raman spectra across multiple cells improved classification accuracy by reducing this spectral variability. We also assess the effectiveness of transfer learning across different Raman spectrometers, specifically by applying an ML model trained on one instrument to another Raman spectrometer. Transfer learning can be improved with proper instrument calibration, highlighting the importance of instrument standardization. Overall, our results demonstrate that data quality and spectral similarity are the primary bottlenecks in ML-assisted Raman spectroscopy. Careful attention to sample preparation, data acquisition, measurement conditions, and instrument calibration is critical to achieving robust and reliable classification performance.

Fungi↗
DOE OSTI2014

Surfactant free hydrothermal synthesis of SnO{sub 2} nanorods with their microstructure and Raman studies

SnO{sub 2} nanorods were prepared by hydrothermal method without any surfactant. Their microstructure was studied with X-ray diffraction, Raman scattering and transmission electron microscopy. The range of nanorods diameter size is ∼3 to 19 nm. The crystal structure was confirmed to be SnO{sub 2} rutile tetragonal structure. The nanorods were single crystalline in nature as confirmed by HRTEM. Electron energy loss studies were carried out. EELS analysis showed presence SnO{sub 2} phase and SnO phase was not observed. New Raman modes (352 and 579 cm{sup −1}) corresponding to small size effects were observed for the SnO{sub 2} nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Raman enhancement induced by exciton hybridization in molecules and 2D materials

Abstract Surface-enhanced Raman spectroscopy (SERS) is a powerful technique for trace-level fingerprinting. Recently, layered two-dimensional (2D) materials have gained significant interest as SERS substrates for providing stable, uniform, and reproducible Raman enhancement with the potential for trace-level detection. Yet, the development of effective 2D SERS substrates is still hindered by the lack of fundamental understanding of the coupling mechanism between target molecules and substrates. Here, we report a systematic excitation-dependent Raman spectroscopy investigation on the coupling between 2D materials such as SnS 2 , MoS 2 , WSe 2 , and graphene and small organic molecules like rhodamine 6G (Rh 6G). Strong coupling between SnS 2 and Rh 6G is found due to their degenerate excitons through Raman excitation profiles (REP), leading to the enhancement of Rh 6G vibrational modes that are observable down to 10 −13 M. Our study shows that exciton coupling in the substrate-adsorbate complex plays a vital role in the Raman enhancement effect, opening a new route for designing SERS substrates for high sensitivity.

Materials Science↗
DOE OSTI2014

Line interference effects using a refined Robert-Bonamy formalism: The test case of the isotropic Raman spectra of autoperturbed N{sub 2}

A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N{sub 2} for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While in the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N{sub 2}, opening the way to the analysis of more complex molecular systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Surface-enhanced Raman scattering from finite arrays of gold nano-patches

We experimentally investigate the surface-enhanced Raman scattering (SERS) response of a 2D-periodic array of square gold nano-patches, functionalized by means of a conjugated, rigid thiol. We measure a Raman signal enhancement up to 200 times more intense compared to other plasmon-based nanostructures functionalized with the same molecule, and show that the enhancement is not strictly correlated to the presence of plasmonic resonances. The agreement between experimental and theoretical results reveals the importance of a full-wave analysis based on the inclusion of the actual scattering cross section of the molecule. The proposed numerical approach may serve not only as a tool to predict the enhancement of Raman signal scattered from strongly resonant nanostructure but also as an effective instrument to engineer SERS platforms that target specific molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Effects of disorder and isotopic substitution in the specific heat and Raman scattering in LuB{sub 12}

Precision measurements of the specific heat and spectral intensity I({omega}) of Raman scattering for Lu{sup N}B{sub 12} single crystal samples with various boron isotopes (N = 10, 11, nat) have been performed at low and intermediate temperatures. A boson peak in the low-frequency part of the I({omega}) spectrum has been observed for the first time for lutetium dodecaboride at liquid nitrogen temperatures. It has been shown that low-temperature anomalies in the specific heat, along with the features of Raman spectra, can be interpreted in terms of the transition to a cageglass state at T* = 50-70 K, which appears when Lu{sup 3+} ions are displaced from the centrosymmetric position in cavities of a rigid covalent boron sublattice towards the randomly located boron vacancies. The concentrations of various two-level systems that correspond to two types of vibrational clusters with correlation lengths of 12-15 and 18-22 A, respectively, have been estimated. The vibrational density of states of LuB{sub 12} has been calculated from Raman spectra in the model of soft atomic potentials. An approach has been proposed to explain the dielectrization of the properties of the YbB{sub 12} compound at T < T*, as well as the features of the formation of magnetic structures in RB{sub 12} antiferromagnets (R = Tb, Dy, Ho, Er, Tm) and the suppression of superconductivity in LuB{sub 12}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗