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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Plasmons Enable Ultralow Threshold Solid-State Triplet Fusion Upconversion with a 2D Sensitizer

Solid-state triplet−triplet annihilation (TTA) upconversion has significant potential for application in light harvesting, optoelectronic devices, and bioimaging. However, the high optical powers required to achieve efficient upconversion have inhibited its adoption. In this work, we demonstrate plasmon-enhanced near-infrared (NIR)-to-blue TTA upconversion in a monolayer WSe2/organic heterojunction. Under far-field excitation, the device reaches a threshold of 19 mW/cm 2 and an external quantum efficiency (EQE) of 0.17% with an anti-Stokes shift of 1.1 eV. Plasmon excitation lowers the threshold to 0.9 mW/cm 2 and improves the EQE to 3.6%. We attribute the plasmon enhancement to surface plasmon polariton (SPP) near-field enhancement and dark-exciton absorption. Optimization of the WSe 2 transfer process is identified as a key factor for the device performance. This work demonstrates that plasmon excitation overcomes the low far-field absorption of 2D transition-metal dichalcogenide (TMD) sensitizers. Consequently, monolayer TMDs can achieve solid-state upconversion with a performance among the best reported.

2D materials↗
DOE OSTI2026

Low-Threshold Visible-to-Ultraviolet Solid-State Triplet-Fusion Upconversion

Visible-to-ultraviolet (UV) triplet-triplet annihilation (TTA) upconversion is an energy-relevant photon-management strategy that converts visible photons into UV photons capable of driving high-energy photochemical processes. Practical implementation requires solid-state thin films, which often require high excitation power. Here, we demonstrate the first solid-state visible-to-UV TTA upconversion thin-film device, using 1,4-bis((tricyclopentylsilyl)ethynyl)naphthalene (TCPS-NAP) as the annihilator and tris(2-phenylpyridine)iridium(III) (Ir(ppy) 3 ) as the sensitizer on silver. Under incoherent 455 nm excitation, the device exhibits blue-to-UV upconversion with a threshold of 4.8 mW/cm 2 . Using surface plasmons in the planar silver film, we achieve green-to-UV upconversion with a 1.11 eV anti-Stokes shift and 6.9 mW/cm 2 threshold, a 12.2 × threshold enhancement over far-field 532 nm excitation. In solution, TCPS-NAP shows excimer-dominated anti-Stokes emission rather than UV upconversion. These results establish a platform for harvesting low-intensity visible light to drive UV processes while demonstrating that solution-phase screening does not predict solid-state upconversion performance.

Luminescence↗
DOE OSTI2025

Plasmon-enhanced ultralow-threshold solid-state triplet fusion upconversion

Triplet fusion upconversion has potential applications in solar cells, photoredox catalysis, additive manufacturing and bioimaging. However, solid-state upconversion systems have struggled to measure up to their solution-phase counterparts, often requiring enormous optical power densities to operate at the maximum efficiency. Here we substantially improve the performance of upconversion films through excitation with surface plasmons that propagate along a planar silver-film interface, leading to an absorption enhancement that reduces the intensity threshold I th by a factor of 19 and enhances the external quantum efficiency by a factor of 17. From this, we achieve I th values as low as 3.4 mW cm −2 and an external quantum efficiency up to 0.094%. To demonstrate real-world viability, we couple the upconversion film to plasmons generated by the near-field of excitons in an organic light-emitting diode. As a result, this scheme is then used to fabricate a white-emitting organic light-emitting diode where blue emission sources from plasmon-excited upconversion, achieving a high colour rendering index of 86.2 and setting precedent for blue emission in the absence of high-energy polarons or triplets.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Communication: Manipulating the singlet-triplet equilibrium in organic biradical materials

We investigated the tunability of the singlet-triplet equilibrium population in the organic biradical 1,4-phenylenedinitrene via magneto-optical spectroscopy. A rich magnetochromic response occurs because applied field increases the concentration of the triplet state species, which has a unique optical signature by comparison with the singlet biradical and the precursor molecule. A Curie-like analysis of the magneto-optical properties allows us to extract the spin gap, which is smaller than previously supposed. These measurements establish the value of local-probe photophysical techniques for magnetic property determination in open-shell systems such as biradicals where a traditional electron paramagnetic resonance Curie law analysis has intrinsic limitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Native and induced triplet nitrogen-vacancy centers in nano- and micro-diamonds: Half-field electron paramagnetic resonance fingerprint

Multiple frequency electron paramagnetic resonance (EPR) study of small (4–25 nm) nanodiamonds obtained by various dynamic synthesis techniques reveals systematic presence in the half-field (HF) region a distinctive doublet fingerprint consisting of resolved g{sub HF1} = 4.26 and g{sub HF2} = 4.00 signals. This feature is attributed to “forbidden” ΔM{sub S} = 2 transitions in EPR spectra of two native paramagnetic centers of triplet (S = 1) origin designated as TR1 and TR2, characterized by zero field splitting values D{sub 1} = 0.0950 ± 0.002 cm{sup −1} and D{sub 2} = 0.030 ± 0.005 cm{sup −1}. Nanodiamonds of ∼50 nm particle size, obtained by crushing of Ib type nitrogen rich synthetic diamonds, show only HF TR2 signal whereas the same sample undergone high energy (20 MeV) electron irradiation and thermal annealing demonstrates rise of HF TR1 signal. The same HF TR1 signals appear in the process of fabrication of fluorescent nanodiamonds from micron-size synthetic diamond precursors. Results obtained allow unambiguous attribution of the half-field TR1 EPR signals with g{sub HF1} = 4.26, observed in nano- and micron-diamond powders, to triplet negatively charged nitrogen-vacancy centers. These signals are proposed as reliable and convenient fingerprints in both qualitative and quantitative study of fluorescent nano- and micron-diamonds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures

Kirkwood-Buff or Fluctuation Solution Theory can be used to provide experimental pair fluctuations, and/or integrals over the pair distribution functions, from experimental thermodynamic data on liquid mixtures. Here, this type of approach is used to provide triplet and quadruplet fluctuations, and the corresponding integrals over the triplet and quadruplet distribution functions, in a purely thermodynamic manner that avoids the use of structure factors. The approach is then applied to binary mixtures of water + methanol and benzene + methanol over the full composition range under ambient conditions. The observed correlations between the different species vary significantly with composition. The magnitude of the fluctuations and integrals appears to increase as the number of the most polar molecule involved in the fluctuation or integral also increases. A simple physical picture of the fluctuations is provided to help rationalize some of these variations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Time-resolved photoelectron spectroscopy of a dinuclear Pt(II) complex: Tunneling autodetachment from both singlet and triplet excited states of a molecular dianion

Time-resolved pump-probe photoelectron spectroscopy has been used to study the relaxation dynamics of gaseous [Pt{sub 2}(μ-P{sub 2}O{sub 5}H{sub 2}){sub 4} + 2H]{sup 2−} after population of its first singlet excited state by 388 nm femtosecond laser irradiation. In contrast to the fluorescence and phosphorescence observed in condensed phase, a significant fraction of the photoexcited isolated dianions decays by electron loss to form the corresponding monoanions. Our transient photoelectron data reveal an ultrafast decay of the initially excited singlet {sup 1}A{sub 2u} state and concomitant rise in population of the triplet {sup 3}A{sub 2u} state, via sub-picosecond intersystem crossing (ISC). We find that both of the electronically excited states are metastably bound behind a repulsive Coulomb barrier and can decay via delayed autodetachment to yield electrons with characteristic kinetic energies. While excited state tunneling detachment (ESETD) from the singlet {sup 1}A{sub 2u} state takes only a few picoseconds, ESETD from the triplet {sup 3}A{sub 2u} state is much slower and proceeds on a time scale of hundreds of nanoseconds. The ISC rate in the gas phase is significantly higher than in solution, which can be rationalized in terms of changes to the energy dissipation mechanism in the absence of solvent molecules. [Pt{sub 2}(μ-P{sub 2}O{sub 5}H{sub 2}){sub 4} + 2H]{sup 2−} is the first example of a photoexcited multianion for which ESETD has been observed following ISC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Pyridine-2,6-diyl dinitroxides as room-temperature triplet ligands

We have proposed tert-butyl 2-pyridyl nitroxide radicals as a promising paramagnetic chelating ligand, where the direct radical-metal bond leads to strong magnetic interaction. We successfully synthesized and isolated PyBN derivatives (pyridine-2,6-diyl bis(tert-butyl nitroxides)). The molecular and crystal structures of the target biradicals, MesPyBN, AntPyBN and tBuOPyBN were determined from the X-ray crystal structure analysis, which possess mesityl, 9-anthryl and tert-butoxy groups at the 5-position of the pyridine ring, respectively. The ground triplet state was characterized by means of SQUID susceptometry for each compound. On heating, the χ{sub m}T values of all the PyBN derivatives increased and reached a plateau at ca. 1.0 cm{sup 3} K mol{sup −1} at 300 K. It implies that biradicals behaved as triplet molecules even at room temperature, or 2J/k{sub B} >> 300 K. From the decay monitored in solution electron-spin resonance spectroscopy, MesPyBN was the most persistent, while tBuOPyBN was the most reactive, of the three.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Charge transfer states impact the triplet pair dynamics of singlet fission polymers

Polymers are desirable optoelectronic materials, stemming from their solution processability, tunable electronic properties, and large absorption coefficients. An exciting development is the recent discovery that singlet fission (SF), the conversion of a singlet exciton to a pair of triplet states, can occur along the backbone of an individual conjugated polymer chain. Here, compared to other intramolecular SF compounds, the nature of the triplet pair state in SF polymers remains poorly understood, hampering the development of new materials with optimized excited state dynamics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

On the circularly polarized luminescence of individual triplet sublevels

Here, we discuss the possibility of using circularly polarized luminescence (CPL) as a tool to probe individual triplet spin sublevels that are populated nonadiabatically following photoexcitation. This study is motivated by a mechanism proposed for chirality-induced spin selectivity in which coupled electronic-nuclear dynamics may lead to a non-statistical population of the three triplet sublevels in chiral systems. We find that low-temperature CPL should aid in quantifying the exact spin state/s populated through coupled electronic-nuclear motion in chiral molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

A NEW SYNTHETIC LIBRARY OF THE NEAR-INFRARED Ca II TRIPLET INDICES. I. INDEX DEFINITION, CALIBRATION, AND RELATIONS WITH STELLAR ATMOSPHERIC PARAMETERS

Adopting the SPECTRUM package, which is a stellar spectral synthesis program, we have synthesized a comprehensive set of 2890 near-infrared (NIR) synthetic spectra with a resolution and wavelength sampling similar to the Sloan Digital Sky Survey (SDSS) and the forthcoming Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) spectra. During the synthesis, we applied the 'New grids of ATLAS9 Model Atmosphere' to develop a grid of local thermodynamic equilibrium model atmospheres for effective temperatures (T{sub eff}) ranging from 3500 to 7500 K, for surface gravities (log g) from 0.5 to 5.0 dex, for metallicities ([Fe/H]) from -4.0 to 0.5 dex, and for solar ([{alpha}/Fe] = 0.0 dex) and non-solar ([{alpha}/Fe] = +0.4 dex) abundances. This synthetic stellar library is composed of 1350 solar scaled abundance (SSA) and 1530 non-solar scaled abundance (NSSA) spectra, grounding on which we have defined a new set of NIR Ca II triplet indices and an index CaT as the sum of the three. These defined indices were automatically measured on every spectrum of the synthetic stellar library and calibrated with the indices computed on the observational spectra from the INDO-U.S. stellar library. In order to check the effect of {alpha}-element enhancement on the so-defined Ca II indices, we compared indices measured on the SSA spectra with those on the NSSA ones at the same trine of stellar parameters (T{sub eff}, log g, [Fe/H]); luckily, little influences of {alpha}-element enhancement were found. Furthermore, comparisons of our synthetic indices with the observational ones from measurements on the INDO-U.S. stellar library, the SDSS-DR7 and SDSS-DR8 spectroscopic survey are presented, respectively, for dwarfs and giants in specific. For dwarfs, our synthetic indices could well reproduce the behaviors of the observational indices versus stellar parameters, which verifies the validity of our index definitions for dwarfs. For giants, the consistency between our synthetic indices and the observational ones does not appear to be as good. However, a new synthetic library of NIR Ca II indices has been founded for deeper studies on the NIR wave band of stellar spectra, and this library is particularly appropriate for the SDSS and the forthcoming LAMOST stellar spectra. We have regressed the strength of the CaT index as a function of stellar parameters for both dwarfs and giants after a series of experimental investigations into relations of the indices with stellar parameters. For dwarfs, log g has little effect on the indices, while [Fe/H] and T{sub eff} play a role together. The leading factor is probably [Fe/H], which changes the strength of the indices by a positive trend. For giants, log g starts to influence the strength of the indices by a negative trend for the metal-poor, and even impact deeply for the metal-rich; besides, [Fe/H] and T{sub eff} still matter. In addition, we briefly discussed the major differences between our Ca II triplet indices and the CaHK doublet indices. Ultimately, a supplemental experiment was carried out to show that spectral noises do have effects on our set of NIR Ca II indices. However, the influence is not weak enough to be ignored if the signal-to-noise ratio falls below 20.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

TEMPORAL EVOLUTION OF THE SCATTERING POLARIZATION OF THE Ca II IR TRIPLET IN HYDRODYNAMICAL MODELS OF THE SOLAR CHROMOSPHERE

Velocity gradients in a stellar atmospheric plasma have an effect on the anisotropy of the radiation field that illuminates each point within the medium, and this may in principle influence the scattering line polarization that results from the induced atomic level polarization. Here, we analyze the emergent linear polarization profiles of the Ca II infrared triplet after solving the radiative transfer problem of scattering polarization in time-dependent hydrodynamical models of the solar chromosphere, taking into account the effect of the plasma macroscopic velocity on the atomic level polarization. We discuss the influence that the velocity and temperature shocks in the considered chromospheric models have on the temporal evolution of the scattering polarization signals of the Ca II infrared lines as well as on the temporally averaged profiles. Our results indicate that the increase of the linear polarization amplitudes caused by macroscopic velocity gradients may be significant in realistic situations. We also study the effect of the integration time, the microturbulent velocity, and the photospheric dynamical conditions, and discuss the feasibility of observing with large-aperture telescopes the temporal variation of the scattering polarization profiles. Finally, we explore the possibility of using a Hanle effect line-ratio technique in the IR triplet of Ca II to facilitate magnetic field diagnostics in dynamic situations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE FORMATION OF IRIS DIAGNOSTICS. IV. THE Mg ii TRIPLET LINES AS A NEW DIAGNOSTIC FOR LOWER CHROMOSPHERIC HEATING

A triplet of subordinate lines of Mg ii exists in the region around the h and k lines. In solar spectra these lines are seen mostly in absorption, but in some cases can become emission lines. The aim of this work is to study the formation of this triplet, and investigate any diagnostic value they can bring. Using 3D radiative magnetohydrodynamic simulations of quiet Sun and flaring flux emergence, we synthesize spectra and investigate how spectral features respond to the underlying atmosphere. We find that emission in the lines is rare and is typically caused by a steep temperature increase in the lower chromosphere (above 1500 K, with electron densities above 10{sup 17} m{sup −3}). In both simulations the lines are sensitive to temperature increases taking place at column masses ≳5 · 10{sup −4} g cm{sup −2}. Additional information can also be inferred from the peak-to-wing ratio and shape of the line profiles. Using observations from NASA's Interface Region Imaging Spectrograph we find both absorption and emission line profiles with similar shapes to the synthetic spectra, which suggests that these lines represent a useful diagnostic that complements the Mg ii h and k lines.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Constraining Inert Triplet dark matter by the LHC and FermiLAT

We study collider phenomenology of inert triplet scalar dark matter at the LHC. We discuss possible decay of Higgs boson to dark matter candidate and apply current experimental data for invisible Higgs decay and R{sub γγ} to constrain parameter space of our model. We also investigate constraints on dark matter coming from forthcoming measurement, R{sub Zγ} and mono-Higgs production. We analytically calculate the annihilation cross section of dark matter candidate into 2γ and Zγ and then use FermiLAT data to put constraints on parameter space of Inert Triplet Model. We found that this limit can be stronger than the constraints provided by LUX experiment for low mass DM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CHROMOSPHERIC POLARIZATION IN THE PHOTOSPHERIC SOLAR OXYGEN INFRARED TRIPLET

We present multilevel radiative transfer modeling of the scattering polarization observed in the solar O i infrared triplet around 777 nm. We demonstrate that the scattering polarization pattern observed on the solar disk forms in the chromosphere, far above the photospheric region where the bulk of the emergent intensity profiles originate. We investigate the sensitivity of the polarization pattern to the thermal structure of the solar atmosphere and to the presence of weak magnetic fields (10{sup −2}–100 G) through the Hanle effect, showing that the scattering polarization signals of the oxygen infrared triplet encode information on the magnetism of the solar chromosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Possible coexistence of antiferromagnetic and ferromagnetic spin fluctuations in the spin-triplet superconductor UTe 2 revealed by 125 Te NMR under pressure

We report a spin-triplet superconducting state mediated by ferromagnetic (FM) spin fluctuations has been suggested to occur in the newly discovered heavy-fermion superconductor UTe 2 . However, the recent neutron scattering measurements revealed the presence of antiferromagnetic (AFM) spin fluctuations in UTe 2 . Here, we report the 125 Te nuclear magnetic resonance studies of a single-crystal UTe 2 , suggesting the coexistence of FM and AFM spin fluctuations in UTe 2 . Owing to the two different Te sites in the compound, we conclude that the FM spin fluctuations are dominant within ladders and the AFM spin fluctuations originate from the interladder magnetic coupling. Although AFM spin fluctuations exist in the system, the FM spin fluctuations in the ladders may play an important role in the appearance of the spin-triplet superconducting state of UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Minimal 3-3-1 model with only two Higgs triplets

The simplest non-Abelian gauge extension of the electroweak standard model, the SU(3){sub c} x SU(3){sub L} x U(1){sub N}, known as the 3-3-1 model, has a minimal version which demands the least possible fermionic content to account for the whole established phenomenology for the well-known particles and interactions. Nevertheless, in its original form the minimal 3-3-1 model was proposed with a set of three scalar triplets and one sextet in order to yield the spontaneous breaking of the gauge symmetry and generate the observed fermion masses. Such a huge scalar sector turns the task of clearly identifying the physical scalar spectrum into a clumsy labor. It not only adds an obstacle for the development of its phenomenology, but implies a scalar potential plagued with new free coupling constants. In this work, we show that the framework of the minimal 3-3-1 model can be built with only two scalar triplets, but still triggering the desired pattern of spontaneous symmetry breaking and generating the correct fermion masses. We present the exact physical spectrum and also show all the interactions involving the scalars, obtaining a neat minimal 3-3-1 model far more suited for phenomenological studies at the current Large Hadron Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Analysis of applicability of triplet-state emission of molecular hydrogen for spectral diagnostics of a DC discharge

The applicability of emission of the N{sup 3}Λ{sub σ} triplet states of molecular hydrogen for spectral diagnostics of the positive column of a dc glow discharge in hydrogen at translational gas temperatures of 360–600 K, specific absorbed powers of 0.8–4.25 W/cm, gas pressures of p = 0.3–15.0 Torr, reduced fields of E/N = 30–130 Td, and electron densities of n{sub e} = 4.0 × 10{sup 9}–6.5 × 10{sup 10} cm{sup –3} is analyzed by using an advanced level-based semi-empirical collisional−radiative model. It is found that secondary processes make the main contribution to the population and decay of the N{sup 3}Λ{sub σ} = a{sup 3}Σ{sup +}{sub g}, c{sup 3}Π{sub u}, g{sup 3}Σ{sup +}{sub g}, h{sup 3}Σ{sup +}{sub g}, and i{sup 3}Π{sub g} triplet states. The dipole-allowed transitions e{sup 3}Σ{sup +}{sub g} → a{sup 3}Σ{sup +}{sub g}, f{sup 3}Σ{sup +}{sub g} → a{sup 3}Σ{sup +}{sub g}, g{sup 3}Σ{sup +}{sub g} and k{sup 3}Π{sub u} → a{sup 3}Σ{sup +}{sub g} can be used for spectral diagnostics of a dc discharge within a simplified coronal model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗