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Results for “Optical Absorption”

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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Influence of silver nanoparticles on the spectroscopic properties of Sm{sup 3+} doped boro-phosphate glasses

The Sm{sup 3+} doped novel boro-phosphate glasses containing silver nanoparticles (NPs) (SmBPxA) have been prepared following the melt quenching technique and their structural and spectroscopic behavior were studied through HR-TEM, optical absorption and photoluminescence spectral measurements. The TEM analysis validates the existence of Ag NPs with an average diameter of ~8 nm. The Surface plasmon resonance (SPR) band of silver NPs was found at around 600 nm from the absorption spectrum of the Sm{sup 3+} ions free glass sample. The optical band gap energy (E{sub opt}) corresponding to the direct and indirect allowed transitions and the Urbach energy (ΔE) values were determined from the absorption spectral measurements. The luminescence intensity is found to get enhance when the Ag NPs were embedded along with the Sm{sup 3+} ions in the prepared glasses due to the local electric field effect around the rare earth (RE) ion site produced by the SPR of Ag NPs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Bethe-Salpeter Equation calculations of nitrogen-vacancy defects in diamond

Doped diamonds are of significant fundamental, technological, and commercial interest. For example, boron doping leads to a blue coloration at low concentration and superconductivity at high concentration. Similarly nitrogen doping can cause a variety of colors in diamond. Nitrogen-vacancy defects are also promising as quantum-computing qubits. Theoretical Bethe-Salpeter Equation (BSE) simulations of boron-doped diamonds have been found to give optical absorption spectra in good agreement with their observed blue coloration. In contrast, nitrogen defects are more complex, due in part to a plethora of possible N-defect conformations. Here, in this study, we present a theoretical study of several neutral, isolated, N-defect conformations that combines ab initio DFT calculations for relaxed 64-atom unit cells together with first principles GW/BSE calculations of their optical spectra. Spectral results are compared with available experimental data, and the effects of absorption are simulated for realistic rendered diamonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Role of Crystallization in the Morphology of Polymer: Non-fullerene Acceptor Bulk Heterojunctions

Many high efficiency organic photovoltaics use fullerene-based acceptors despite their high production cost, weak optical absorption in the visible range, and limited synthetic variability of electronic and optical properties. To circumvent this deficiency, non-fullerene small-molecule acceptors have been developed that have good synthetic flexibility, allowing for precise tuning of optoelectronic properties, leading to enhanced absorption of the solar spectrum and increased open-circuit voltages ( V OC ). We examined the detailed morphology of bulk heterojunctions of poly(3-hexylthiophene) and the small-molecule acceptor HPI-BT to reveal structural changes that lead to improvements in the fill factor of solar cells upon thermal annealing. The kinetics of the phase transformation process of HPI-BT during thermal annealing were investigated through in situ grazing incidence wide-angle X-ray scattering studies, atomic force microscopy, and transmission electron microscopy. The HPI-BT acceptor crystallizes during film formation to form micron-sized domains embedded within the film center and a donor rich capping layer at the cathode interface reducing efficient charge extraction. Thermal annealing changes the surface composition and improves charge extraction. In conclusion, this study reveals the need for complementary methods to investigate the morphology of BHJs.

14 SOLAR ENERGY↗
DOE OSTI2019

Pressure-Driven Chemical Disorder in Glassy As 2 S 3 up to 14.7 GPa, Postdensification Effects, and Applications in Materials Design

A small difference in energy between homopolar and heteropolar bonds and the glass-forming ability of pure chalcogens leads to unexpected trends in densification mechanisms of glassy chalcogenides compared to vitreous oxides. Using high-precision compressibility measurements and in situ high-energy X-ray diffraction up to 14.7 GPa, we show herein a new densification route in a canonical glass As 2 S 3 . After the first reversible elastic step with a maximum pressure of 1.3 GPa, characterized by a strong reduction of voids and cavities, a significant bonding or chemical disorder is developed under higher pressure, reaching a saturation of 30% in the population of As-As bonds above 8-9 GPa. The pressure-driven chemical disorder is accompanied by a remarkable structural relaxation and a strongly diminished optical gap and determines structural, vibrational, and optical properties under and after cold compression. The decompressed recovered glass conserves a dark color and exhibits two relaxation processes: (a) fast (a few days) and (b) slow (months/years at room temperature). The enhanced refractive index of the recovered glass is promising for optical applications with improved functionalities. A nearly permanent red shift in optical absorption after decompression can be used in high-impact-force optical sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Study of trap levels in β-Ga 2 O 3 by thermoluminescence spectroscopy

Electronic defects with shallow and deep levels in β-Ga 2 O 3 single crystals were investigated by thermoluminescence (TL) spectroscopy. Undoped, Fe-doped, Sn-doped, and Mg-doped β-Ga 2 O 3 single crystals grown by different methods were studied, and thermal activation energies of defects were calculated using the initial rise method. Hall-effect measurements and optical absorption spectroscopy were performed to determine the electrical transport properties and optical bandgaps. It was found that the dopants do not have any effect on the bandgap energy, which is important for comparing the trap levels in the samples. Three deep trap levels were found in the undoped crystals; the activation energy, ED, and concentration of defect centers for all of them have slightly changed after doping with Fe and Mg. Fe doping induced an additional defect center with activation energy of 0.62 eV. The measurements revealed the absence of TL emission in Sn doped crystals indicating that Sn doping may quench luminescence centers or modified some original electronic defects to inactive electron traps. The second interpretation “decrease of traps” may align with the successful incorporation of Sn as a donor and the high conductivity of Sn doped crystals revealed from Hall-effect measurements. This work also illustrates that the semi-insulating characteristics of Fe and Mg doped Ga 2 O 3 are associated with the increase of the concentration of original traps in the crystal as well as the formation of new electron traps acting as deep acceptors. Recombination centers in all crystals are assumed to be associated with iron impurities.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

3D Bacterial flagella as both synthetic biotemplates and ultrathin spacers for enhanced inter-particle coupling and solar energy harvesting

Linear light-absorbing nanomaterials are ideal for film-based solar harvesting applications as they form porous structures that can maximize the absorption and minimize the reflection of the solar light. Conventional 1D nanochains of plasmonic nanoparticle assemblies can achieve significantly broadened optical absorption through surface plasmon coupling, but their optical bands are still not broad enough to absorb through the solar spectrum and thus are not efficient solar absorbers. Here we discovered first by simulation that 3D structured nanochains of plasmonic nanoparticles presented a remarkably increased optical broadening effect and much longer redshift of the optical peaks due to the enhanced inter-particle coupling effect. Then we fabricated 3D nanochains by assembling gold nanoparticles (AuNPs) around 14 nm ultrathin bionanofibers, the bacterial flagella. Additionally, the ultrathin biotemplates enabled the 3D arrangement of 50 nm AuNPs along the nanofiber with a very small inter-particle gap, allowing the strong coupling of surface plasmons in a 3D manner. Consistent with the theoretical prediction, the 3D nanochains, when assembled into films, could effectively convert nearly the full spectrum of solar energy into heat, which was further efficiently converted into electricity through a thermoelectric generation unit. Our work represents a nanobiomaterial approach to highly efficient solar thermal power generation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Residual stress induced crystalline to amorphous phase transformation in Nb{sub 2}O{sub 5} quantum dots

Nb{sub 2}O{sub 5} quantum dots (QDs) were grown using a simple technique of vacuum thermal evaporation. QDs were found to be crystalline in nature by selected area electron diffraction (SAED) in TEM. Samples with thickness up to 20 nm did not show any significant residual strain. Residual stress effect on band gap of crystalline Nb{sub 2}O{sub 5} was studied for films thicker than 20 nm. Residual strain was determined using SAED of the films with reference to powder X-ray diffraction (XRD). Films thicker than 45 nm become amorphous as analyzed by both SAED and XRD. The optical absorption of films in the range 25–60 nm indicates significantly varying optical band gap of films. The varying band gap with film thickness scales linearly very well with the variation of residual stress with film thickness. The residual stress dependence of band gap of crystalline films yields stress free band gap as 3.37 eV with pressure coefficient of band gap (∂E{sub g}/∂P){sub T} = −29.3 meV/GPa. From this study, the crystalline to amorphous transformation in tetragonal form of M-Nb{sub 2}O{sub 5} has been determined to be at about 14 GPa. Both pressure coefficient of band gap and crystalline to amorphous transition for tetragonal M-Nb{sub 2}O{sub 5} have been determined for the first time in the literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Au 130− x Ag x Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites

Abstract The synthesis and structure of atomically precise Au 130− x Ag x (average x= 98) alloy nanoclusters protected by 55 ligands of 4‐ tert ‐butylbenzenethiolate are reported. This large alloy structure has a decahedral M 54 (M=Au/Ag) core. The Au atoms are localized in the truncated Marks decahedron. In the core, a drum of Ag‐rich sites is found, which is enclosed by a Marks decahedral cage of Au‐rich sites. The surface is exclusively Ag−SR; X‐ray absorption fine structure analysis supports the absence of Au−S bonds. The optical absorption spectrum shows a strong peak at 523 nm, seemingly a plasmon peak, but fs spectroscopic analysis indicates its non‐plasmon nature. The non‐metallicity of the Au 130− x Ag x nanocluster has set up a benchmark to study the transition to metallic state in the size evolution of bimetallic nanoclusters. The localized Au/Ag binary architecture in such a large alloy nanocluster provides atomic‐level insights into the Au−Ag bonds in bimetallic nanoclusters.

Higaki, Tatsuya↗
DOE OSTI2019

Au 130− x Ag x Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites

Abstract The synthesis and structure of atomically precise Au 130− x Ag x (average x= 98) alloy nanoclusters protected by 55 ligands of 4‐ tert ‐butylbenzenethiolate are reported. This large alloy structure has a decahedral M 54 (M=Au/Ag) core. The Au atoms are localized in the truncated Marks decahedron. In the core, a drum of Ag‐rich sites is found, which is enclosed by a Marks decahedral cage of Au‐rich sites. The surface is exclusively Ag−SR; X‐ray absorption fine structure analysis supports the absence of Au−S bonds. The optical absorption spectrum shows a strong peak at 523 nm, seemingly a plasmon peak, but fs spectroscopic analysis indicates its non‐plasmon nature. The non‐metallicity of the Au 130− x Ag x nanocluster has set up a benchmark to study the transition to metallic state in the size evolution of bimetallic nanoclusters. The localized Au/Ag binary architecture in such a large alloy nanocluster provides atomic‐level insights into the Au−Ag bonds in bimetallic nanoclusters.

Higaki, Tatsuya↗
DOE OSTI2019

Gold nanoparticles in reverse micellar solutions: preparation, optical properties, and dimensional characteristics

Gold nanoparticles (NPs) were synthesized via chemical (Chem) and radiation-chemical (RadChem) methods for the reduction of ions in reverse micellar solutions (RMS). The gold NP have for the first time been obtained by self-organization (Self-assembly), and their optical properties were evaluated. The formation of Au NP (Chem, RadChem, and Self) was confirmed by the transmission electron microscopy. The spectral characteristics of optical absorption of gold NP in the RMS depend on the solubilization coefficient ω, the salt concentration, and the methods for initiating the primary steps of reduction reactions responsible for the formation of nanoscale structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Effects of zinc salts on the structural and optical properties of acidic chemical bath deposited ZnS thin films

Graphical abstract: XRD patterns of annealed ZnS films from different zinc salts. Curves a, b, c, d correspond to the annealed ZnS–C1, ZnS–S{sub 3}, ZnS–Cl{sub 2}, ZnS–N{sub 2} thin films. Display Omitted Highlights: ► ZnS thin films were deposited using different zinc salts. ► The grain sizes of deposited ZnS thin films are about 12.5 15.5 nm. ► The band gaps of deposited ZnS thin films were in the range of 3.66–3.83 eV. -- Abstract: ZnS thin films were deposited from different zinc salts by chemical bath deposition (CBD). Structural, morphological and optical characterizations were performed using different methods such as X-ray diffraction (XRD), scanning electron microscopy (SEM) and Raman spectra. The particle sizes of as-deposited ZnS thin films were calculated to be about 12.5–15.5 nm and the crystal qualities were improved after annealed at 500 °C in Ar/H{sub 2}S (5%) atmosphere. Optical absorption measurements indicated that the band gaps of ZnS thin films were in the range of 3.66–3.83 eV and they decreased with the increasing of particle sizes. ZnCl{sub 2} was found to the best precursor due to the higher crystal quality and compact surface of deposited ZnS thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of X-Ray Radiation on the Optical Properties of Photorefractive Bismuth-Silicate Crystals

The results of investigations of the optical-absorption spectra of bismuth-silicate (Bi{sub 12}SiO{sub 20}) single crystals are presented. The band-gap width and the characteristic Urbach energy are determined. The effect of preliminary X-ray irradiation on the behavior of the experimental spectral dependences and the values of the characteristic parameters induced by the bismuth-silicate defect structure is established.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dynamics of Photocatalytic Hydrogen Production in Aqueous Dispersions of Monolayer-Rich Tungsten Disulfide

Two-dimensional tungsten disulfide (WS 2 ) is an emerging semiconducting photocatalyst featuring high optical absorption, carrier mobility, and catalytic activity toward hydrogen evolution. While characterization of its optical and electrocatalytic properties has advanced, less is known about its ultrafast carrier dynamics and intrinsic photocatalytic activity in aqueous systems producing hydrogen. This work removed extraneous variables often found in photoelectrochemical systems, thereby allowing the intrinsic proton reduction rate for monolayer-rich WS2 nanosheets to be estimated via transient absorption lifetimes and a developed kinetic scheme. Addition of a hole scavenger, ascorbic acid (AA), resulted in a 3-fold increase in carrier lifetimes following photoexcitation. Longer electron lifetimes with AA yielded a 14-fold increase in hydrogen production. An intrinsic proton reduction rate constant was extracted that may be extended to any photoelectrochemical or electrochemical hydrogen evolution scheme involving small, monolayer-rich WS 2 catalysts. This represents an important step in better understanding catalytic systems utilizing TMD catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Theoretical investigation of stabilities and optical properties of Si{sub 12}C{sub 12} clusters

By sorting through hundreds of globally stable Si{sub 12}C{sub 12} isomers using a potential surface search and using simulated annealing, we have identified low-energy structures. Unlike isomers knit together by Si–C bonds, the lowest energy isomers have segregated carbon and silicon regions that maximize stronger C–C bonding. Positing that charge separation between the carbon and silicon regions would produce interesting optical absorption in these cluster molecules, we used time-dependent density functional theory to compare the calculated optical properties of four isomers representing structural classes having different types of silicon and carbon segregation regions. Absorptions involving charge transfer between segregated carbon and silicon regions produce lower excitation energies than do structures having alternating Si–C bonding for which frontier orbital charge transfer is exclusively from separated carbon atoms to silicon atoms. The most stable Si{sub 12}C{sub 12} isomer at temperatures below 1100 K is unique as regards its high symmetry and large optical oscillator strength in the visible blue. Its high-energy and low-energy visible transitions (1.15 eV and 2.56 eV) are nearly pure one-electron silicon-to-carbon transitions, while an intermediate energy transition (1.28 eV) is a nearly pure carbon-to-silicon one-electron charge transfer.

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

Optical nanostructures design, fabrication, and applications for solar/thermal energy conversion

Optical nanostructures can control the optical absorption and emission properties of surfaces and are therefore being investigated for solar thermophotovoltaics, thermophotovoltaics, solar thermal, infrared sensing, infrared sources, incandescent light sources, and thermal imaging applications, among many others. This review article describes various modeling methods available for design of optical nanostructures to control light absorption and emission properties of surfaces, as well as various methods available for the fabrication of large area nanostructured surfaces. Throughout the review, we provide examples of state of the art energy generation devices using such optical nanostructures. A discussion of outstanding obstacles for the achievement of high efficiency solar thermophotovoltaics systems is provided along with examples of systems showing exceptional promise.

Gupta, Mool C.↗
DOE OSTI2018

Novel preparation of an ancient ceramic pigment BaCuSi4O10 and its performance investigation

Highlights: • The BaCuSi{sub 4}O{sub 10} (Chinese blue) was prepared firstly by coprecipitation and hydrothermal process at 180 °C for 20 h, and then sintered at 800 °C, resulting in pigment with superior performance. • The as-prepared pigment possesses bright blue coloration, preferable flower-like mesoporous microspheres morphology and qualified purity. • This novel process could fabricate the BaCuSi{sub 4}O{sub 10} pigment with broadband optical absorption and better emission in the near-infrared region. • This novel process decreases the calcination temperature compared with the traditional solid state method and also lowers the hydrothermal temperature and time compared with only a sole hydrothermal process. - Abstract: The BaCuSi{sub 4}O{sub 10} (Chinese blue) was prepared by coprecipitation and hydrothermal process at 180 °C for 20 h prior to sintering at 800 °C with a final pigment of superior performance. The crystalline configuration and microstructure of the product were characterized by XRD, FTIR, SEM and TEM. The electronic structure and the valence situation were determined by XPS. The coloration was studied with colorimeter. The absorption and the luminescence properties were examined with an UV−VIS-NIR spectrometer and a spectrofluorimeter, respectively. The results show that the BaCuSi{sub 4}O{sub 10} pigment prepared by this combined fabrication process possesses flower-like mesoporous microspheres morphology, better crystallization, clear coloration and rather qualified purity. The as-prepared BaCuSi{sub 4}O{sub 10} pigment also shows well optical property with broadband absorption and better emission in the 800–1200 nm range. Compared with traditional solid state fabrication or only sole hydrothermal process, this novel process can also reduce hydrothermal temperature and time, and decrease calcination temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗
DOE OSTI2018

Absorption of Far-Infrared Radiation in Ge/Si Quantum Dots

The experimental and theoretical results of studies of optical absorption in doped Ge/Si quantumdot structures in the far-infrared region, corresponding to the energies of transitions of holes from the ground state to the lowest excited size-quantization state, are reported. An analytical theory of the size quantization of holes in a lens-shaped quantum dot is developed in the context of the adiabatic approximation with consideration for pair Coulomb interaction. It is shown that the interaction has no effect on the frequencies of lower interlevel resonances. This fact is representative of generalized Kohn’s theorem satisfied due to the specific geometric shape of the quantum dot. The experimental and theoretical values of the transition energies are in good agreement.

36 MATERIALS SCIENCE↗