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At least 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Super Flexible Transparent Conducting Oxide-Free Organic–Inorganic Hybrid Perovskite Solar Cells with 19.01% Efficiency (Active Area=1 cm 2 )

Highly efficient organic-inorganic hybrid perovskite solar cells (OIHP-SCs) are often fabricated on a transparent conducting oxide (TCO) substrate such as indium tin oxide (ITO). However, the presence of TCOs is disadvantageous to the development of flexible OIHP-SCs due to the brittle nature of ITO which is easily breakable during bending. Herein, a flexible TCO-free OIHP-SC is demonstrated by using lithium bis(trifluoromethane)sulfonimide (Li-TFSI) as a codopant for the single-layer graphene transparent conducting electrode and poly(triarylamine) hole-transporting material (HTM) on a flexible polydimethylsiloxane substrate. The optical and electrical properties of the Li-TFSI-doped graphene substrate are measured by controlling the doping amount and the best conditions for charge extraction are established at a doping concentration of 20 mm Li-TFSI, thus optimizing the device photovoltaic performance. As a result, a highest power conversion efficiency of 19.01% is demonstrated by the flexible TCO-free OIHP-SC devices with an active area of 1 cm 2 . In addition, the flexible TCO-free OIHP-SCs exhibit good bending stability after 5000 bending cycles at radii of 6, 4, and 2 mm and excellent light soaking stability under 1 Sun light intensity over 1000 h as opposed to the poor stability when using poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as the HTM.

14 SOLAR ENERGY↗
DOE OSTI2025

Electrostatically Enhanced Buried Interface Binding of Self‐Assembled Monolayers for Efficient And Stable Inverted Perovskite Solar Cells

Inverted p‐i‐n structure perovskite solar cells (PSCs) have outperformed traditional n‐i‐p PSCs in recent years. A key advancement is the use of self‐assembled monolayers (SAMs) as hole transport layers. One class of widely used SAMs is carbazole‐based phosphonic acids. However, it is found that these SAMs lack strong binding with transparent conducting oxides (TCO) and perovskite. The weak binding strength results in suboptimal interfacial adhesion of the buried interface, which limits the device's stability. Here, interfacial binding is enhanced by increasing the dipole moment that creates a strong interfacial electric field that enhances electrostatic interactions at the TCO/perovskite interface, while incorporating tailored functional groups in SAMs to improve chemical anchoring to TCO and binding to perovskite. Specifically, the donor‐acceptor SAM molecule 4‐(7‐(4‐(bis(4‐methoxyphenyl)amino)‐2,5‐difluorophenyl)benzo[c][1,2,5]thiadiazol‐4‐yl)benzoic acid (PAFTB) is employed, which features an enhanced dipole moment along with electron‐donating and electron‐withdrawing functional groups to optimize interfacial interactions. Compared to extensively used [2‐(9H‐carbazol‐9‐yl)ethyl]phosphonic acid (2PACz), PAFTB enhances total interfacial adhesion by 2.8 times, thereby improving the thermal stability of the layer. Using this approach, PSCs are demonstrated with a certified quasi‐steady‐state power conversion efficiency of 24.9% and maintain 80% of the initial efficiency after 900 h of maximum power point tracking at 85 °C.

Interfacial adhesion↗
DOE OSTI2022

Inorganic cesium lead mixed halide based perovskite solar materials modified with functional silver iodide

Inorganic CsPbIBr 2 perovskites have recently attracted enormous attention as a viable alternative material for optoelectronic applications due to their higher efficiency, thermal stability, suitable bandgap, and proper optical absorption. However, the CsPbIBr 2 perovskite films fabricated using a one-step deposition technique is usually comprised of small grain size with a large number of grain boundaries and compositional defects. In this work, silver iodide (AgI) will be incorporated as an additive into the CsPbIBr 2 perovskite precursor solution to prepare the unique perovskite CsI(PbBr 2 ) 1-x (AgI) x . The AgI additive in the precursor solution works as a nucleation promoter which will help the perovskite to grow and merge into a continuous film with reduced defects. With detailed characterizations, we found that incorporating AgI additive resulted in a uniform perovskite film with fewer grain boundaries, increased grain size, crystallinity, optical absorption while decreasing carrier recombination and trap density. Using the AgI in an optimum amount, we fabricated CsPbIBr 2 perovskite solar cells (PSCs) with a simple structure and achieved a power conversion efficiency (PCE) of 7.2% with a reduced hysteresis index. This work offers an alternative approach towards preparing high-quality CsPbIBr 2 perovskite films for solar cells with higher stability and other optoelectronic applications.

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

Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn{sup 2+} is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the “loss-in-potential,” inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Observations of soft X-ray emission and plasma dynamics of a compact capillary discharge operated in xenon

We report observations of a low stored energy, low inductance compact capillary discharge operated in xenon. Even though the stored electrical energy is less than 1 J, significant output in the optical windows at 110 and 135 Å is measured. The soft X-ray emission is time-resolved and the conversion energy of the source is obtained. A lower bound to the conversion efficiency at 110 Å ± 2% and 135 Å ± 1% of 3.6% and 1.6% is obtained, respectively. The use of moiré-schlieren optical diagnostic allows the evolution of the line electron density. In particular, we observe a significant degree of compression in a tight on axis pinch as well as radial compression waves. The temporal evolution of the X-ray emission, which occurs during the current reversal and later, is discussed in relation to work in argon discharges and in relation to model calculations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Optimizing Energy Savings from Direct-DC in U.S. Residential Buildings

An increasing number of energy efficient appliances operate on direct current (DC) internally, offering the potential to use DC from renewable energy systems directly and avoiding the losses inherent in converting power to alternating current (AC) and back. This paper investigates that potential for net-metered residences with on-site photovoltaics (PV) by modeling the net power draw of the ‘direct-DC house’ with respect to today’s typical configuration, assuming identical DC-internal loads. Power draws were modeled for houses in 14 U.S. cities, using hourly, simulated PV-system output and residential loads. The latter were adjusted to reflect a 33% load reduction, representative of the most efficient DC-internal technology, based on an analysis of 32 electricity end-uses. The model tested the effect of climate, electric vehicle (EV) loads, electricity storage, and load shifting on electricity savings; a sensitivity analysis was conducted to determine how future changes in the efficiencies of power system components might affect savings potential. Based on this work, we estimate that net-metered PV residences could save 5% of their total electricity load for houses without storage and 14% for houses with storage. Based on residential PV penetration projections for year 2035 obtained from the National Energy Modeling System (2.7% for the reference case and 11.2% for the extended policy case), direct-DC could save the nation 10 trillion Btu (without storage) or 40 trillion Btu (with storage). Shifting the cooling load by two hours earlier in the day (pre-cooling) has negligible benefits for energy savings. Direct-DC provides no energy savings benefits for EV charging, to the extent that charging occurs at night. However, if charging occurred during the day, for example with employees charging while at work, the benefits would be large. Direct-DC energy savings are sensitive to power system and appliance conversion efficiencies but are not significantly influenced by climate. While direct-DC for residential applications will most likely arise as a spin-off of developments in the commercial sector—because of lower barriers to market entry and larger energy benefits resulting from the higher coincidence between load and insolation—this paper demonstrates that there are substantial benefits in the residential sector as well. Among residential applications, space cooling derives the largest energy savings from being delivered by a direct-DC system. It is the largest load for the average residence on a national basis and is particularly so in high-load regions. It is also the load with highest solar coincidence.

14 SOLAR ENERGY↗
DOE OSTI2017

Flow Distribution Measurement Feasibility in Supercritical CO 2

Supercritical CO 2 (sCO 2 ) is a fluid of interest for advanced power cycles that can reach thermal to electric energy conversion efficiencies of 50% or higher. Of particular interest for fossil-fired natural gas is the Allam cycle that captures nearly all CO 2 emissions and exports it as a fluid stream where it may be of value. The combustion process conditions are unlike any before realized with 90-95% CO 2 concentration, temperatures around 1000°C, and pressures near 300 bar. This work outlines the experimental feasibility of flow measurements to acquire the first known data in pure sCO 2 at similar but reduced temperature and pressure conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Application of copper thiocyanate for high open‐circuit voltages of CdTe solar cells

Abstract Copper thiocyanate (CuSCN) has proven to be a low‐cost, efficient hole‐transporting material for the emerging organic–inorganic perovskite solar cells. Herein, we report that CuSCN can also be applied to CdTe thin‐film solar cells to achieve high open‐circuit voltages ( V OC s). By optimizing the thickness of the thermally evaporated CuSCN films, CdTe cells fabricated by close space sublimation in the superstrate configuration have achieved V OC s as high as 872 mV, which is about 20–25 mV higher than the highest V OC for the reference cells using the standard Cu/Au back contacts. CuSCN is a wide bandgap p ‐type conductor with a conduction band higher than that of CdTe, leading to a conduction band offset that reflects electrons in CdTe, partially explaining the improved V OC s. However, due to the low conductivity of CuSCN, CdTe cells using CuSCN/Au back contacts exhibited slightly lower fill factors than the cells using Cu/Au back contacts. With optimized CdS:O window layers, the power conversion efficiency of the best CdTe cell, using CuSCN/Au back contact, is 14.7%: slightly lower than that of the best cell (15.2%) using Cu/Au back contact. Copyright © 2015 John Wiley & Sons, Ltd.

Paudel, Naba R.↗
DOE OSTI2013

Synthesis and characteristics of spray deposited CuInS{sub 2} nanocrystals thin films for photovoltaic applications

Graphical abstract: - Highlights: • CuInS{sub 2} nanocrystals thin films were synthesized by spray pyrolysis technique. • They are polycrystalline and have chalcopyrite (tetragonal) structure. • They have high absorption coefficient ∼10{sup 4} cm{sup −1} and optimum band gap of 1.55 eV. • They showed excellent opto-electronic properties employable in photovoltaics. - Abstract: Nanocrystalline thin films of CuInS{sub 2}, an attractive absorber material for highly efficient and terrestrial photovoltaic devices, were deposited on ultraclean glass substrates using spray pyrolysis technique. The prepared films were characterized by FESEM, FETEM, HRTEM, AFM, XRD, optical absorption spectroscopy, photoluminescence and current–voltage characteristics. The films exhibit almost smooth, dense and uniform topography; and have nano-sized particles 40–60 nm of CuInS{sub 2}. XRD data show that the films are polycrystalline and have chalcopyrite (tetragonal) structure with crystallite size 45–60 nm. Optical absorption studies show that the band gap of spray deposited CuInS{sub 2} films is 1.55 eV, while absorption coefficient is of ∼10{sup 5} cm{sup −1}. PL spectra have only one peak at 1.43 eV which may be attributed to the excitonic recombination through donor–acceptor impurity levels in the sample. Furthermore, CdS/CuInS{sub 2} heterojunction was also produced onto ITO coated glass substrate to evaluate solar cell parameters such as short circuit current density, open circuit voltage, fill factor and conversion efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Metal–Organic Framework-Derived CoWP@C Composite Nanowire Electrocatalyst for Efficient Water Splitting

Practical application of electrochemical water splitting demands durable, efficient, and non-noble metal catalysts for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Herein, we report a new hydrogen evolution nanowire electrocatalyst, consisting of S-doped CoWP nanoparticles embedded in S- and N-doped carbon matrix (S-CoWP@(S,N)-C), which is in situ transformed from Hofmann-type (Co, W)-based metal–organic framework (MOF) nanowires. Because of S and N doping to the carbon matrix and the S doping to CoWP nanoparticles, the obtained S-CoWP@(S,N)-C catalyst reaches a current density of -10 mA cm –2 at -35 and -67 mV (vs RHE) in acidic and alkaline electrolytes, respectively. Powered by a lead halide perovskite solar cell, an unassisted two-electrode solar water-splitting device using MOF-derived S-CoWP@(S,N)-C HER electrocatalysts and S-CoW@(S,N)-C OER electrocatalysts displays a solar-to-hydrogen conversion efficiency of 10.98%. Our method is highly applicable for developing robust electrocatalysts toward efficient and low-cost solar-driven water splitting.

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

Revealing the Effects of Electrode Crystallographic Orientation on Battery Electrochemistry via the Anisotropic Lithiation and Sodiation of ReS 2

Practical application of electrochemical water splitting demands durable, efficient, and non-noble metal catalysts for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Herein, we report a new hydrogen evolution nanowire electrocatalyst, consisting of S-doped CoWP nanoparticles embedded in S- and N-doped carbon matrix (S-CoWP@(S,N)-C), which is in situ transformed from Hofmann-type (Co, W)-based metal–organic framework (MOF) nanowires. Because of S and N doping to the carbon matrix and the S doping to CoWP nanoparticles, the obtained S-CoWP@(S,N)-C catalyst reaches a current density of -10 mA cm –2 at -35 and -67 mV (vs RHE) in acidic and alkaline electrolytes, respectively. Powered by a lead halide perovskite solar cell, an unassisted two-electrode solar water-splitting device using MOF-derived S-CoWP@(S,N)-C HER electrocatalysts and S-CoW@(S,N)-C OER electrocatalysts displays a solar-to-hydrogen conversion efficiency of 10.98%. Our method is highly applicable for developing robust electrocatalysts toward efficient and low-cost solar-driven water splitting.

25 ENERGY STORAGE↗
DOE OSTI2012

Glycoside Hydrolases from a targeted Compost Metagenome, activity-screening and functional characterization

Background: Metagenomics approaches provide access to environmental genetic diversity for biotechnology applications, enabling the discovery of new enzymes and pathways for numerous catalytic processes. Discovery of new glycoside hydrolases with improved biocatalytic properties for the efficient conversion of lignocellulosic material to biofuels is a critical challenge in the development of economically viable routes from biomass to fuels and chemicals. Results: Twenty-two putative ORFs (open reading frames) were identified from a switchgrass-adapted compost community based on sequence homology to related gene families. These ORFs were expressed in E. coli and assayed for predicted activities. Seven of the ORFs were demonstrated to encode active enzymes, encompassing five classes of hemicellulases. Four enzymes were over expressed in vivo , purified to homogeneity and subjected to detailed biochemical characterization. Their pH optima ranged between 5.5 - 7.5 and they exhibit moderate thermostability up to ~60-70°C. Conclusions: Seven active enzymes were identified from this set of ORFs comprising five different hemicellulose activities. These enzymes have been shown to have useful properties, such as moderate thermal stability and broad pH optima, and may serve as the starting points for future protein engineering towards the goal of developing efficient enzyme cocktails for biomass degradation under diverse process conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Efficient generation and extreme compression of multidimensional solitary states in molecular gas-filled hollow-core fibers driven by picosecond Yb lasers

We present an in-depth study on the impact of spatiotemporal Raman enhancement in molecular gas-filled hollow-core fibers (HCFs), demonstrating the efficient generation and post-compression of multidimensional solitary states (MDSS). Through different experimental scenarios—employing large-core HCFs filled with molecular gases (N 2 and N 2 O) and driven by high energy, sub-picosecond and picosecond Fourier transform-limited ytterbium laser pulses—this work leverages multimode propagation and enhanced spatiotemporal interactions to achieve significant spectral broadening and asymmetric redshift, contrasting sharply with self-phase modulation. Our findings reveal that, beyond the regime of maximum nonadiabatic molecular alignment, spatiotemporal nonlinear enhancement primarily governs spectral broadening for input pulse durations up to 1 ps. The process shows limited sensitivity to input pulse duration and the two investigated molecular gases (N 2 and N 2 O), with only subtle differences in broadening arising from their distinct Raman spectroscopic properties. Furthermore, post-compression of MDSS was achieved in various cases. Notably, using 7 mJ, 1 ps laser pulses, we generated 22 fs pulses with a 47% energy conversion efficiency of the input pulse energy. These results position MDSS as a powerful platform for generating high-energy, ultrashort pulses with tunable wavelengths, offering a robust solution for applications such as high harmonic generation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Synthesis and photovoltaic properties of 2,6-bis(2-thienyl) benzobisazole and 4,8-bis(thienyl)-benzo[1,2- B :4,5- B' ]dithiophene copolymers

In an effort to design efficient low-cost polymers for use in organic photovoltaic cells the easily prepared donor–acceptor–donor triad of a either cis-benzobisoxazole, trans-benzobisoxazole or trans-benzobisthiazole flanked by two thiophene rings was combined with the electron-rich 4,8-bis(5-(2-ethylhexyl)-thien-2-yl)-benzo[1,2-b:4,5-b']dithiophene. The electrochemical, optical, morphological, charge transport, and photovoltaic properties of the resulting terpolymers were investigated. Although the polymers differed in the arrangement and/or nature of the chalcogens, they all had similar highest occupied molecular orbital energy levels (-5.2 to -5.3 eV) and optical band gaps (2.1–2.2 eV). However, the lowest unoccupied molecular orbital energy levels ranged from -3.1 to -3.5 eV. When the polymers were used as electron donors in bulk heterojunction photovoltaic devices with PC71BM ([6,6]-phenyl C71-butyric acid methyl ester) as the acceptor, the trans-benzobisoxazole polymer had the best performance with a power conversion efficiency of 2.8%.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multifunctional Nanofiber Reinforcement for Improved Thermomechanical and Chemical Stability of Perovskite Solar Cells

This project focused on the development of metal halide perovskite-polymeric nanofiber nanocomposites for robust and efficient solar cells. Metal halide perovskite solar cells are a potentially disruptive technology with high efficiencies and low-cost solution processability amenable with roll-to-roll fabrication of flexible devices. However, perovskites exhibit extreme brittleness, high internal film stresses, and chemical instabilities that significantly limit service lifetimes under normal operating conditions. To date, most work addressing these shortcomings has been focused on encapsulating devices between thick layers of rigid materials such as glass, which increases the total weight and cost of devices. Furthermore, these rigid and heavy encapsulants do not translate well to emerging solar markets vital for national security, including integrated mobile power, emergency deployments for disaster relief and military engagement, and lightweight power for space. It is therefore critical to improve the thermomechanical and chemical stability of perovskite devices in a way that is compatible with flexible and lightweight substrates. In this project, we integrated nylon-6,6 nanofibers into MAPbI3 to mechanically reinforce the perovskite, demonstrating films that exhibited fracture energies 5-fold greater than pristine MAPbI3 while also maintaining similar power conversion efficiencies due to beneficial light scattering effects from the polymeric nanofibers. These results required successful development of approaches to control the deposition thickness of nanofiber mats down to 100s of nanometers, and to ensure the polymer nanofibers did not inhibit charge transport to the at the perovskite-transport layer interface.

14 SOLAR ENERGY↗
DOE OSTI2012

THE GROWTH OF GALAXY STELLAR MASS WITHIN DARK MATTER HALOS

We study the evolution of stellar mass in galaxies as a function of host halo mass, using the 'MPA' and 'Durham' semi-analytic models, implemented on the Millennium Run simulation. For both models, the stellar mass of the central galaxies increases rapidly with halo mass at the low-mass end and more slowly in halos of larger masses at the three redshifts probed (z {approx} 0, 1, 2). About 45% of the stellar mass in central galaxies in present-day halos less massive than {approx}10{sup 12} h{sup -1} M{sub Sun} is already in place at z {approx} 1, and this fraction increases to {approx}65% for more massive halos. The baryon conversion efficiency into stars has a peaked distribution with halo mass, and the peak location shifts toward lower mass from z {approx} 1 to z {approx} 0. The stellar mass in low-mass halos grows mostly by star formation since z {approx} 1, while in high-mass halos most of the stellar mass is assembled by mergers, reminiscent of 'downsizing'. We compare our findings to empirical results from the Sloan Digital Sky Survey and DEEP2 surveys utilizing galaxy clustering measurements to study galaxy evolution. The theoretical predictions are in qualitative agreement with these phenomenological results, but there are large discrepancies. The most significant one concerns the number of stars already in place in the progenitor galaxies at z {approx} 1, which is about a factor of two larger in both semi-analytic models. We demonstrate that methods studying galaxy evolution from the galaxy-halo connection are powerful in constraining theoretical models and can guide future efforts of modeling galaxy evolution. Conversely, semi-analytic models serve an important role in improving such methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Harnessing Structure-Property Relationships for Poly(alkyl thiophene)-Fullerene Derivative Thin Filmsto Optimize Performance in Photovoltaic Devices

Nanoscale bulk heterojunction (BHJ) systems, consisting of fullerenes dispersed in conjugated polymers as the active component, have been actively studied over the last decades in order to produce high performance organic photovoltaics (OPVs). A significant role in device efficiency is played by the active layer morphology, but despite considerable study, a full understanding of the exact role that morphology plays and therefore a definitive method to produce and control an ideal morphology is lacking. In order to understand the BHJ phase behavior and associated morphology in these devices, we have used neutron reflection, together with grazing incidence X-ray and neutron scattering and X-ray photoelectron spectroscopy (XPS) to determine the morphology of the BHJ active layer in functional devices. We have studied nine model BHJ systems based on mixtures of three poly(3-alkyl thiophenes, P3AT) (A=butyl, hexyl, octyl) blended with three different fullerene derivatives, which provides variations in crystallinity and miscibility within the BHJ composite. In studying properties of functional devices, we show a direct correlation between the observed morphology within the BHJ layer and the device performance metrics, i.e., the short-circuit current (J SC ), fill factor (FF), open-circuit voltage (VOC) and overall power conversion efficiency (PCE). Using these model systems, the effect of typical thermal annealing processes on the BHJ morphology through the film thickness as a function of the polythiophene-fullerene mixtures and different electron transport layer interfaces has been determined. It is shown that fullerene enrichment occurs at both the electrode interfaces after annealing. The degree of fullerene enrichment is found to strongly correlate with J SC and to a lesser degree with FF. Finally, based on these findings we demonstrate that by deliberately adding a fullerene layer at the electron transport layer interface, J SC can be increased by up to 20%, resulting in an overall increase in PCE of 5%.

36 MATERIALS SCIENCE↗