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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Photovoltaic conversion of visible spectrum by GaP capped InP quantum dots grown on Si (100) by metalorganic chemical vapor deposition

Growth of GaP capped strained InP quantum dots was carried out by metal organic chemical vapor deposition technique on Si (100) substrates to explore an alternative material system for photovoltaic conversion. Studies on reflectance spectroscopy show higher absorption of visible photons compared to scattering. Smooth and defect free interface provides low dark current with high rectification ratio. A solar cell made of five periods of quantum dots is found to provide a conversion efficiency of 4.18% with an open circuit voltage and short circuit current density of 0.52 V and 13.64 mA/cm{sup 2}, respectively, under AM 1.5 solar radiation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

CsI-Antisolvent Adduct Formation in All-Inorganic Metal Halide Perovskites

The excellent optoelectronic properties shown by hybrid organic/inorganic metal halide perovskites are all predicated on precisely controlling the exact nucleation and crystallization dynamics that occur during film formation. In general, high-performance thin films are obtained by a method commonly called solvent engineering (or antisolvent quench) processing. The solvent engineering method removes excess solvent, but importantly leaves behind solvent that forms chemical adducts with the lead-halide precursor salts. These adduct-based precursor phases control nucleation and the growth of the polycrystalline domains. There has not yet been a comprehensive study comparing the various antisolvents used in different perovskite compositions containing cesium. In addition, there have been no reports of solvent engineering for high efficiency in all-inorganic perovskites such as CsPbI 3 . In this work, inorganic perovskite composition CsPbI 3 is specifically targeted and unique adducts formed between CsI and precursor solvents and antisolvents are found that have not been observed for other A-site cation salts. These CsI adducts control nucleation more so than the PbI 2 -dimethyl sulfoxide (DMSO) adduct and demonstrate how the A-site plays a significant role in crystallization. The use of methyl acetate (MeOAc) in this solvent engineering approach dictates crystallization through the formation of a CsI-MeOAc adduct and results in solar cells with a power conversion efficiency of 14.4%.

14 SOLAR ENERGY↗
DOE OSTI2018

Copper adparticle enabled selective electrosynthesis of n-propanol

Here, the electrochemical reduction of carbon monoxide is a promising approach for the renewable production of carbon-based fuels and chemicals. Copper shows activity toward multi-carbon products from CO reduction, with reaction selectivity favoring two-carbon products; however, efficient conversion of CO to higher carbon products such as n-propanol, a liquid fuel, has yet to be achieved. We hypothesize that copper adparticles, possessing a high density of under-coordinated atoms, could serve as preferential sites for n-propanol formation. Density functional theory calculations suggest that copper adparticles increase CO binding energy and stabilize two-carbon intermediates, facilitating coupling between adsorbed *CO and two-carbon intermediates to form three-carbon products. We form adparticle-covered catalysts in-situ by mediating catalyst growth with strong CO chemisorption. The new catalysts exhibit an n-propanol Faradaic efficiency of 23% from CO reduction at an n-propanol partial current density of 11 mA cm –2 .

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

As‐Cast Ternary Organic Solar Cells Based on an Asymmetric Side‐Chains Featured Acceptor with Reduced Voltage Loss and 14.0% Efficiency

Abstract A new small‐molecule nonfullerene acceptor based on the benzo[1,2‐ b :4,5‐ b ′]dithiophene (BDT) fused central core with asymmetrical alkoxy and thienyl side chains, namely TOBDT , is designed and synthesized. The alkoxy unit helps narrow the bandgap, and thienyl side chain helps enhance the intermolecular interaction. As a result, TOBDT is suitable to match the deep‐lying highest occupied molecular orbital (HOMO) of polymer donor PM6 . Then, a strong crystalline acceptor IDIC is introduced as the third component to fabricate as‐cast nonfullerene ternary devices to achieve absorption and morphology control. Addition of IDIC not only mixes well with TOBDT but modulates the morphology of the blend film, which helps to balance the charge transport properties and reduce the photovoltage loss of ternary devices. All these contribute to synergetic improvement of J sc , V oc , and fill factor parameters, leading to a power conversion efficiency of 14.0% for the as‐cast fullerene‐free ternary device.

Chen, Xuebin↗
DOE OSTI2025

Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid additives into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional solid additives are actively designed, and investigated the synergistic effect on both donor and acceptor layers. Incorporating the multifunctional solid additives into the donor layer could effectively enhance the aggregation and molecular stacking of the donor polymer, leading to reduced energy disorder and minimizing ΔE 2 . When the multifunctional solid additives are introduced into the acceptor layer, they just play a role in optimizing the morphology, thereby reducing the ΔE 3 . Excitedly, the simultaneous addition of the multifunctional solid additives into both donor and acceptor layers produced a synergistic effect for decreasing ΔE 2 and ΔE 3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) of 19.95% (certified as 19.68%) with an open-circuit voltage (V oc ) of 0.921 V, a short circuit current density (J sc ) of 27.08 mA cm -2 and a fill factor (FF) of 79.98%. The work highlights the potential of multifunctional solid additives in independently regulating the properties of donor and acceptor layers, which is expected as a promising approach for further developing higher performance PSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Rapid Aqueous Spray Fabrication of Robust NiO x : A Simple and Scalable Platform for Efficient Perovskite Solar Cells

Organometal halide perovskites have powerful intrinsic potential to drive next-generation solar technology, but their insufficient thermomechanical reliability and unproven large-area manufacturability limit competition with incumbent silicon photovoltaics. This work addresses these limitations by leveraging large-area processing and robust inorganic hole transport layers (HTLs). Inverted perovskite solar cells utilizing NiO x HTLs deposited by rapid aqueous spray-coating that outperform spin-coated NiO x and lead to a 5× improvement in the fracture energy (Gc), a primary metric of thermomechanical stability, are presented. Additionally, the morphology, chemical composition, and optoelectronic properties of the NiO x films are characterized to understand and optimize compatibility with an archetypal double cation perovskite, Cs .17 FA .83 Pb(Br .17 I .83 ) 3 . Perovskite solar cells with sprayed NiO x show higher photovoltaic performance, exhibiting up to 82% fill factor and 17.7% power conversion efficiency (PCE)—the highest PCE reported for inverted cell with scalable charge transport layers—as well as excellent stability under full illumination and after 4000 h aging in inert conditions at room temperature. By utilizing open-air techniques and aqueous precursors, this combination of robust materials and low-cost processing provides a platform for scaling perovskite modules with long-term reliability.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Photovoltaic Blend Microstructure for High Efficiency Post-Fullerene Solar Cells. To Tilt or Not To Tilt?

Achieving efficient polymer solar cells (PSCs) requires a structurally optimal donor-acceptor heterojunction morphology. In this paper, we report the combined experimental and theoretical characterization of a benzodithiophene benzothiadiazole donor polymer series (PBTZF4-R; R = alkyl substituent) blended with the non-fullerene acceptor ITIC-Th, and analyse the effects of substituent dimensions on blend morphology, charge transport, carrier dynamics, and PSC metrics. Varying substituent dimensions has a pronounced effect on the blend morphology with a direct link between domain purity, to some extent domain dimensions, and charge generation and collection. The polymer with the smallest alkyl substituent yields the highest PSC power conversion efficiency (PCE, 11%), reflecting relatively small, high-purity domains, and possibly benefiting from “matched” donor polymer - small molecule acceptor orientations. The distinctive morphologies arising from the substituents are investigated using molecular dynamics (MD) computation which reveals that substituent dimensions dictate a well-defined set of polymer conformations, in turn driving chain aggregation, and ultimately, the various film morphologies and mixing with acceptor small molecules. Finally, a straightforward energetic parameter explains the experimental polymer domain morphological trends, hence PCE, and suggests strategies for substituent selection to optimize PSC materials morphologies.

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

Activated graphene nanoplatelets as a counter electrode for dye-sensitized solar cells

Activated graphene nanoplatelets (aGNPs) prepared by a hydrothermal method using KOH as activating agent were used as counter electrode for high efficiency dye-sensitized solar cells (DSSCs). After the KOH activation, the scanning electron microscopy image shows that aGNPs demonstrate a more curled, rough, and porous morphology which could contain both micro- and mesopores. The KOH activation changed the stacked layers of GNPs to a more crumpled and curved morphology. The microstructure of large pores significantly increased the electrode surface area and roughness, leading to the high electrocatalytic activity for triiodide reduction at the counter electrode. The DSSCs fabricated using aGNP as counter electrodes were tested under standard AM 1.5 illumination with an intensity of 91.5 mW/cm{sup 2}. The device achieved an overall power conversion efficiency of 7.7%, which is comparable to the conventional platinum counter electrode (8%). Therefore, the low cost and high performance aGNP based counter electrode is a promising alternative to conventional Pt counter electrode in DSSCs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Guanidinium-Assisted Surface Matrix Engineering for Highly Efficient Perovskite Quantum Dot Photovoltaics

Metal halide perovskite quantum dots (Pe-QDs) are of great interest in new-generation photovoltaics (PVs). However, it remains challenging in the construction of conductive and intact Pe-QD films to maximize their functionality. Herein, a ligand-assisted surface matrix strategy to engineer the surface and packing states of Pe-QD solids is demonstrated by a mild thermal annealing treatment after ligand exchange processing (referred to as “LE-TA”) triggered by guanidinium thiocyanate. The “LE-TA” method induces the formation of surface matrix on CsPbI 3 QDs, which is dominated by the cationic guanidinium (GA+) rather than the SCN-, maintaining the intact cubic structure and facilitating interparticle electrical interaction of QD solids. Consequently, the GA-matrix-confined CsPbI 3 QDs exhibit remarkably enhanced charge mobility and carrier diffusion length compared to control ones, leading to a champion power conversion efficiency of 15.21% when assembled in PVs, which is one of the highest among all Pe-QD solar cells. Additionally, the “LE-TA” method shows similar effects when applied to other Pe-QD PV systems like CsPbBr 3 and FAPbI 3 (FA = formamidinium), indicating its versatility in regulating the surfaces of various Pe-QDs. This work may afford new guidelines to construct electrically conductive and structurally intact Pe-QD solids for efficient optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Twisted A-D-A Type Acceptors with Thermally-Activated Delayed Crystallization Behavior for Efficient Nonfullerene Organic Solar Cells

We report that molecular aggregation and crystallization during film coating play a crucial role in the realization of high-performing organic photovoltaics. Strong intermolecular interactions and high solid-state crystallinity are beneficial for charge transport. However, fast crystallization during thin-film drying often limits the formation of the finely phase-separated morphology required for efficient charge generation. Herein, the authors show that twisted acceptor-donor-acceptor (A-D-A) type compounds, containing an indacenodithiophene (IDT) electron-rich core and two naphthalenediimide (NDI) electron-poor units, leads to formation of mostly amorphous phases in the as-cast film, which can be readily converted into more crystalline domains by means of thermal annealing. This design strategy solves the aforementioned conundrum, leading to an optimal morphology in terms of reduced donor/acceptor domain-separation sizes (ca. 13 nm) and increased packing order. Solar cells based on these acceptors with a PBDB-T polymer donor show a power conversion efficiency over 10% and stable morphology, which results from the combined properties of desirable excited-state dynamics, high charge mobility, and optimal aggregation/crystallization characteristics. These results demonstrate that the twisted A-D-A motif featuring thermally-induced crystallization behavior is indeed a promising alternative design approach toward more morphologically robust materials for efficient organic photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2012

Updated Greenhouse Gas and Criteria Air Pollutant Emission Factors and Their Probability Distribution Functions for Electricity Generating Units

Greenhouse gas (CO 2 , CH 4 and N 2 O, hereinafter GHG) and criteria air pollutant (CO, NO x , VOC, PM 10 , PM 2.5 and SO x , hereinafter CAP) emission factors for various types of power plants burning various fuels with different technologies are important upstream parameters for estimating life-cycle emissions associated with alternative vehicle/fuel systems in the transportation sector, especially electric vehicles. The emission factors are typically expressed in grams of GHG or CAP per kWh of electricity generated by a specific power generation technology. This document describes our approach for updating and expanding GHG and CAP emission factors in the GREET (Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation) model developed at Argonne National Laboratory (see Wang 1999 and the GREET website at http://greet.es.anl.gov/main) for various power generation technologies. These GHG and CAP emissions are used to estimate the impact of electricity use by stationary and transportation applications on their fuel-cycle emissions. The electricity generation mixes and the fuel shares attributable to various combustion technologies at the national, regional and state levels are also updated in this document. The energy conversion efficiencies of electric generating units (EGUs) by fuel type and combustion technology are calculated on the basis of the lower heating values of each fuel, to be consistent with the basis used in GREET for transportation fuels. On the basis of the updated GHG and CAP emission factors and energy efficiencies of EGUs, the probability distribution functions (PDFs), which are functions that describe the relative likelihood for the emission factors and energy efficiencies as random variables to take on a given value by the integral of their own probability distributions, are updated using best-fit statistical curves to characterize the uncertainties associated with GHG and CAP emissions in life-cycle modeling with GREET.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Enhancing the Efficiency of Organic Photovoltaics by a Photoactive Molecular Mediator

High boiling-point solvent additives, such as 1,8-diiodooctane, have been widely used to tune nanoscale phase morphology for increased efficiency in bulk heterojunction organic solar cells. However, liquid-state solvent additives remain in the active films for extended times and later migrate or evaporate from the films, leading to unstable device performance. Here, a solid-state photoactive molecular mediator, namely N(BAI) 3 , is reported that could be employed to replace the commonly used solvent additives to tune the morphology of bulk heterojunction films for improved device performance. The N(BAI) 3 mediator not only resides in the active films locally to fine tune the phase morphology, but also contributes to the additional absorption of the active films, leading to ~11% enhancement of power conversion efficiency of P3HT:PC 60 BM devices. Comparative studies are carried out to probe the nanoscale morphologies using grazing incidence wide-angle X-ray scattering and complementary neutron reflectometry. The use of 1 wt% N(BAI) 3 is found to effectively tune the packing of P3HT, presumably through balanced π-interactions endowed by its large conjugated π surface, and to promote the formation of a PC 60 BM-rich top interfacial layer. Finally, these findings open up a new way to effectively tailor the phase morphology by photoactive molecular mediators in organic photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2017

Ni-doped α-Fe 2 O 3 as electron transporting material for planar heterojunction perovskite solar cells with improved efficiency, reduced hysteresis and ultraviolet stability

We report on high-efficiency planar heterojunction perovskite solar cells (PSCs) employing Ni-doped alpha-Fe2O3 as electron-transporting layer (ETL). The suitable addition of nickel (Ni) dopant could enhance the electron conductivity as well as induce downward shift of the conduction band minimum for alpha-Fe2O3, which facilitate electrons injection and transfer from the conduction band of the perovskite. As a consequence, a substantial reduction in the charge accumulation at the perovskite/ETL interface makes the device much less sensitive to scanning rate and direction, i.e., lower hysteresis. With a reverse scan for the optimized PSC under standard AM-1.5 sunlight illumination, it generates a competitive power conversion efficiency (PCE) of 14.2% with a large short circuit current (J(sc)) of 22.35 mA/cm(2), an open circuit photovoltage (V-oc) of 0.92 V and a fill factor (FF) of 69.1%. Due to the small J-V hysteresis behavior, a higher stabilized PCE up to 11.6% near the maximum power point can be reached for the device fabricated with 4 mol% Ni-doped alpha-Fe2O3 ETL compared with the undoped alpha-Fe2O3 based cell (9.2%). Furthermore, a good stability of devices with exposure to ambient air and high levels of ultraviolet (UV)-light can be achieved. Overall, our results demonstrate that the simple solution-processed Ni-doped alpha-Fe2O3 can be a good candidate of the n-type collection layer for commercialization of PSCs.

14 SOLAR ENERGY↗
DOE OSTI2024

Efficient laser-driven proton acceleration from a petawatt contrast-enhanced second harmonic mixed-glass laser system

Efficient laser-driven plasma acceleration of ion beams requires precision control of the target–plasma profile, which is crucial to optimize the laser energy transfer. Along the laser propagation direction, this can be achieved by tailoring the temporal structure of the laser pulse. We show for the first time that frequency-doubling of a short pulse (hundreds-femtosecond range) petawatt-class mixed-glass laser system, which results in temporal intensity contrast enhancement, enables surface and volumetric laser–energy coupling, and the acceleration of proton beams from few-nanometer-thick foil targets. Experimentally, maximum ion energies and laser-to-proton energy conversion efficiencies were found to be both maximized at optimum laser and target conditions manifested when the normalized target density nearly equalizes the normalized laser vector potential, which is in agreement with theory and simulations. These signatures are recognized as a unique indication of the interaction between ultra-intense laser pulses with high temporal intensity contrast and ultra-thin nanometer-scale targets. Transverse modulations of accelerated proton beams in the form of bubble- and ring-like structures measured in the thinnest targets provide additional evidence of volumetric laser-driven particle acceleration regimes and transitional features in ultra-thin foil targets specific to laser–plasma interactions characterized by a high temporal intensity contrast. These results open avenues in the generation of high contrast laser pulses from short-pulse-femtosecond petawatt mixed-glass laser systems and demonstrate the feasibility of this technique for applications requiring high laser intensity contrast with high efficiency.

Physics↗
DOE OSTI2018

High‐Efficiency All‐Small‐Molecule Organic Solar Cells Based on an Organic Molecule Donor with Alkylsilyl‐Thienyl Conjugated Side Chains

Abstract Two medium‐bandgap p‐type organic small molecules H21 and H22 with an alkylsily‐thienyl conjugated side chain on benzo[1,2‐ b :4,5‐ b ′]dithiophene central units are synthesized and used as donors in all‐small‐molecule organic solar cells (SM‐OSCs) with a narrow‐bandgap n‐type small molecule 2,2′‐((2Z,2′Z)‐((4,4,9,9‐tetrahexyl‐4,9‐dihydro‐ s ‐indaceno[1,2‐ b :5,6‐ b ′]dithiophene‐2,7‐diyl)bis(methanylylidene))bis(3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalononitrile (IDIC) as the acceptor. In comparison to H21 with 3‐ethyl rhodanine as the terminal group, H22 with cyanoacetic acid esters as the terminal group shows blueshifted absorption, higher charge‐carrier mobility and better 3D charge pathway in blend films. The power conversion efficiency (PCE) of the SM‐OSCs based on H22:IDIC reaches 10.29% with a higher open‐circuit voltage of 0.942 V and a higher fill factor of 71.15%. The PCE of 10.29% is among the top efficiencies of nonfullerene SM‐OSCs reported in the literature to date.

Bin, Haijun↗
DOE OSTI2024

De Novo Design of Spiro-Type Hole-Transporting Material: Anisotropic Regulation Toward Efficient and Stable Perovskite Solar Cells

2,2',7,7'-Tetrakis(N,N-di-p-methoxyphenyl)-amine-9,9'-spirobifluorene (Spiro-OMeTAD) represents the state-of-the-art hole-transporting material (HTM) in n-i-p perovskite solar cells (PSCs). However, its susceptibility to stability issues has been a long-standing concern. In this study, we embark on a comprehensive exploration of the untapped potential within the family of spiro-type HTMs using an innovative anisotropic regulation strategy. Diverging from conventional approaches that can only modify spirobifluorene with single functional group, this approach allows us to independently tailor the two orthogonal components of the spiro-skeleton at the molecular level. The newly designed HTM, SF-MPA-MCz, features enhanced thermal stability, precise energy level alignment, superior film morphology, and optimized interfacial properties when compared to Spiro-OMeTAD, which contribute to a remarkable power conversion efficiency (PCE) of 24.53% for PSCs employing SF-MPA-MCz with substantially improved thermal stability and operational stability. Note that the optimal concentration for SF-MPA-MCz solution is only 30 mg/ml, significantly lower than Spiro-OMeTAD (>70 mg/ml), which could remarkably reduce the cost especially for large-area processing in future commercialization. This work presents a promising avenue for the versatile design of multifunctional HTMs, offering a blueprint for achieving efficient and stable PSCs.

14 SOLAR ENERGY↗
DOE OSTI2017

O-Functionalized CNT Mediated CO Hydro-Deoxygenation and Chain Growth

Worldwide energy independence is reliant on the ability to leverage locally available resources for fuel production. Recently, syngas produced through gasification of carbonaceous materials provided a gateway to a host of processes for the production of various chemicals including transportation fuels. The basis of the production of gasoline and diesel-like fuels is the Fischer Tropsch Synthesis (FTS) process: A catalyzed chemical reaction that converts a mixture of carbon monoxide (CO) and hydrogen (H 2 ) into long chain hydrocarbons. Until now, it has been argued that only transition metal catalysts (usually Co or Fe) are active toward the CO hydrogenation and subsequent chain growth in the presence of hydrogen. In this paper, we demonstrate that carbon nanotube (CNT) surfaces are also capable of hydro-deoxygenating CO and producing long chain hydrocarbons similar to that obtained through the FTS but with orders of magnitude higher conversion efficiencies than the present state-of-the-art FTS catalysts. We have used advanced experimental tools such as XPS and microscopy techniques to characterize CNTs and identify C-O functional groups as the active sites for the enhanced catalytic activity. Furthermore, we have conducted quantum Density Functional Theory (DFT) calculations to confirm that C-O groups (inherent on CNT surfaces) could indeed be catalytically active towards reduction of CO with H 2 , and capable of sustaining chain growth. The DFT calculations have shown that the kinetically and thermodynamically feasible route for CO insertion and hydro-deoxygenation are different from that on transition metal catalysts. Experiments on a continuous flow tubular reactor with various nearly metal-free CNTs have been carried out and the products have been analyzed. CNTs functionalized by various methods were evaluated under different conditions. Reactor tests revealed that the hydrogen pre-treatment reduced the activity of the catalysts to negligible levels. Without the pretreatment, the activity for CO conversion as found to be 7 µmol CO/g CNT/s. The O-functionalized samples showed very activities greater than 85 µmol CO/g CNT/s with nearly 100% conversion. Analyses show that CO hydro-deoxygenation occurred at the C-O/O-H functional groups. It was found that while the products were similar to FT products, differences in selectivities were observed which, in turn, was a result of a different catalytic mechanism. Furthermore, these findings now open a new paradigm for CNT-based hydrogenation catalysts and constitute a defining point for obtaining clean, earth abundant, alternative fuels through the use of efficient and renewable catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗