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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effect of heterostructure engineering on electronic structure and transport properties of two-dimensional halide perovskites

Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions (2D) of organic–inorganic halide perovskites promises an exciting opportunity to tune their electronic properties. Here, we explore the effect of reduced dimensionality and heterostructure engineering on the intrinsic material properties, such as energy stability, bandgap and transport properties of 2D hybrid organic–inorganic halide perovskites using first-principles density functional theory. We show that the energy stability of engineered perovskite heterostructures is significantly enhanced. The heterostructures with improved stability also show excellent transport properties similar to their bulk counterparts. Furthermore, these layered chemistries demonstrate the advantage of a broad range of tunable bandgaps and high-absorption coefficient in the visible spectrum. The proposed 2D heterostructured material holds potential for nano-optoelectronic devices as well as for effective photovoltaics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhance the performance of organic solar cells by nonfused ring electron acceptors bearing a pendent perylenediimide group

A new nonfused ring electron acceptor PDI-DO-2F is designed and synthesized by attaching perylenediimide (PDI) unit as a pendent group to the central donor core. Compared with the control molecule DO-2F, the introduction of PDI lateral substituent can greatly enhance the solubility and decrease the crystallinity of the resulted acceptor. The PBDB-T:PDI-DO-2F blend film exhibits a much better morphology with higher and more balanced carrier mobility in contrast to PBDB-T:DO-2F one. PDI-DO-2F based organic solar cells (OSCs) give a power conversion efficiency (PCE) of 11.78%, higher than DO-2F based ones (9.82%). Furthermore, PDI-DO-2F based OSCs shows a ΔE non-rad value of 0.23 eV, which is significantly lower than the DO-2F based ones (0.28 eV). More importantly, the addition of PDI-DO-2F as the third component to the PBDB-T:DO-2F binary system can optimize the morphology of blend films and improve the shelf stability of devices. Finally, the PBDB-T:DO-2F:PDI-DO-2F based ternary OSCs achieve a higher PCE of 13.82%.

14 SOLAR ENERGY↗
DOE OSTI2017

Chemistry of K in Cu(In,Ga)Se 2 photovoltaic absorbers: Effects of temperature on Cu-K-In-Se films

Incorporation of K has led to world record Cu(In,Ga)Se 2 photovoltaic power conversion efficiencies, but there is poor consensus about the role of phase impurities in these advances. This work lays a foundation for identifying and controlling these phase impurities. Films of Cu-K-In-Se were co-evaporated at varied K/(K + Cu) compositions and substrate temperatures (with constant (K + Cu)/In ~ 0.85). Increased Na composition on the substrate's surface and decreased growth temperature were both found to favor Cu 1-x K x InSe 2 alloy formation, relative to two-phase CuInSe 2 +KInSe 2 formation. Structures from X-ray diffraction (XRD), band gaps, resistivities, minority carrier lifetimes and carrier concentrations from time-resolved photoluminescence were in agreement with previous reports, where low K/(K + Cu) composition films exhibited properties promising for photovoltaic absorbers. Films grown at 400-500 °C were then annealed to 600 degrees C in a controlled Se ambient, which caused K loss by evaporation in proportion to the initial K/(K + Cu) composition. Similar to growth temperature, annealing drove Cu 1-x K x InSe 2 alloy consumption and CuInSe 2 +KInSe 2 production, as evidenced by high temperature XRD. Annealing also decomposed KInSe 2 and formed K 2 In 12 Se 19 . At high temperature, the KInSe 2 crystal lattice gradually contracted as temperature and time increased, as well as just time. Evaporative loss of K during annealing could accompany the generation of vacancies on K lattice sites, and may explain the KInSe 2 lattice contraction. As a result, this knowledge of Cu-K-In-Se material chemistry may be used to predict and control minor phase impurities in Cu(In,Ga)(Se,S) 2 photovoltaic absorbers - where impurities below typical detection limits may have played a role in recent world record photovoltaic efficiencies that utilized KF post-deposition treatments.

14 SOLAR ENERGY↗
DOE OSTI2020

Carbon quantum dots interfacial modified graphene/silicon Schottky barrier solar cell

The two-dimensional thin film, as an effective interface modification layer to improve the power conversion efficiency (PCE) of graphene/silicon (Gr/Si) heterojunction solar cells has attracted extensive attention recently. However, the complicated manufacturing process and specialized equipment requirements impede its broad application. Herein, carbon quantum dots (CQDs) fabricated under the mild reaction condition was first time used to modify Gr/Si devices interface structure. The effects of CQDs size distributions and coating thickness on J-V characteristics and the energy band structure of Gr/CQDs/Si solar cells were systematically analyzed. The findings indicate that the PCE of resulting Gr/CQDs/Si solar cells could reach 9.97% when the thickness and sizes of CQDs interlayer are ~26 nm and 4–7 nm, without any chemical doping, which is 6.8-times PCE than that of virgin Gr/Si solar cells. The CQDs interlayer serves as both an electron blocking layer and hole transport layer to reduce the carrier recombination, leading to a lower reverse saturation current as well as a larger VOC then improved the device performance. The enhanced PCE shows that the CQDs species have the potential applications in a cost-effective photovoltaic device.

14 SOLAR ENERGY↗
DOE OSTI2020

Tailored PEDOT:PSS hole transport layer for higher performance in perovskite solar cells: Enhancement of electrical and optical properties with improved morphology

Precise control over the charge carrier dynamics throughout the device can result in outstanding performance of perovskite solar cells (PSCs). Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is the most actively studied hole transport material in p-i-n structured PSCs. However, charge transport in the PEDOT:PSS is limited and inefficient because of its low conductivity with the presence of the weak ionic conductor PSS. In addition, morphology of the underlying PEDOT:PSS layer in PSCs plays a crucial role in determining the optoelectronic quality of the active perovskite absorber layer. This work is focused on realization of a non-wetting conductive surface of hole transport layer suitable for the growth of larger perovskite crystalline domains. This is accomplished by employing a facile solvent-engineered (ethylene glycol and methanol) approach resulting in removal of the predominant PSS in PEDOT:PSS. The consequence of acquiring larger perovskite crystalline domains was observed in the charge carrier dynamics studies, with the achievement of higher charge carrier lifetime, lower charge transport time and lower transfer impedance in the solvent-engineered PEDOT:PSS-based PSCs. Use of this solvent-engineered treatment for the fabrication of MAPbI3 PSCs greatly increased the device stability witnessing a power conversion efficiency of 18.18%, which corresponds to ~37% improvement compared to the untreated PEDOT:PSS based devices.

14 SOLAR ENERGY↗
DOE OSTI2023

Photoelectrochemical and Photovoltaic Performance of As-deposited Ink-based CuInS 2 Heterojunction Thin Film

In this report, we demonstrate low-temperature ink-based fabrication of CuInS 2 -based photoelectrodes for hydrogen production capable of producing photocurrent densities as high as 8.8mA.cm -2 . In this process, molecular ink made of metal chlorides and thiourea dissolved in methanol was spin coated onto Mo-coated soda lime glass substrates. Samples were then placed on a hot plate (sample surface temperature: 250°C) to induce CuInS 2 formation and remove the solvent and by-products. No further processing, such as high temperature sulfurization, was performed. Further, the CuInS 2 films were then integrated as photocathode for hydrogen evolution by photoelectrodeposition of Pt nanoparticles. Photocurrent density of 0.4mA.cm -2 at 0V vs. RHE was detected from such electrodes. However, samples coated with CdS/ZnO/ITO overlayers forming heterojunction prior to Pt deposition exhibited significant improvement of the photocurrent density, reaching 8.8mA.cm -2 at 0V vs. RHE, highlighting the improved charge transfer by the p-n junction formed at the CuInS 2 /CdS interface. The charge transfer resistance of the CuInS 2 /CdS/ZnO/ITO-Pt photoelectrode was almost 5 times lower than that of the CuInS 2 -Pt photoelectrode as revealed by electrochemical impedance spectroscopy analysis. In addition, the onset potential was shifted by ca. 0.45V toward the anodic direction, reaching 0.75V vs. RHE. Solar cell made of identical structure (Mo/CuInS 2 /CdS/ZnO/ITO) showed power conversion efficiency of 2.1% with short-circuit photocurrent density and open circuit voltage of 7.4mA.cm -2 and 820mV, respectively.

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

Accelerating Photovoltaic Market Entry with Module Replacement

Today's approach to deploying solar photovoltaics (PV) implicitly assumes that module technology is fixed. Solar panels are installed and expected to operate for the system life of 30 years or more. However, many PV technologies are improving rapidly along several dimensions, including cost, power conversion efficiency, and reliability. Periodic module replacement or planned repowering takes advantage of this technological improvement and counteracts predictable degradation. Here, we show that a module replacement strategy allows a competitive levelized cost of electricity to be achieved with an initial module lifetime of less than 15 years, assuming backward compatibility with the original system design. We also assess the life-cycle environmental impacts of module replacement and find that all commercial PV technologies offer benefits in the majority of impact categories, regardless of the replacement strategy, compared to today's electric generation mix. Module replacement can thus accelerate the market introduction and decarbonization impact of emerging PV technologies that have achieved a competitive module efficiency (=20%), cost (=$0.30/W), and lifetime (=10 years) and have the potential to improve further on all three metrics but lack decades-long field deployment experience.

14 SOLAR ENERGY↗
DOE OSTI2020

Metal Halide Perovskites in Quantum Dot Solar Cells: Progress and Prospects

“Go big or go home” could never be a truer statement, especially when it comes to energy. The world population is increasing, the energy use per person is growing more rapidly, and the total electricity use per person is growing even more quickly than that. To handle this demand, energy production must be increased, and it is vital for renewable sources to be used. Currently three quarters of a terawatt of power generated from photovoltaics (PVs) has been installed. At a somewhat optimistic average power-conversion efficiency of 18%, the distributed surface area of high purity optoelectronic grade semiconductor photovoltaic panels pointed at the sun is substantially larger than the area of the whole state of Rhode Island or nearly double the land mass of Luxembourg. While photovoltaic production continues to ramp to immense proportions, perovskite semiconductors are poised to greatly complement existing technology. On the other end of the size spectrum, the study of semiconductor nanocrystals or quantum dots (QDs) has led to advanced structures and deeper understanding within halide perovskite semiconductors. In this article, we show how the development of nanoscale metal halide perovskite semiconductors have gained prominence surpassing all other QD materials in terms of efficiency, and are becoming a platform for further improving technology to solve big energy challenges.

14 SOLAR ENERGY↗
DOE OSTI2022

Machine learning with knowledge constraints for process optimization of open-air perovskite solar cell manufacturing

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost, scalable, and high-throughput manufacturing techniques. One of the critical challenges of developing a new fabrication technique is the high-dimensional parameter space for optimization, but machine learning (ML) can readily be used to accelerate perovskite PV scaling. Herein, we present an ML-guided framework of sequential learning for manufacturing process optimization. We apply our methodology to the Rapid Spray Plasma Processing (RSPP) technique for perovskite thin films in ambient conditions. With a limited experimental budget of screening 100 process conditions, we demonstrated an efficiency improvement to 18.5% as the best-in-our-lab device fabricated by RSPP, and we also experimentally found 10 unique process conditions to produce the top-performing devices of more than 17% efficiency, which is 5 times higher rate of success than the control experiments with pseudo-random Latin hypercube sampling. Our model is enabled by three innovations: (a) flexible knowledge transfer between experimental processes by incorporating data from prior experimental data as a probabilistic constraint; (b) incorporation of both subjective human observations and ML insights when selecting next experiments; (c) adaptive strategy of locating the region of interest using Bayesian optimization first, and then conducting local exploration for high-efficiency devices. Furthermore, in virtual benchmarking, our framework achieves faster improvements with limited experimental budgets than traditional design-of-experiments methods (e.g., one-variable-at-a-time sampling). This framework shows the capability of incorporating researchers’ domain knowledge into the ML-guided optimization loop; therefore, it has the potential to facilitate the wider adoption of ML in scaling to perovskite PV manufacturing.

14 SOLAR ENERGY↗
DOE OSTI2022

Multilevel peel-off patterning of a prototype semitransparent organic photovoltaic module

Semitransparent organic photovoltaics (ST-OPVs) with applications to power generating windows have shown substantial increases in power conversion efficiency (PCE) and average photopic transmission (APT) at the laboratory scale. Here, the demonstration of similarly efficient, large-scale ST-OPV modules with geometric fill factors (GFF) approaching 100%, however, remains a challenge. Here, we employ a multilevel peel-off patterning method that can achieve micron-scale resolution without exposing chemically sensitive organic materials to solvents. Eight, 4 cm × 0.4 cm cells are connected in series to realize a prototype ST-OPV module with GFF = 95.8%, with PCE = 7.3 ± 0.2% under simulated AM 1.5G illumination at 1 sun intensity, APT = 41.8 ± 1.4%, and a light utilization efficiency of LUE = 3.1 ± 0.1%. A neutral color STOPV module is also demonstrated with 1.7 ± 0.1% and International Commission on Illumination (CIE) LAB coordinates of (L*, a*, b*) = (53.7, -1.9, -3.9).

14 SOLAR ENERGY↗
DOE OSTI2024

Single-source pulsed laser-deposited perovskite solar cells with enhanced performance via bulk and 2D passivation

Single-source vapor deposition of halide perovskites has, to date, remained challenging due to the dissimilar volatilities of the precursors, limiting the controlled transfer of multiple elements at once. Here, we demonstrate that pulsed laser deposition (PLD) addresses the rate-control challenges of single-source evaporation, enabling perovskite solar cells with power conversion efficiencies above 19% after passivation. Combining dry mechanochemical synthesis and PLD, we fabricated (Cl-passivated) MA1−xFAxPbI3 films from a single-source target. These films grow on hole-selective self-assembled monolayers, initially forming a thin PbI2-rich layer, which fully converts to perovskite. An oleylammonium iodide (OAmI) post-treatment is then applied to passivate the perovskite’s top surface by forming a 2D perovskite film. Incorporating PbCl2 in the target and applying OAmI-based 2D passivation results in a remarkable 19.7% efficiency for p-i-n perovskite solar cells with enhanced device stability. This highlights the appeal of PLD to fully unlock the potential of single-source vapor-deposited perovskites.

Soto-Montero, Tatiana↗
DOE OSTI2025

How non-ohmic contact-layer diodes in perovskite pinholes affect abrupt low-voltage reverse-bias breakdown and destruction of solar cells

Perovskite solar cells (PSCs) rapidly degrade under reverse bias, a condition that may occur during partial shading. Here, in this study, we use electrical measurements, electron microscopy, and optical and thermal imaging to investigate abrupt breakdown and hotspotting under low reverse potentials (<|-2| V). We show that microscopic pinholes in the perovskite layer cause rapid, destructive breakdown under reverse bias despite minimally reducing power conversion efficiencies. Measurements on miniature (200-micrometer diameter) PSCs and perovskite-free transport-layer diodes indicate that abrupt, low-voltage breakdown occurs in nanoscale to micrometer-scale defects and that metal migration and filamentation are unlikely causes. Reverse-bias stability substantially improves when pinholes in the perovskite and transport layers are eliminated. Atomic layer deposition of tin oxide prevents abrupt breakdown by ensuring physical separation between electrodes-not by blocking metal ion migration. Perovskite researchers should adopt cleaner, more uniform deposition techniques to enable robust PSCs for further research and commercial applications.

14 SOLAR ENERGY↗
DOE OSTI2019

Two-dimensional polythiophene homopolymer as promising hole transport material for high-performance perovskite solar cells

A polythiophene homopolymer with conjugated side chains (2D-PT) was applied as a hole transport material (HTM) of perovskite solar cells (PSCs). The all-conjugated two-dimensional structure effectively increases the ionization potential, realizing a high open-circuit voltage near 1 V for the 2D-PT-based PSC. Very interestingly, the two-dimensional wide-angle X-ray scattering measurements show that the 2D-PT molecules are self-assembled into ordered structure with a face-on dominant orientation and exhibit a hole mobility, which is ~1.6 times faster than that of poly(3-hexylthiophene) (P3HT). Consequently, the power conversion efficiency of PSC is noticeably increased by ~30% as 2D-PT replaces P3HT as HTM. Moreover, the densely packed 2D-PT slows down the moisture induced degradation of perovskite crystals, leading to a better environmental stability. As a result, this work demonstrates that two-dimensional non-donor-acceptor structural conjugated polymers can be utilized as promising HTM of PSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ultrarapid crystallization of low-dimensional perovskite with excellent stability for future high-throughput fabrication

We report perovskite solar cells (PSCs) as an emerging photovoltaic technique have achieved exceptional power conversion efficiency (PCE) up to 25.7% after fast development over the past decade. But currently some critical issues are still not well addressed in terms of realizing large-scale fabrication, for example, fast fabrication of high-quality perovskite film with good stability. Here, we demonstrate the use of stable and fast-crystallizing low-dimensional (LD) perovskite thin films as the light absorber with only a 10 s annealing time at 250 °C, delivering a PCE of 18.16%. The crystallization and photoelectric properties of LD perovskite are well illustrated. The reduction in the annealing time will dramatically increase the productivity of PSCs. The PSCs based on rapidly annealed LD perovskite thin films exhibit excellent stability, with only 12% loss of PCE after 1000 h storage at 85 °C and 40-70% relative humidity.

14 SOLAR ENERGY↗
DOE OSTI2017

Photovoltaic performance of Ag-doped CdS quantum dots for solar cell application

Graphical abstract: Photovoltaic performance of un-doped and Ag-doped CdS quantum dots were studied. The enhancement in photovoltaic performance might be due to the increase in carrier concentration and additional energy level creation due to Ag doping in FTO/TiO{sub 2}/Ag-doped CdS QDs solar cell. - Highlights: • Un-doped and Ag-doped CdS QDs were successfully deposited on TiO{sub 2}/FTO. • Optical response was found to be high for 3% Ag-doped CdS QDs. • The absorption edge for the 3% Ag-doped CdS was found to be 550 nm. • The highest power conversion efficiency was 1.25% for 3% Ag-doped CdS QDs. - Abstract: Un-doped and Ag-doped CdS quantum dots (QDs) were deposited on spin coated TiO{sub 2} photoanode material by Successive Ionic Layer Adsorption and Reaction (SILAR) method. Systematic investigations were carried out in the deposited un-doped and Ag-doped CdS QDs using powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FESEM) and UV–vis-NIR spectrum. Finally, the FTO/TiO{sub 2}/un-doped CdS and FTO/TiO{sub 2}/Ag-doped CdS QDs were successfully assembled to study the photovoltaic performance under standard one sun illumination of AM 1.5, 100 mW/cm{sup 2}. Photovoltaic parameters, such as short-circuit photocurrent density, open circuit voltage, fill factor and conversion efficiency were found to be 1.37 mA/cm{sup 2}, 0.72 V, 61.5% and 0.61% respectively, for un-doped CdS. Ag-doped CdS QDs shows enhanced photovoltaic parameters such as short-circuit photocurrent density, open circuit voltage, fill factor and conversion efficiency which were 2.35 mA cm{sup 2}, 0.74 V, 71.8% and 1.25% respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Optimization of sputtering NiOx films for perovskite solar cell applications

Highlights: • NiO{sub x} HTLs were fabricated by three kinds of magnetron sputtering techniques. • Chemical composition, lattice strain and energy levels of NiO{sub x} films were studied and compared. • PSCs based on sputtered NiO{sub x} HTL achieved highest PCE of 16.3% with negligible hysteresis. • Compared with PEDOT:PSS HTL, PSCs based on NiO{sub x} HTL exhibited enhanced stability in air. - Abstract: In this work, we systematically investigated the properties of three kinds of NiO{sub x} films prepared by magnetron sputtering either NiO or Ni target under direct current (DC) or radio frequency (RF) power without any preheating. Those NiO{sub x} films were found to be different in composition ratios, lattice strain and energy levels, thus showing different optical and carrier transport properties. By RF power source, sputtering Ni target in pure O{sub 2} atmosphere led to NiO{sub x} film with relatively good crystallization and surface properties compared with other two types of NiO{sub x} films. These NiO{sub x} films were further introduced into CH{sub 3}NH{sub 3}PbI{sub 3} based planar p-i-n heterojunction perovskite solar cells (PSCs) as the hole transport layers (HTL). It is revealed that PSCs based on NiO{sub x} HTL prepared by sputtering Ni target in pure O{sub 2} atmosphere achieved a highest power conversion efficiency of 16.3% with negligible hysteresis. Compared with devices with PEDOT:PSS HTL, PSCs based on magnetron sputtered NiO{sub x} HTL presented substantially improved stability in air. The results provide theoretical and experimental guidance on selecting NiO{sub x} HTLs fabricated by magnetron sputtering techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Upconversion Er-doped TiO2 nanorod arrays for perovskite solar cells and the performance improvement

Highlights: • Er-doped TiO{sub 2} nanorod absorbs IR and converts into visible light. • The introduction of Er could make a positive shift in flat-band potential. • Er-doped TiO{sub 2} solar cells show a 20% increment in the current density. - Abstract: Upconversion erbium-doped rutile TiO{sub 2} nanorod arrays were synthesized by a facile process and applied in perovskite solar cells (PSCs). The structure was characterized by X-ray powder diffraction (XRD). Energy dispersive spectrometer (EDS) and Tauc plot indicated that Er was successfully introduced and changed TiO{sub 2} band gap from 3.00 eV to 3.07 eV. The incorporation of Er shifts the flat band potential positively and enhances the electron density. The Er-doped TiO{sub 2} nanorods have a broad absorption in the infrared light and up-convert it into visible light, which provides a possibility for PSCs to use NIR light for higher performance. A higher photocurrent density (J{sub sc}) of 22.97 mA/cm{sup 2} and a power conversion efficiency (PCE) of 10.6% were obtained, showing 20% and 16.5% increment in J{sub sc} and PCE, respectively, when compared with the un-doped device. The performance improvement was ascribed to the upconversion performance, enhanced electron-injection efficiency and reduced charge recombination.

14 SOLAR ENERGY↗
DOE OSTI2020

Fabrication of flexible perovskite solar cells via rapid thermal annealing

Adaptability, lightweight, and low cost of materials make flexible perovskite solar cells essential for the perovskite technology to breach commercial photovoltaic markets. Roll-to-roll manufacturing has great potential for high-throughput perovskite manufacturing; however, conventional annealing methods are not capable of producing flexible perovskite solar cells at scale. Conventional methods are time consuming and may compromise functionality of flexible substrates under tension. Here, we introduce a bladecoated perovskite thin film on flexible ITO-coated PET annealed via rapid thermal annealing (RTA) that reduces post-deposition processing time from ~150 s to ~14 s. As a result, performance was not sacrificed for scalability as a perovskite solar cell was produced with a power conversion efficiency (PCE) of 14.58%.

14 SOLAR ENERGY↗