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Results for “defect passivation”

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Diamine chelates for increased stability in mixed Sn–Pb and all-perovskite tandem solar cells

Perovskite tandem solar cells show promising performance but non-radiative recombination and its progressive worsening with time, especially in the mixed Sn–Pb low-bandgap layer, limit performance and stability. Here, in this study, we find that mixed Sn–Pb perovskite thin films exhibit a compositional gradient, with an excess of Sn on the surface – and we show this gradient exacerbates oxidation and increases the recombination rate. We find that diamines preferentially chelate Sn atoms, removing them from the film surface and achieving a more balanced Sn:Pb stoichiometry, making the surface of the film resistive to the oxidation of Sn. The process forms an electrically resistive low-dimensional barrier layer, passivating defects and reducing interface recombination. Further improving the homogeneity of the barrier layer using 1,2-diaminopropane results in more uniform distribution and passivation. Tandems achieve a power conversion efficiency of 28.8%. As a result, encapsulated tandems retain 90% of initial efficiency following 1000 hours of operating at the maximum power point under simulated one-sun illumination in air without cooling.

14 SOLAR ENERGY↗
DOE OSTI2024

Grain engineering for efficient near-infrared perovskite light-emitting diodes

Metal halide perovskites show promise for next-generation light-emitting diodes, particularly in the near-infrared range, where they outperform organic and quantum-dot counterparts. However, they still fall short of costly III-V semiconductor devices, which achieve external quantum efficiencies above 30% with high brightness. Among several factors, controlling grain growth and nanoscale morphology is crucial for further enhancing device performance. This study presents a grain engineering methodology that combines solvent engineering and heterostructure construction to improve light outcoupling efficiency and defect passivation. Solvent engineering enables precise control over grain size and distribution, increasing light outcoupling to ~40%. Constructing 2D/3D heterostructures with a conjugated cation reduces defect densities and accelerates radiative recombination. The resulting near-infrared perovskite light-emitting diodes achieve a peak external quantum efficiency of 31.4% and demonstrate a maximum brightness of 929 W sr -1 m -2 . These findings indicate that perovskite light-emitting diodes have potential as cost-effective, high-performance near-infrared light sources for practical applications.

42 ENGINEERING↗
DOE OSTI2022

(3-Aminopropyl)trimethoxysilane Surface Passivation Improves Perovskite Solar Cell Performance by Reducing Surface Recombination Velocity

We demonstrate reduced surface recombination velocity (SRV) and enhanced power-conversion efficiency (PCE) in mixed-cation mixed-halide perovskite solar cells by using (3-aminopropyl)trimethoxysilane (APTMS) as a surface passivator. We show the APTMS serves to passivate defects at the perovskite surface, while also decoupling the perovskite from detrimental interactions at the C 60 interface. We measure a SRV of ~125 ± 14 cm/s, and a concomitant increase of ~100 meV in quasi-Fermi level splitting in passivated devices compared to the controls. We use time-resolved photoluminescence and excitation-correlation photoluminescence spectroscopy to show that APTMS passivation effectively suppresses non-radiative recombination. We show that APTMS improves both the fill factor and open-circuit voltage (V OC ), increasing V OC from 1.03 V for control devices to 1.09 V for APTMS-passivated devices, and leads to a PCE increase from 15.90% to 18.03%. Here, we attribute the enhanced performance to reduced defect density resulting in suppressed nonradiative recombination and lower SRV at the perovskite/transport layer interface.

14 SOLAR ENERGY↗
DOE OSTI2014

The impact of oxygen incorporation during intrinsic ZnO sputtering on the performance of Cu(In,Ga)Se{sub 2} thin film solar cells

We investigated the impact of incorporating 2% oxygen during intrinsic ZnO sputtering on the efficiency of Cu(In,Ga)Se{sub 2} solar cells. The added oxygen not only reduced the optical absorption loss of the Al-doped ZnO overlaying layer but also improved the electronic properties of the underlying CdS/Cu(In,Ga)Se{sub 2} by increasing carrier density, lowering defect level, and increasing diffusion length, eventually enhancing J{sub SC}, V{sub OC}, and fill factor. It was found that the Na doping concentration was significantly increased around the CdS/Cu(In,Ga)Se{sub 2} junction due to the plasma-activated oxygen. The improved electronic properties are better explained by the increased Na concentration than simply the oxygen-related defect passivation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

InGaN/GaN QDs Nanorods: Processing and Properties

InGaN/GaN nanorod structure is presented for the fabrication of light-emitting diodes by means of plasma-chemical etching. Processes of the etching of nanorods and the defect passivation in a planar InGaN/GaN quantum dot heterostructure are studied. The obtained results allow creating the light-emitting diode nanostructure with a greater efficiency compared to the classical planar technology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Improving positive and negative bias illumination stress stability in parylene passivated IGZO transistors

The impact of a parylene top-coating layer on the illumination and bias stress instabilities of indium-gallium-zinc oxide thin-film transistors (TFTs) is presented and discussed. The parylene coating substantially reduces the threshold voltage shift caused by continuous application of a gate bias and light exposure. The operational stability improves by 75%, and the light induced instability is reduced by 35%. The operational stability is quantified by fitting the threshold voltage shift with a stretched exponential model. Storage time as long as 7 months does not cause any measurable degradation on the electrical performance. It is proposed that parylene plays not only the role of an encapsulation layer but also of a defect passivation on the top semiconductor surface. It is also reported that depletion-mode TFTs are less sensitive to light induced instabilities. This is attributed to a defect neutralization process in the presence of free electrons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Influence of the formation- and passivation rate of boron-oxygen defects for mitigating carrier-induced degradation in silicon within a hydrogen-based model

A three-state model is used to explore the influence of defect formation- and passivation rates of carrier-induced degradation related to boron-oxygen complexes in boron-doped p-type silicon solar cells within a hydrogen-based model. The model highlights that the inability to effectively mitigate carrier-induced degradation at elevated temperatures in previous studies is due to the limited availability of defects for hydrogen passivation, rather than being limited by the defect passivation rate. An acceleration of the defect formation rate is also observed to increase both the effectiveness and speed of carrier-induced degradation mitigation, whereas increases in the passivation rate do not lead to a substantial acceleration of the hydrogen passivation process. For high-throughput mitigation of such carrier-induced degradation on finished solar cell devices, two key factors were found to be required, high-injection conditions (such as by using high intensity illumination) to enable an acceleration of defect formation whilst simultaneously enabling a rapid passivation of the formed defects, and a high temperature to accelerate both defect formation and defect passivation whilst still ensuring an effective mitigation of carrier-induced degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial for charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Lastly, our findings suggest that postsynthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Arylammonium-Assisted Reduction of the Open-Circuit Voltage Deficit in Wide-Bandgap Perovskite Solar Cells: The Role of Suppressed Ion Migration

Surface treatment using large alkyl/aryl ammonium cations has demonstrated reduced open-circuit voltage (V OC ) deficits in perovskite solar cells (PSCs), but the origin of the improvements has been vaguely attributed to defect passivation. Here, we combine the microscopic probing of the local electrical properties, thermal admittance spectroscopic analysis, and first principles calculations to elucidate the critical role of arylammonium interface layers on suppressing the ion migration in wide-bandgap (WBG) PSCs. Our results reveal that arylammonium surface treatment using phenethylammonium iodide increases the activation energy barrier for ion migration on the surface, which suppresses the accumulation of charge defects at surface and grain boundaries (GBs), leading to reduced dark saturation current density in WBG PSCs. Furthermore, with device optimization, our champion 1.73-eV PSC delivers a power conversion efficiency of 19.07% with a V OC of 1.25 V, achieving a V OC -deficit of 0.48 V.

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

Progress and Challenges in Absorber and Interface Fabrication of Polycrystalline CdTe Photovoltaics

Polycrystalline thin-film CdTe device efficiency of over 19% has been achieved at Colorado State University using a highly repeatable and scalable sublimation process. Record efficiency for research scale CdTe photovoltaics has been reported to be over 22% and highest reported module efficiency is over 18% by First Solar Inc. Use of Se alloying with CdTe to form a lower band-gap CdSexTe1-x (CST) alloy has led to higher devices efficiencies with better current collection. Recent materials characterization has revealed that Se may be responsible for more than just reduction of band-gap. With CdCl2 treatment Cl is known to very effectively passivate defects at CdTe grain boundaries. Recent materials and electrical characterization have shown that Se has a very similar behavior to Cl at the grain boundaries of polycrystalline CdTe. These include Se decorating the grain boundaries like Cl in the diffusion region between CST and CdTe while cross-section cathodoluminescence maps show substantially higher signal intensity in regions with Se. Double heterostructures fabricated using CdSeTe with Al2O3 as a passivating oxide have been measured to have several hundred nanosecond bulk recombination lifetime. These films were also measured to have surface recombination velocity of under 100 cm/s. These results among others emphasis that Se also helps in passivation of grain boundaries. High absorber quality may help in mitigating the voltage deficit that has traditionally been the largest limiting factor in CdTe photovoltaics in achieving efficiency closer to Shockley-Queisser limit. In addition to graded absorber devices and double heterostructures, replacing the traditional Cu doping with more advanced group V doping is an important research effort that maybe critical for future improvements in device efficiency. Nitrogen, Phosphorous, Arsenic and Antimony doping has been investigated by several research groups. Advanced co-sublimation hardware developed at Colorado State University provides researchers with a unique capability of depositing films for group V doping with Cd overpressure. Such deposition under Cd overpressure causes formation of CdV which is known to be favorable for incorporation of group V dopant and activation. Utilizing the high absorber and interface quality material and higher doping, efforts are in progress to fabricate polycrystalline devices with open-circuit voltage over 1V and device efficiency over 24%.

Munshi, Amit↗
DOE OSTI2018

A Study on Passive and Electrochemical Response of Pure Nickel in Borate Buffer Solutions: Effect of Cold Deformation

In the present work, influences of the cold deformation on electrochemical and passive response of pure nickel in three solutions with adjusted pH values of 8.5, 9.0, and 9.5 at 298 ± 1 K (25 ± 1 °C) were investigated. A cold deformation process was applied by means of cold rolling. Implementation of the cold deformation process resulted in samples having a finer microstructure. Also, the cold work and grain refinement led to increased hardness. In addition, open-circuit potential and potentiodynamic polarization tests were performed and results showed that corrosion current density was reduced by applying the cold deformation. Moreover, the results of the electrochemical impedance spectroscopy and Mott–Schottky analyses indicated higher corrosion resistance of pure nickel after cold deformation. This behavior is attributed to the growth of much thicker, with less point defects, passive layer on the surface of cold-deformed samples.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Chemistry of Ionic Silver and Implications for Design of Potable Water Systems

Ionic silver (Ag+) at approximately 400 µg/L is proposed as an ingestible biocide for potable water systems in future human spacecraft. This paper investigates the underlying chemistry of the silver ion at potable concentrations and its interactions with other solutes and surfaces. This chemistry evaluation will elucidate ionic silver behavior in potable water systems and enable design optimization to minimize ionic silver depletion during long duration crewed and uncrewed segments of missions. Ionic silver can be lost from the water phase to the water-solid interface via adsorption as the cation and oxidation-reduction reactions with passivation defects. The adsorption and oxidation-reduction reactions of heritage piping materials used on spacecraft – stainless steel 316L, titanium, Inconel 718, and Teflon flex hoses – are considered. Conceptual models of adsorption isotherms and pH adsorption edges are applied to understand the role of pH and the surface-to-volume ratio of pipes and tanks on the partitioning of ionic silver between the aqueous and the solid phase during aging. The effect of repeated exposure-aging to an Ag+ containing solution of two passivated alloys (316L and Inconel 718) is evaluated to determine if an equilibrium concentration of ionic silver in the potable range is attainable for a given alloy and surface-to-volume ratio. Aging unpassivated and passivated 316L reduced the ionic silver depletion rate relative to first time exposures, but the same beneficial effect was not observed for Inconel 718.

Water↗
DOE OSTI2018

Hydrogen passivation of poly-Si/SiO x contacts for Si solar cells using Al 2 O 3 studied with deuterium

Here, the interplay between hydrogenation and passivation of poly-Si/SiO x contacts to n-type Si wafers is studied using atomic layer deposited Al 2 O 3 and anneals in forming gas and nitrogen. The poly-Si/SiO x stacks are prepared by thermal oxidation followed by thermal crystallization of a-Si:H films deposited by plasma-enhanced chemical vapor deposition. Implied open-circuit voltages as high as 710 mV are achieved for p-type poly-Si/SiO x contacts to n-type Si after hydrogenation. Correlating minority carrier lifetime data and secondary ion mass spectrometry profiles reveals that the main benefit of Al 2 O 3 is derived from its role as a hydrogen source for chemically passivating defects at SiO x ; Al 2 O 3 layers are found to hydrogenate poly-Si/SiO x much better than a forming gas anneal. By labelling Al 2 O 3 and the subsequent anneal with different hydrogen isotopes, it is found that Al 2 O 3 exchanges most of its hydrogen with the ambient upon annealing at 400 °C for 1 h even though there is no significant net change in its total hydrogen content.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Poly(ethylene oxide)-assisted energy funneling for efficient perovskite light emission

Poly(ethylene oxide) (PEO) has been demonstrated as an effective polymer additive for fabrication of organic–inorganic hybrid perovskite light emitting devices due to its properties enabling pinhole-free film morphology, improved charge injection, and defect passivation. In this paper, we report a new aspect of PEO in assisting the energy funneling in formamidinium lead bromide (FAPbBr 3 ) thin films, leading to a very high photoluminescence quantum yield of ~62.1%. By mixing PEO with FAPbBr 3 at a desired ratio, self-assembled 3D polycrystals with sizes from ~20 to ~1500 nm were formed. The polycrystals contain inhomogeneous domains with a range of energetic excited states. Through fluorescence lifetime image microscopy, the in situ fluorescence emissions and the lifetimes of the domains were measured simultaneously, indicating energy funneling from the wide-bandgap domains (with small-size grains) into the narrow-bandgap domains (with large-size grains). PL spectroscopy on the nano-second scale was used to study the dynamics of charge transfer, which shows a reduced short-wavelength emission and narrowed full width at half maximum with increasing time. Our results also indicate that the optimal PEO doping ratio of 0.35 :1 can facilitate the most efficient charge carrier cascade for energy funneling. Furthermore, this study establishes the role of PEO-assisted energy funneling avoiding the defect-quenching effect in perovskites, for potential applications in perovskite LEDs and lasers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Colossal Grains for a New Structural Paradigm in Thin-Film Photovoltaics

II-VI based thin-film photovoltaics (PV) have experienced substantial commercial success on a foundation of fast large-scale deposition and processing. This type of processing, regardless of material type, nearly always results in small grain (nm to several um diameters) polycrystalline material that, if not for effective grain boundary (GB) and defect passivation, would severely limit PV performance. In the case of CdTe based PV technology, the nearly ubiquitous CdCl2 treatment is used, in part, to passivate the polycrystalline p-type absorber even though Cl is known to (and used to) compensate p-type II-VI materials. Given that VOC is still the most limited performance metric and it can only be improved through higher p-type absorber concentrations, CdCl2 treatments may be holding the technology back. In this talk, we will discuss results related to a process by which small grain CdSeTe material is rapidly transformed into very large grain material (100-1000um diameters, Fig. 1a). This explosive recrystallization, which we have termed colossal grain growth (CGG), occurs by a Cl free process with thin films (<10um) deposited using the same fast deposition techniques the industry has relied on for more than a decade. Our modeling suggests that GB recombination becomes significantly less important at these grain sizes and thus may eliminate the need for a CdCl2 treatment. This result is complimented by previous results of epitaxial growth at high rates on single crystal seed layers. Thin CdSeTe CGG seed layers can be used for rapid epitaxy of CdTe to complete a standard device stack (Fig.1b). This is an optimistic view and the current limitations and challenges related to this process and these materials will also be discussed, including alloy and substrate roughness sensitivity, intragrain material quality, and complex defect chemistry. These challenges are not insignificant but overcoming them may enable a new structural paradigm for thin-film PV.

CdTe↗
DOE OSTI2023

Enhancing Crystallization in Hybrid Perovskite Solar Cells Using Thermally Conductive 2D Boron Nitride Nanosheet Additive

Controlling crystallization and grain growth is crucial for realizing highly efficient hybrid perovskite solar cells (PSCs). In this work, enhanced PSC photovoltaic performance and stability by accelerating perovskite crystallization and grain growth via 2D hexagonal boron nitride (hBN) nanosheet additives incorporated into the active perovskite layer are demonstrated. Specifically, in situ X-ray scattering and infrared thermal imaging during the perovskite annealing process revealed the highly thermally conductive hBN nanosheets promoted the phase conversion and grain growth in the perovskite layer by facilitating a more rapid and spatially uniform temperature rise within the perovskite film. Complementary structural, physicochemical, and electrical characterizations further showed that the hBN nanosheets formed a physical barrier at the perovskite grain boundaries and the interfaces with charge transport layers, passivating defects, and retarding ion migration. As a result, the power conversion efficiency of the PSC is improved from 17.4% to 19.8%, along with enhanced device stability, retaining ≈90% of the initial efficiency even after 500 h ambient air storage. Here, the results not only highlight 2D hBN as an effective additive for PSCs but also suggest enhanced thermal transport as one of the pathways for improved PSC performance by 2D material additives in general.

2D materials↗
DOE OSTI2024

A Pyrrole Modified 3,4‐Propylenedioxythiophene Conjugated Polymer as Hole Transport Layer for Efficient and Stable Perovskite Solar Cells

Despite the outstanding electric properties and cost-effectiveness of poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene-based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole-modified HTL (PPr) based on 3,4-propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs. As a result of the superior defects passivation ability, excellent contact with perovskite, enhanced hole extraction, and high hydrophobicity, the unencapsulated PPr-based PSCs showed the peak PCE of 21.49% and outstanding moisture stability (over 4000 h). This work highlights the potential application of ProDOT-based materials as HTL for PSCs and underscores the importance of the rational design of PEDOT and its derivatives.

14 SOLAR ENERGY↗
DOE OSTI2025

Deuterium-substituted cations enhance perovskite solar cell efficiency and stability

Halide perovskite solar cells with mixed-cation compositions often face instabilities under continuous illumination due to the deprotonation of methylammonium (CH 3 NH 3 + , MA + ) cations. Here, to address this, we systematically evaluate the partial and complete deuteration of MA + cations. This approach inhibits deprotonation and degradation, reduces the formation energy of the perovskite phase, improves grain growth, passivates defects, and restrains ion migration. As a result, perovskite solar cells incorporating this deuteration strategy achieve exceptional performance, including a high fill factor (FF) of 82.6% and a power conversion efficiency (PCE) of 25.6%. Their modules with a device area of 56 cm 2 demonstrate remarkable stability, maintaining over 93.7% of their initial PCE after 1,000 h at the maximum power point under continuous illumination at 40°C. This novel deuteration strategy presents a promising approach to enhance both the efficiency and stability of perovskite solar cells.

14 SOLAR ENERGY↗