Results for “guidelines” — Page 77

NASA NTRSDate not supplied

Acquisition of and Access to Research Omics Data

Omics data are essential for understanding the myriad and complex effects of space environments on humans. To assure maximum benefit from these kinds of data, the NASA Human Research Program Data Management Plan stipulates that human omics data should be archived within and accessed through the NASA Life Sciences Portal (NLSP). The NLSP has the capability to acquire and provision access to omics (and other kinds of) research results for individual and ad-hoc groups of subjects at the direction of institutional review boards, or other authorizing bodies or individuals, per institutional, program and investigation-specific policies and procedures. However, because some single-subject omics data, like CT scans and other kinds of large, complex biomedical data, could be used to identify heretofore unknown risks to the subject’s health, or, in certain cases, be used to identify a subject, NASA Policy Directive 7170.1 describes various policies regarding the management of and access to “research genetic testing” data, which includes many kinds of omics data. For example, NPD 7170.1 prohibits access to human research genetic data by NASA personnel who make employment decisions for the subjects from whom the data were obtained. To meet the objective of acquiring research omics data for NLSP in compliance with the policies in NPD 7170.1 and other applicable NASA policies, we designed NOMADS (the NLSP Omics Multimodal Acquisition of Data System), a new component that supports the transfer of large research data files, including research genetic testing data, using one of several different transfer mechanisms. The choice of mechanism is made by the submitter of the data, with guiding information from the system, and is likely to often be determined in large part by the nature and source location of the data. For example, for small files where the source data files are not already stored in a cloud storage system, users are likely to prefer to transfer their data to the NLSP via a web browser. Conversely, for large sets of files already organized and stored in a cloud storage system, users may opt for NOMAD’s cloud-to-cloud transfer method. All omics datasets targeted for the NASA Life Sciences Data Archive must pass a variety of quality checks to ensure data integrity and adherence to the standards defined by the LSDA Data Submission Guidelines (DSG) (see https://nlsp.nasa.gov/explore/lsdahome/datasubmit). These include requirements that data are consistent with open standards established by the omics community. Non-compliant data will not be accepted however archivists are available to advise submitters on how to revise data submissions and re-submit until compliance is achieved. Following compliance with the LSDA DSG, omics data next undergo a variety of additional quality checks to ensure the data meet omics community standards. Domain specific Omics data quality control tools and techniques are continually evolving and linked to the advancements in omics assays utilized and thus, the tools and techniques utilized by the LSDA for data quality control and validation will need to be sustained accordingly. All human omics data will be access controlled according to the policies described above, and requiring IRB approval for any additional access grants once the data are acquired (including access for analysis using the NLSP workspace tools).

Omics↗

NASA NTRS2024

Acquisition of and Access to Research Omics Data

Omics data are essential for understanding the myriad and complex effects of space environments on humans. To assure maximum benefit from these kinds of data, the NASA Human Research Program Data Management Plan stipulates that human omics data should be archived within and accessed through the NASA Life Sciences Portal (NLSP). The NLSP has the capability to acquire and provision access to omics (and other kinds of) research results for individual and ad-hoc groups of subjects at the direction of institutional review boards, or other authorizing bodies or individuals, per institutional, program and investigation-specific policies and procedures. However, because some single-subject omics data, like CT scans and other kinds of large, complex biomedical data, could be used to identify heretofore unknown risks to the subject’s health, or, in certain cases, be used to identify a subject, NASA Policy Directive 7170.1 describes various policies regarding the management of and access to “research genetic testing” data, which includes many kinds of omics data. For example, NPD 7170.1 prohibits access to human research genetic data by NASA personnel who make employment decisions for the subjects from whom the data were obtained. To meet the objective of acquiring research omics data for NLSP in compliance with the policies in NPD 7170.1 and other applicable NASA policies, we designed NOMADS (the NLSP Omics Multimodal Acquisition of Data System), a new component that supports the transfer of large research data files, including research genetic testing data, using one of several different transfer mechanisms. The choice of mechanism is made by the submitter of the data, with guiding information from the system, and is likely to often be determined in large part by the nature and source location of the data. For example, for small files where the source data files are not already stored in a cloud storage system, users are likely to prefer to transfer their data to the NLSP via a web browser. Conversely, for large sets of files already organized and stored in a cloud storage system, users may opt for NOMAD’s cloud-to-cloud transfer method. All omics datasets targeted for the NASA Life Sciences Data Archive must pass a variety of quality checks to ensure data integrity and adherence to the standards defined by the LSDA Data Submission Guidelines (DSG) (see https://nlsp.nasa.gov/explore/lsdahome/datasubmit). These include requirements that data are consistent with open standards established by the omics community. Non-compliant data will not be accepted however archivists are available to advise submitters on how to revise data submissions and re-submit until compliance is achieved. Following compliance with the LSDA DSG, omics data next undergo a variety of additional quality checks to ensure the data meet omics community standards. Domain specific Omics data quality control tools and techniques are continually evolving and linked to the advancements in omics assays utilized and thus, the tools and techniques utilized by the LSDA for data quality control and validation will need to be sustained accordingly. All human omics data will be access controlled according to the policies described above, and requiring IRB approval for any additional access grants once the data are acquired (including access for analysis using the NLSP workspace tools).

Omics↗

DOE OSTI2014

Building America Case Study: Community-Scale Energy Modeling (Fact Sheet)

IBACOS analyzed pre-retrofit daily utility data to sort homes by energy consumption, allowing for better targeting of homes for physical audits. Following ASHRAE Guideline 14 normalization procedures, electricity consumption of 1,166 all electric production-built homes' was modeled. The homes were in two communities--one built in the 1970s and the other in the mid-2000s.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Existing Whole-House Solutions Case Study: Community-Scale Energy Modeling - Southeastern United States

Community-scale energy modeling and testing are useful for determining energy conservation measures that will effectively reduce energy use. To that end, IBACOS analyzed pre-retrofit daily utility data to sort homes by energy consumption, allowing for better targeting of homes for physical audits. Following ASHRAE Guideline 14 normalization procedures, electricity consumption of 1,166 all-electric, production-built homes was modeled. The homes were in two communities: one built in the 1970s and the other in the mid-2000s.

ASHRAE GUIDELINE 14↗

DOE OSTI2020

Energy Savings and Usability of Zero-Client Computing in Office Settings

The U.S. Department of Energy (DOE) and the National Institute of Building Sciences (NIBS) worked with industry stakeholders to develop voluntary national guidelines to improve the quality and consistency of commercial building workforce credentials for four key energy-efficiency related jobs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

The DG03: An Outline of Suggested Changes

The Design Guideline 03 (DG03) published by the National Renewable Energy Laboratory in 2009 is widely used in the wind industry. It allows engineers to get acquainted with design aspects and methodologies to determine pitch and yaw bearing static capacity and fatigue life. The combination of the detailed theoretical descriptions and practical examples makes it a highly application-oriented document. Since its publication, the knowledge about oscillating bearings, slewing bearings, and wind turbines has grown significantly. Some aspects of the DG03 need updates to reflect the current state of the art. This work covers proposed changes for an upcoming revision of DG03.

design guideline↗

DOE OSTI2024

Optimal Stopping Ages for Colorectal Cancer Screening

Importance Prior studies have shown that the benefits, harms, and costs of colorectal cancer (CRC) screening at older ages are associated with a patient’s sex, health, and screening history. However, these studies were hypothetical exercises and not directly informed by data on CRC risk. Objective To identify the optimal stopping ages for CRC screening by sex, comorbidity, and screening history from a cost-effectiveness perspective. Design, Setting, and Participants This economic evaluation first validated the MISCAN-Colon (Microsimulation Screening Analysis–Colon) model against community-based CRC incidence and mortality rates for 2 subcohorts of the PRECISE (Optimizing Colorectal Cancer Screening Precision and Outcomes in Community-Based Populations) cohort. Subsequently, different CRC screening scenarios were simulated in older individuals. Cohorts of US adults aged 76 to 90 years varied by sex and comorbidity status (none, low, moderate, or severe). Statistical and sensitivity analyses were performed from March 2023 to May 2024. Exposures CRC screening histories including fecal immunochemical test (FIT) or colonoscopy, such as a negative colonoscopy result from 10, 15, 20, 25, or 30 years before the index age; 1 to 5 negative FIT results within 5 years of the index age, with different patterns of recency; or a combination of negative colonoscopy and negative FIT results. Main Outcomes and Measures The main outcomes included estimated lifetime clinical outcomes, incremental costs, and quality-adjusted life-years gained (QALYG) associated with 1 additional FIT or colonoscopy. Optimal stopping age for screening, defined as the oldest age for which the incremental cost-effectiveness ratio was still below the willingness-to-pay threshold of $\$$100 000 per QALYG, was evaluated. Results The first of the 2 PRECISE subcohorts used in validating the simulation model included 25 974 adults (15 060 females [58.0%]; 54.7% aged 76 to 80 years) with a negative colonoscopy result 10 years before the index date. The second subcohort consisted of 118 269 adults (67 058 females [56.7%]; 90.5% aged 76 to 80 years) with a negative FIT result 1 year before the index date. Older age, male sex, higher comorbidity levels, and recent CRC screenings were associated with reduced incremental benefit and cost-effectiveness of additional screening. For the reference cohort of 76-year-old females without comorbidities and a negative colonoscopy result 10 years before the index age, 1 additional colonoscopy cost $\$$38 226 per QALYG. For cohorts with otherwise equivalent characteristics, associated costs increased to $\$$1 689 945 per QALYG for females at age 90 years without comorbidities and a negative colonoscopy results 10 years before the index age, $\$$51 604 per QALYG for males at age 76 years without comorbidities and a negative colonoscopy result 10 years before the index age, and $\$$108 480 per QALYG for females at age 76 years with severe comorbidities and a negative colonoscopy result 10 years before the index age and decreased to $\$$16 870 per QALYG for females without comorbidities and a negative colonoscopy result 30 years before the index age. The optimal stopping ages across different cohorts ranged from younger than 76 to 86 years for colonoscopy and younger than 76 to 88 years for FIT. Conclusions and Relevance In this economic evaluation, age, sex, screening history, comorbidity, and future screening modality were associated with the clinical outcomes, cost-effectiveness, and optimal stopping age for CRC screening. These results can inform guideline development and patient-directed informed decision-making.

Harlass, Matthias [Erasmus Erasmus University Medi↗

DOE OSTI2015

Explicitly representing soil microbial processes in Earth system models: Soil microbes in earth system models

Microbes influence soil organic matter (SOM) decomposition and the long-term stabilization of carbon (C) in soils. Herein, we contend that by revising the representation of microbial processes and their interactions with the physicochemical soil environment, Earth system models (ESMs) may make more realistic global C cycle projections. Explicit representation of microbial processes presents considerable challenges due to the scale at which these processes occur. Thus, applying microbial theory in ESMs requires a framework to link micro-scale process-level understanding and measurements to macro-scale models used to make decadal- to century-long projections. Here, we review the diversity, advantages, and pitfalls of simulating soil biogeochemical cycles using microbial-explicit modeling approaches. We present a roadmap for how to begin building, applying, and evaluating reliable microbial-explicit model formulations that can be applied in ESMs. Drawing from experience with traditional decomposition models we suggest: (1) guidelines for common model parameters and output that can facilitate future model intercomparisons; (2) development of benchmarking and model-data integration frameworks that can be used to effectively guide, inform, and evaluate model parameterizations with data from well-curated repositories; and (3) the application of scaling methods to integrate microbial-explicit soil biogeochemistry modules within ESMs. With contributions across scientific disciplines, we feel this roadmap can advance our fundamental understanding of soil biogeochemical dynamics and more realistically project likely soil C response to environmental change at global scales.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Molecular Level Understanding of the Interactions Between Reaction Intermediates of Li–S Energy Storage Systems and Ether Solvents

The lithium–sulfur energy storage system has the potential to deliver high energy density for grid and transportation applications. Lithium polysulfides (LiPS) formed during the chemical transformation of elemental sulfur can be reactive toward commonly used ether solvents. In this chapter, using density functional theory calculations, we address kinetic and thermodynamic feasibilities of LiPS reactions with various ether molecules (linear and cyclic) and fluorine-substituted ether molecules to understand their long-term chemical stability as solvents or cosolvents. These a priori computations indicate that the most reactive intermediates that initiate a likely degradation reaction of ether solvent molecules are Li2S2, Li2S3, Li2S4, and S2 2−. The lowest computed activation barriers (ΔH ‡) for the CO bond cleavage of dimethoxy ethane (DME) by shorter chain polysulfides or sulfide anions are in the range of ∼27–35 kcal mol−1, suggesting extremely slow kinetics for a polysulfide-induced ether solvent degradation. Calculations are extended to nine more linear and cyclic ether solvent molecules including the glymes, tetrahydrofuran (THF), and dioxolane (DOL). Computations suggest that the solvent stability is higher for shorter chain linear ethers compared to longer chain linear ethers and cyclic ethers. In addition to the 10 ether solvent candidates, simulations were also performed to understand the kinetic stability of 16 fluorinated DME molecules – a model for fluorinated ether species. Computations show that the introduction of one or more CF bond(s) in linear ether molecules enables nucleophilic attack by the polysulfide species, especially toward the polar CF/CO bonds. The CO bond stability of the fluoroether molecule was also compromised by the presence of the highly electron-withdrawing “−F” functional group. In general, in this chapter, utilizing the predictive power of first principle simulations, the LiPS reactivity toward ether solvent molecules was simulated and likely reactions that cause degradation are discussed. These studies also provide guidelines for the design of electrolyte systems with longer term chemical stability.

Assary, Rajeev S.↗

DOE OSTI2017

Morphology of a Ternary Blend Solar Cell Based on Small Molecule:Conjugated Polymer:Fullerene Fabricated by Blade Coating

Abstract Here, conjugated polymer is added as third component to tune the solution viscosity, morphology, and function of small molecule (SM) based bulk‐heterojunction (BHJ) solar cells, which are fabricated using blade coating. Novel information about the effect of blade coating speed on the nanoscale morphology and function of ternary blend solar cells is provided. The crystal sizes increase with an increase of coating speed for both binary and ternary blends, while the addition of the third component tends to favor smaller SM crystal grains and improves the connectivity of SM crystals. Small angle neutron scattering experiments provide the first clear experimental evidence that the addition of the third component would significantly impact the fullerene phase separation, which is crucial for bimolecular recombination and charge transport. It shows that for both binary and ternary blends, the concentration and sizes of [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM) aggregates increase with an increase of coating speed, while addition of third component does not affect the volume fraction of PCBM aggregates but impacts the size of PCBM aggregates. It is demonstrated that the judicious selection of blade coating speed and addition of conjugated polymer optimize the morphology of SM‐BHJ, providing guidelines for high performance SM‐BHJs from roll‐to‐roll production.

Wu, Xiaomin↗

DOE OSTI2019

Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors

Abstract Characterizing the density of states (DOS) width accurately is critical in understanding the charge‐transport properties of organic semiconducting materials as broader DOS distributions lead to an inferior transport. From a morphological standpoint, the relative densities of ordered and disordered regions are known to affect charge‐transport properties in films; however, a comparison between molecular structures showing quantifiable ordered and disordered regions at an atomic level and its impact on DOS widths and charge‐transport properties has yet to be made. In this work, for the first time, the DOS distribution widths of two model conjugated polymer systems are characterized using three different techniques. A quantitative correlation between energetic disorder from band‐bending measurements and charge transport is established, providing direct experimental evidence that charge‐carrier mobility in disordered materials is compromised due to the relaxation of carriers into the tail states of the DOS. Distinction and quantification of ordered and disordered regions of thin films at an atomic level is achieved using solid‐state NMR spectroscopy. An ability to compare solid‐state film morphologies of organic semiconducting polymers to energetic disorder, and in turn charge transport, can provide useful guidelines for applications of organic conjugated polymers in pertinent devices.

Karki, Akchheta↗

DOE OSTI2019

Evidence for the Band-Edge Exciton of CuInS 2 Nanocrystals Enables Record Efficient Large-Area Luminescent Solar Concentrators

Ternary I-III-VI 2 nanocrystals (NCs), such as CuInS 2 , are receiving attention as heavy-metals-free materials for solar cells, luminescent solar concentrators (LSCs), LEDs, and bio-imaging. The origin of the optical properties of CuInS 2 NCs are however not fully understood. A recent theoretical model suggests that their characteristic Stokes-shifted and long-lived luminescence arises from the structure of the valence band (VB) and predicts distinctive optical behaviours in defect-free NCs: the quadratic dependence of the radiative decay rate and the Stokes shift on the NC radius. If confirmed, this would have crucial implications for LSCs as the solar spectral coverage ensured by low-bandgap NCs would be accompanied by increased re-absorption losses. Here, by studying stoichiometric CuInS 2 NCs, it is revealed for the first time the spectroscopic signatures predicted for the free band-edge exciton, thus supporting the VB-structure model. At very low temperatures, the NCs also show dark-state emission likely originating from enhanced electron-hole spin interaction. In this study, the impact of the observed optical behaviours on LSCs is evaluated by Monte Carlo ray-tracing simulations. Based on the emerging device design guidelines, optical-grade large-area (30×30 cm 2 ) LSCs with optical power efficiency (OPE) as high as 6.8% are fabricated, corresponding to the highest value reported to date for large-area devices.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Chemiresistors for the Real‐Time Wireless Detection of Anions

Abstract Reported is an electrical transduction platform for real‐time wireless anion sensing using single‐walled carbon nanotubes (SWCNTs) noncovalently functionalized with squaramide‐based anion binding selectors. Systematically studied are anion‐binding properties and efficiency of the electrical transduction of the functionalized SWCNT composites using the squaramide‐based selectors with two similar electron‐withdrawing groups, 3,5‐bis(trifluoromethyl)benzyl ( 1 ) and 3,5‐bis(trifluoromethyl)phenyl ( 2 ), which induce hydrogen‐bonding interaction with anions and deprotonation of a squaramide N–H proton upon addition of acetate (AcO − ), respectively. Charge transduction occurs with AcO − as a result of charge transfer from the deprotonated selector 2 , whereas less sensitive transduction is observed with selector 1 via hydrogen‐bonding interaction. These results provide guidelines to efficiently transduce the chemical interaction between selectors and anions to create resistive transduction with functionalized SWCNTs. Electron‐withdrawing groups adjacent to the squaramide as well as proximate cationic pyridyl groups, enhance the anion binding affinity and also lower the selector's p K a . The chemiresistive sensor arrays are readily integrated with a wireless sensing module and demonstrated real‐time sensing of multiple anions with a smartphone readout.

Choi, Seon‐Jin↗

DOE OSTI2020

Crystalline Mesoporous Complex Oxides: Porosity-Controlled Electromagnetic Response

A colloidal--amphiphile--templated growth is developed to synthesize mesoporous complex oxides with highly crystalline frameworks. Organosilane-containing colloidal templates can convert into thermally stable silica that prevents the overgrowth of crystalline grains and the collapse of the mesoporosity. Using ilmenite CoTiO 3 as an example, the high crystallinity and the extraordinary thermal stability of its mesoporosity are demonstrated at 800 °C for 48 h under air. This synthetic approach is general and applicable to a series of complex oxides that are not reported with mesoporosity and high crystallinity, such as NiTiO 3 , FeTiO 3 , ZnTiO 3 , Co 2 TiO 4 , Zn 2 TiO 4 , MgTi 2 O 5 , and FeTi 2 O 5 . Those novel materials make it possible to build up correlations between mesoscale porosity and surface-sensitive physicochemical properties, e.g., electromagnetic response. For mesoporous CoTiO 3 , there is a 3 K increase of its antiferromagnetic ordering temperature, compared with that of nonporous one. Lastly, this finding provides a general guideline to design mesoporous complex oxides that allow exploring their unique properties different from bulk materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A Difluoro‐Monobromo End Group Enables High‐Performance Polymer Acceptor and Efficient All‐Polymer Solar Cells Processable with Green Solvent under Ambient Condition

Abstract In this paper, a difluoro‐monobromo end group is designed and synthesized, which is then used to construct a novel polymer acceptor (named PY2F‐T) yielding high‐performance all‐polymer solar cells with 15.22% efficiency. The fluorination strategy can increase the intramolecular charge transfer and interchain packing of the previous PY‐T based acceptor, and significantly improve photon harvesting and charge mobility of the resulting polymer acceptor. In addition, detailed morphology investigations reveal that the PY2F‐T‐based blend shows smaller domain spacing and higher domain purity, which significantly suppress charge recombination as supported by time‐resolved techniques. These polymer properties enable simultaneously enhanced J SC and FF of the PY2F‐T‐based devices, eventually delivering device efficiencies of over 15%, significantly outperforming that of the devices based on the non‐fluorinated PY‐T polymer (13%). More importantly, the PY2F‐T‐based active layers can be processed under ambient conditions and still achieve a 14.37% efficiency. They can also be processed using non‐halogenated solvent o ‐xylene (no additive) and yield a decent performance of 13.05%. This work demonstrates the success of the fluorination strategy in the design of high‐performance polymer acceptors, which provide guidelines for developing new all‐PSCs with better efficiencies and stabilities for commercial applications.

Yu, Han↗

DOE OSTI2021

Enabling High-Performance NASICON-Based Solid-State Lithium Metal Batteries Towards Practical Conditions

Solid-state lithium metal batteries (SSLMBs) are promising next-generation high-energy rechargeable batteries. However, the practical energy densities of the reported SSLMBs have been significantly overstated due to the use of thick solid-state electrolytes, thick lithium (Li) anodes, and thin cathodes. Here, a high-performance NASICON-based SSLMB using a thin (60 µm) Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) electrolyte, ultrathin (36 µm) Li metal, and high-loading (8 mg cm -2 ) LiFePO 4 (LFP) cathode is reported. The thin and dense LAGP electrolyte prepared by hot-pressing exhibits a high Li ionic conductivity of 1 × 10 -3 S cm -1 at 80 °C. The assembled SSLMB can thus deliver an increased areal capacity of ≈1 mAh cm -2 at C/5 with a high capacity retention of ≈96% after 50 cycles under 80 °C. Furthermore, it is revealed by synchrotron X-ray absorption spectroscopy and in situ high-energy X-ray diffraction that the side reactions between LAGP electrolyte and LFP cathode are significantly suppressed, while rational surface protection is required for Ni-rich layered cathodes. This study provides valuable insights and guidelines for the development of high-energy SSLMBs towards practical conditions.

25 ENERGY STORAGE↗

DOE OSTI2022

Targeted Adjusting Molecular Arrangement in Organic Solar Cells via a Universal Solid Additive

The incorporation of solid additive has been considered as an effective strategy for developing organic photovoltaics with multi-components, which is independent of dynamics, playing unique roles in morphology adjustment. However, their complex working mechanisms involving specific chemical structures are selective to material systems, hence limiting their university and flexibility in application. Herein, an inert small-molecular compound naphtho[1,2-c:5,6-c′]bis[1,2,5]thiadiazole (NT) is introduced into the bulk-heterojunction blend as the solid additive, which can function with various material systems and solvents, depending on its simple π-conjugated structure and S⋯N interaction for adjusting molecular alignment. It is interesting to note that the introduced NT can not only improve device performance, but also simplify complicated pre- or post-processing methods, reduce impact from batch-to-batch differences, construct sufficient energy transfer channel as well as improve device stability. The resulting devices based on PTzBI-dF:Y6-BO system show an impressive power conversion efficiency of 17.4% with obviously enhanced T 80 lifetime of >1200 h. These findings provide useful guidelines for exploring potential universal solid additives benefitting toward commercial application.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Tuning the Intermolecular Electrostatic Interaction toward High-Efficiency and Low-Cost Organic Solar Cells

Organic solar cells (OSCs) have achieved much progress with rapidly increasing power conversion efficiencies (PCEs). It should be noted that the top-performance OSCs are generally consisted of active materials with complex chemical structures, resulting in high costs. Here, combining the material design and morphology control, high-efficiency OSCs are fabricated by a low-cost donor: acceptor blend. A completely non-fused electron acceptor named Tz is designed and synthesized via introducing thiazole units on both sides of a bithiophene core, which shows an outstanding PCE of 13.3% with a typical polythiophene donor. More importantly, optimization guidelines are presented to get excellent morphology for low-cost donor:acceptor systems. Three polythiophenes are selected, poly(3-hexylthiophene) and its two derivatives with electron-withdrawing substitutions (PDCBT and PDCBT-2F), as donors to fabricate the cell devices. The computational and experimental data reveal that decreasing the electrostatic interaction between polythiophene and Tz is the key to getting a suppressed miscibility and thus a high phase purity. Finally, this study provides insight into the molecular design and donor:acceptor matching requirements for high-efficiency and low-cost OSCs.

14 SOLAR ENERGY↗