Moussab/ORKG-training-evaluation-set huggingface dataset:
Research field: Materials Chemistry
Title: Side-Chain Isomerization on an n-type Organic Semiconductor ITIC Acceptor Makes 11.77% High Efficiency Polymer Solar Cells
Abstract: Low bandgap n-type organic semiconductor (n-OS) ITIC has attracted great attention for the application as an acceptor with medium bandgap p-type conjugated polymer as donor in nonfullerene polymer solar cells (PSCs) because of its attractive photovoltaic performance. Here we report a modification on the molecular structure of ITIC by side-chain isomerization with meta-alkyl-phenyl substitution, m-ITIC, to further improve its photovoltaic performance. In a comparison with its isomeric counterpart ITIC with para-alkyl-phenyl substitution, m-ITIC shows a higher film absorption coefficient, a larger crystalline coherence, and higher electron mobility. These inherent advantages of m-ITIC resulted in a higher power conversion efficiency (PCE) of 11.77% for the nonfullerene PSCs with m-ITIC as acceptor and a medium bandgap polymer J61 as donor, which is significantly improved over that (10.57%) of the corresponding devices with ITIC as acceptor. To the best of our knowledge, the PCE of 11.77% is one of the highest values reported in the literature to date for nonfullerene PSCs. More importantly, the m-ITIC-based device shows less thickness-dependent photovoltaic behavior than ITIC-based devices in the active-layer thickness range of 80-360 nm, which is beneficial for large area device fabrication. These results indicate that m-ITIC is a promising low bandgap n-OS for the application as an acceptor in PSCs, and the side-chain isomerization could be an easy and convenient way to further improve the photovoltaic performance of the donor and acceptor materials for high efficiency PSCs.
Extracted statement — Donor: J61
Research field: Materials Chemistry
Title: A near-infrared non-fullerene electron acceptor for high performance polymer solar cells
Abstract: Low-bandgap polymers/molecules are an interesting family of semiconductor materials, and have enabled many recent exciting breakthroughs in the field of organic electronics, especially for organic photovoltaics (OPVs). Here, such a low-bandgap (1.43 eV) non-fullerene electron acceptor (BT-IC) bearing a fused 7-heterocyclic ring with absorption edge extending to the near-infrared (NIR) region was specially designed and synthesized. Benefitted from its NIR light harvesting, high performance OPVs were fabricated with medium bandgap polymers (J61 and J71) as donors, showing power conversion efficiencies of 9.6% with J61 and 10.5% with J71 along with extremely low energy loss (0.56 eV for J61 and 0.53 eV for J71). Interestingly, femtosecond transient absorption spectroscopy studies on both systems show that efficient charge generation was observed despite the fact that the highest occupied molecular orbital (HOMO)–HOMO offset (ΔEH) in the blends was as low as 0.10 eV, suggesting that such a small ΔEH is not a crucial limitation in realizing high performance of NIR non-fullerene based OPVs. Our results indicated that BT-IC is an interesting NIR non-fullerene acceptor with great potential application in tandem/multi-junction, semitransparent, and ternary blend solar cells.
Extracted statement — Donor: J71
Research field: Materials Chemistry
Title: Design, synthesis, and structural characterization of the first dithienocyclopentacarbazole-based n-type organic semiconductor and its application in non-fullerene polymer solar cells
Abstract: Ladder-type dithienocyclopentacarbazole (DTCC) cores, which possess highly extended π-conjugated backbones and versatile modular structures for derivatization, were widely used to develop high-performance p-type polymeric semiconductors. However, an n-type DTCC-based organic semiconductor has not been reported to date. In this study, the first DTCC-based n-type organic semiconductor (DTCC–IC) with a well-defined A–D–A backbone was designed, synthesized, and characterized, in which a DTCC derivative substituted by four p-octyloxyphenyl groups was used as the electron-donating core and two strongly electron-withdrawing 3-(dicyanomethylene)indan-1-one moieties were used as the terminal acceptors. It was found that DTCC–IC has strong light-capturing ability in the range of 500–720 nm and exhibits an impressively high molar absorption coefficient of 2.24 × 105 M−1 cm−1 at 669 nm owing to effective intramolecular charge transfer and a strong D–A effect. Cyclic voltammetry measurements indicated that the HOMO and LUMO energy levels of DTCC–IC are −5.50 and −3.87 eV, respectively. More importantly, a high electron mobility of 2.17 × 10−3 cm2 V−1 s−1 was determined by the space-charge-limited current method; this electron mobility can be comparable to that of fullerene derivative acceptors (μe ∼ 10−3 cm2 V−1 s−1). To investigate its application potential in non-fullerene solar cells, we fabricated organic solar cells (OSCs) by blending a DTCC–IC acceptor with a PTB7-Th donor under various conditions. The results suggest that the optimized device exhibits a maximum power conversion efficiency (PCE) of up to 6% and a rational high VOC of 0.95 V. These findings demonstrate that the ladder-type DTCC core is a promising building block for the development of high-mobility n-type organic semiconductors for OSCs.
Extracted statement — Donor: PTB7-Th
Research field: Materials Chemistry
Title: Dithienopicenocarbazole-Based Acceptors for Efficient Organic Solar Cells with Optoelectronic Response Over 1000 nm and an Extremely Low Energy Loss
Abstract: Two cheliform non-fullerene acceptors, DTPC-IC and DTPC-DFIC, based on a highly electron-rich core, dithienopicenocarbazole (DTPC), are synthesized, showing ultra-narrow bandgaps (as low as 1.21 eV). The two-dimensional nitrogen-containing conjugated DTPC possesses strong electron-donating capability, which induces intense intramolecular charge transfer and intermolecular π-π stacking in derived acceptors. The solar cell based on DTPC-DFIC and a spectrally complementary polymer donor, PTB7-Th, showed a high power conversion efficiency of 10.21% and an extremely low energy loss of 0.45 eV, which is the lowest among reported efficient OSCs.
Extracted statement — Donor: PTB7-Th
Research field: Materials Chemistry
Title: A near-infrared non-fullerene electron acceptor for high performance polymer solar cells
Abstract: Low-bandgap polymers/molecules are an interesting family of semiconductor materials, and have enabled many recent exciting breakthroughs in the field of organic electronics, especially for organic photovoltaics (OPVs). Here, such a low-bandgap (1.43 eV) non-fullerene electron acceptor (BT-IC) bearing a fused 7-heterocyclic ring with absorption edge extending to the near-infrared (NIR) region was specially designed and synthesized. Benefitted from its NIR light harvesting, high performance OPVs were fabricated with medium bandgap polymers (J61 and J71) as donors, showing power conversion efficiencies of 9.6% with J61 and 10.5% with J71 along with extremely low energy loss (0.56 eV for J61 and 0.53 eV for J71). Interestingly, femtosecond transient absorption spectroscopy studies on both systems show that efficient charge generation was observed despite the fact that the highest occupied molecular orbital (HOMO)–HOMO offset (ΔEH) in the blends was as low as 0.10 eV, suggesting that such a small ΔEH is not a crucial limitation in realizing high performance of NIR non-fullerene based OPVs. Our results indicated that BT-IC is an interesting NIR non-fullerene acceptor with great potential application in tandem/multi-junction, semitransparent, and ternary blend solar cells.
Extracted statement — Acceptor: BT-IC
Research field: Materials Chemistry
Title: N,S co-doped carbon dots as a stable bio-imaging probe for detection of intracellular temperature and tetracycline
Abstract: Stable bioimaging with nanomaterials in living cells has been a great challenge and of great importance for understanding intracellular events and elucidating various biological phenomena. Herein, we demonstrate that N,S co-doped carbon dots (N,S-CDs) produced by one-pot reflux treatment of C3N3S3 with ethane diamine at a relatively low temperature (80 °C) exhibit a high fluorescence quantum yield of about 30.4%, favorable biocompatibility, low-toxicity, strong resistance to photobleaching and good stability. The N,S-CDs as an effective temperature indicator exhibit good temperature-dependent fluorescence with a sensational linear response from 20 to 80 °C. In addition, the obtained N,S-CDs facilitate high selectivity detection of tetracycline (TC) with a detection limit as low as 3 × 10-10 M and a wide linear range from 1.39 × 10-5 to 1.39 × 10-9 M. More importantly, the N,S-CDs display an unambiguous bioimaging ability in the detection of intracellular temperature and TC with satisfactory results.
Extracted statement — precursors: C3N3S3
Research field: Materials Chemistry
Title: Fluorescent N-Doped Carbon Dots as in Vitro and in Vivo Nanothermometer
Abstract: The fluorescent N-doped carbon dots (N-CDs) obtained from C3N4 emit strong blue fluorescence, which is stable with different ionic strengths and time. The fluorescence intensity of N-CDs decreases with the temperature increasing, while it can recover to the initial one with the temperature decreasing. It is an accurate linear response of fluorescence intensity to temperature, which may be attributed to the synergistic effect of abundant oxygen-containing functional groups and hydrogen bonds. Further experiments also demonstrate that N-CDs can serve as effective in vitro and in vivo fluorescence-based nanothermometer.
Extracted statement — precursors: C3N4
Research field: Materials Chemistry
Title: Up-scalable and controllable electrolytic production of photo-responsive nanostructured silicon
Abstract: The electrochemical reduction of solid silica has been investigated in molten CaCl2 at 900 °C for the one-step, up-scalable, controllable and affordable production of nanostructured silicon with promising photo-responsive properties. Cyclic voltammetry of the metallic cavity electrode loaded with fine silica powder was performed to elaborate the electrochemical reduction mechanism. Potentiostatic electrolysis of porous and dense silica pellets was carried out at different potentials, focusing on the influences of the electrolysis potential and the microstructure of the precursory silica on the product purity and microstructure. The findings suggest a potential range between −0.60 and −0.95 V (vs. Ag/AgCl) for the production of nanostructured silicon with high purity (>99 wt%). According to the elucidated mechanism on the electro-growth of the silicon nanostructures, optimal process parameters for the controllable preparation of high-purity silicon nanoparticles and nanowires were identified. Scaling-up the optimal electrolysis was successful at the gram-scale for the preparation of high-purity silicon nanowires which exhibited promising photo-responsive properties.
Extracted statement — electrolyte: CaCl2
Research field: Materials Chemistry
Title: Dithienopicenocarbazole-Based Acceptors for Efficient Organic Solar Cells with Optoelectronic Response Over 1000 nm and an Extremely Low Energy Loss
Abstract: Two cheliform non-fullerene acceptors, DTPC-IC and DTPC-DFIC, based on a highly electron-rich core, dithienopicenocarbazole (DTPC), are synthesized, showing ultra-narrow bandgaps (as low as 1.21 eV). The two-dimensional nitrogen-containing conjugated DTPC possesses strong electron-donating capability, which induces intense intramolecular charge transfer and intermolecular π-π stacking in derived acceptors. The solar cell based on DTPC-DFIC and a spectrally complementary polymer donor, PTB7-Th, showed a high power conversion efficiency of 10.21% and an extremely low energy loss of 0.45 eV, which is the lowest among reported efficient OSCs.
Extracted statement — Acceptor: DTPC-DFIC
Research field: Materials Chemistry
Title: Non-fullerene polymer solar cells based on a selenophene-containing fused-ring acceptor with photovoltaic performance of 8.6%
Abstract: <p>In this work, we present a non-fullerene electron acceptor bearing a fused five-heterocyclic ring containing selenium atoms, denoted as IDSe-T-IC, for fullerene-free polymer solar cells (PSCs).</p>
Extracted statement — Acceptor: IDSe-T-IC
Research field: Materials Chemistry
Title: Naphthodithiophene‐Based Nonfullerene Acceptor for High‐Performance Organic Photovoltaics: Effect of Extended Conjugation
Abstract: Naphtho[1,2‐b:5,6‐b′]dithiophene is extended to a fused octacyclic building block, which is end capped by strong electron‐withdrawing 2‐(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile to yield a fused‐ring electron acceptor (IOIC2) for organic solar cells (OSCs). Relative to naphthalene‐based IHIC2, naphthodithiophene‐based IOIC2 with a larger π‐conjugation and a stronger electron‐donating core shows a higher lowest unoccupied molecular orbital energy level (IOIC2: −3.78 eV vs IHIC2: −3.86 eV), broader absorption with a smaller optical bandgap (IOIC2: 1.55 eV vs IHIC2: 1.66 eV), and a higher electron mobility (IOIC2: 1.0 × 10−3 cm2 V−1 s−1 vs IHIC2: 5.0 × 10−4 cm2 V−1 s−1). Thus, IOIC2‐based OSCs show higher values in open‐circuit voltage, short‐circuit current density, fill factor, and thereby much higher power conversion efficiency (PCE) values than those of the IHIC2‐based counterpart. In particular, as‐cast OSCs based on FTAZ: IOIC2 yield PCEs of up to 11.2%, higher than that of the control devices based on FTAZ: IHIC2 (7.45%). Furthermore, by using 0.2% 1,8‐diiodooctane as the processing additive, a PCE of 12.3% is achieved from the FTAZ:IOIC2‐based devices, higher than that of the FTAZ:IHIC2‐based devices (7.31%). These results indicate that incorporating extended conjugation into the electron‐donating fused‐ring units in nonfullerene acceptors is a promising strategy for designing high‐performance electron acceptors.
Extracted statement — Acceptor: IOIC2
Research field: Materials Chemistry
Title: A Solution-Processable Electron Acceptor Based on Dibenzosilole and Diketopyrrolopyrrole for Organic Solar Cells
Abstract: Organic solar cells (OSCs) are a promising cost-effective alternative for utility of solar energy, and possess low-cost, light-weight, and fl exibility advantages. [ 1–7 ] Much attention has been focused on the development of OSCs which have seen a dramatic rise in effi ciency over the last decade, and the encouraging power conversion effi ciency (PCE) over 9% has been achieved from bulk heterojunction (BHJ) OSCs. [ 8 ] With regard to photoactive materials, fullerenes and their derivatives, such as [6,6]-phenyl C 61 butyric acid methyl ester (PC 61 BM), have been the dominant electron-acceptor materials in BHJ OSCs, owing to their high electron mobility, large electron affi nity and isotropy of charge transport. [ 9 ] However, fullerenes have a few disadvantages, such as restricted electronic tuning and weak absorption in the visible region. Furthermore, in typical BHJ system of poly(3-hexylthiophene) (P3HT):PC 61 BM, mismatching energy levels between donor and acceptor leads to energy loss and low open-circuit voltages ( V OC ). To solve these problems, novel electron acceptor materials with strong and broad absorption spectra and appropriate energy levels are necessary for OSCs. Recently, non-fullerene small molecule acceptors have been developed. [ 10 , 11 ] However, rare reports on the devices based on solution-processed non-fullerene small molecule acceptors have shown PCEs approaching or exceeding 1.5%, [ 12–19 ] and only one paper reported PCEs over 2%. [ 16 ]
Extracted statement — Donor: P3HT
Research field: Materials Chemistry
Title: A Rhodanine Flanked Nonfullerene Acceptor for Solution-Processed Organic Photovoltaics
Abstract: A novel small molecule, FBR, bearing 3-ethylrhodanine flanking groups was synthesized as a nonfullerene electron acceptor for solution-processed bulk heterojunction organic photovoltaics (OPV). A straightforward synthesis route was employed, offering the potential for large scale preparation of this material. Inverted OPV devices employing poly(3-hexylthiophene) (P3HT) as the donor polymer and FBR as the acceptor gave power conversion efficiencies (PCE) up to 4.1%. Transient and steady state optical spectroscopies indicated efficient, ultrafast charge generation and efficient photocurrent generation from both donor and acceptor. Ultrafast transient absorption spectroscopy was used to investigate polaron generation efficiency as well as recombination dynamics. It was determined that the P3HT:FBR blend is highly intermixed, leading to increased charge generation relative to comparative devices with P3HT:PC60BM, but also faster recombination due to a nonideal morphology in which, in contrast to P3HT:PC60BM devices, the acceptor does not aggregate enough to create appropriate percolation pathways that prevent fast nongeminate recombination. Despite this nonoptimal morphology the P3HT:FBR devices exhibit better performance than P3HT:PC60BM devices, used as control, demonstrating that this acceptor shows great promise for further optimization.
Extracted statement — Donor: P3HT
Research field: Materials Chemistry
Title: Enhancing the Performance of Organic Solar Cells by Hierarchically Supramolecular Self-Assembly of Fused-Ring Electron Acceptors
Abstract: Three novel non-fullerene small molecular acceptors ITOIC, ITOIC-F, and ITOIC-2F were designed and synthesized with easy chemistry. The concept of supramolecular chemistry was successfully used in the molecular design, which includes noncovalently conformational locking (via intrasupramolecular interaction) to enhance the planarity of backbone and electrostatic interaction (intersupramolecular interaction) to enhance the π–π stacking of terminal groups. Fluorination can further strengthen the intersupramolecular electrostatic interaction of terminal groups. As expected, the designed acceptors exhibited excellent device performance when blended with polymer donor PBDB-T. In comparison with the parent acceptor molecule DC-IDT2T reported in the literature with a power conversion efficiency (PCE) of 3.93%, ITOIC with a planar structure exhibited a PCE of 8.87% and ITOIC-2F with a planar structure and enhanced electrostatic interaction showed a quite impressive PCE of 12.17%. Our result demonstrates the import...
Extracted statement — Donor: PBDB-T
Research field: Medicinal Chemistry and Pharmaceutics
Title: A Novel Nanoparticle Formulation for Sustained Paclitaxel Delivery
Abstract: PurposeTo develop a novel nanoparticle drug delivery system consisting of chitosan and glyceryl monooleate (GMO) for the delivery of a wide variety of therapeutics including paclitaxel.MethodsChitosan/GMO nanoparticles were prepared by multiple emulsion (o/w/o) solvent evaporation methods. Particle size and surface charge were determined. The morphological characteristics and cellular adhesion were evaluated with surface or transmission electron microscopy methods. The drug loading, encapsulation efficiency, in vitro release and cellular uptake were determined using HPLC methods. The safety and efficacy were evaluated by MTT cytotoxicity assay in human breast cancer cells (MDA-MB-231).ResultsThese studies provide conceptual proof that chitosan/GMO can form polycationic nano-sized particles (400 to 700 nm). The formulation demonstrates high yields (98 to 100%) and similar entrapment efficiencies. The lyophilized powder can be stored and easily be resuspended in an aqueous matrix. The nanoparticles have a hydrophobic inner-core with a hydrophilic coating that exhibits a significant positive charge and sustained release characteristics. This novel nanoparticle formulation shows evidence of mucoadhesive properties; a fourfold increased cellular uptake and a 1000-fold reduction in the IC50 of PTX.ConclusionThese advantages allow lower doses of PTX to achieve a therapeutic effect, thus presumably minimizing the adverse side effects.
Extracted statement — keywords: GMO
Research field: Medicinal Chemistry and Pharmaceutics
Title: Resveratrol loaded polymeric micelles for theranostic targeting of breast cancer cells
Abstract: Treatment of breast cancer underwent extensive progress in recent years with molecularly targeted therapies. However, non-specific pharmaceutical approaches (chemotherapy) persist, inducing severe side-effects. Phytochemicals provide a promising alternative for breast cancer prevention and treatment. Specifically, resveratrol (res) is a plant-derived polyphenolic phytoalexin with potent biological activity but displays poor water solubility, limiting its clinical use. Here we have developed a strategy for delivering res using a newly synthesized nano-carrier with the potential for both diagnosis and treatment. Methods: Res-loaded nanoparticles were synthesized by the emulsion method using Pluronic F127 block copolymer and Vitamin E-TPGS. Nanoparticle characterization was performed by SEM and tunable resistive pulse sensing. Encapsulation Efficiency (EE%) and Drug Loading (DL%) content were determined by analysis of the supernatant during synthesis. Nanoparticle uptake kinetics in breast cancer cell lines MCF-7 and MDA-MB-231 as well as in MCF-10A breast epithelial cells were evaluated by flow cytometry and the effects of res on cell viability via MTT assay. Results: Res-loaded nanoparticles with spherical shape and a dominant size of 179±22 nm were produced. Res was loaded with high EE of 73±0.9% and DL content of 6.2±0.1%. Flow cytometry revealed higher uptake efficiency in breast cancer cells compared to the control. An MTT assay showed that res-loaded nanoparticles reduced the viability of breast cancer cells with no effect on the control cells. Conclusions: These results demonstrate that the newly synthesized nanoparticle is a good model for the encapsulation of hydrophobic drugs. Additionally, the nanoparticle delivers a natural compound and is highly effective and selective against breast cancer cells rendering this type of nanoparticle an excellent candidate for diagnosis and therapy of difficult to treat mammary malignancies.
Extracted statement — has cell line: MDA-MB-231
Research field: Medicinal Chemistry and Pharmaceutics
Title: A Novel Nanoparticle Formulation for Sustained Paclitaxel Delivery
Abstract: PurposeTo develop a novel nanoparticle drug delivery system consisting of chitosan and glyceryl monooleate (GMO) for the delivery of a wide variety of therapeutics including paclitaxel.MethodsChitosan/GMO nanoparticles were prepared by multiple emulsion (o/w/o) solvent evaporation methods. Particle size and surface charge were determined. The morphological characteristics and cellular adhesion were evaluated with surface or transmission electron microscopy methods. The drug loading, encapsulation efficiency, in vitro release and cellular uptake were determined using HPLC methods. The safety and efficacy were evaluated by MTT cytotoxicity assay in human breast cancer cells (MDA-MB-231).ResultsThese studies provide conceptual proof that chitosan/GMO can form polycationic nano-sized particles (400 to 700 nm). The formulation demonstrates high yields (98 to 100%) and similar entrapment efficiencies. The lyophilized powder can be stored and easily be resuspended in an aqueous matrix. The nanoparticles have a hydrophobic inner-core with a hydrophilic coating that exhibits a significant positive charge and sustained release characteristics. This novel nanoparticle formulation shows evidence of mucoadhesive properties; a fourfold increased cellular uptake and a 1000-fold reduction in the IC50 of PTX.ConclusionThese advantages allow lower doses of PTX to achieve a therapeutic effect, thus presumably minimizing the adverse side effects.
Extracted statement — has cell line: MDA-MB-231