Moussab/ORKG-training-evaluation-set huggingface dataset:
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 — Energy band gap: 1.21
Research field: Materials Chemistry
Title: Design and Synthesis of a Low Bandgap Small Molecule Acceptor for Efficient Polymer Solar Cells
Abstract: A novel non-fullerene acceptor, possessing a very low bandgap of 1.34 eV and a high-lying lowest unoccupied molecular orbital level of -3.95 eV, is designed and synthesized by introducing electron-donating alkoxy groups to the backbone of a conjugated small molecule. Impressive power conversion efficiencies of 8.4% and 10.7% are obtained for fabricated single and tandem polymer solar cells.
Extracted statement — Energy band gap: 1.34
Research field: Materials Chemistry
Title: Fused Hexacyclic Nonfullerene Acceptor with Strong Near‐Infrared Absorption for Semitransparent Organic Solar Cells with 9.77% Efficiency
Abstract: A fused hexacyclic electron acceptor, IHIC, based on strong electron‐donating group dithienocyclopentathieno[3,2‐b]thiophene flanked by strong electron‐withdrawing group 1,1‐dicyanomethylene‐3‐indanone, is designed, synthesized, and applied in semitransparent organic solar cells (ST‐OSCs). IHIC exhibits strong near‐infrared absorption with extinction coefficients of up to 1.6 × 105m−1 cm−1, a narrow optical bandgap of 1.38 eV, and a high electron mobility of 2.4 × 10−3 cm2 V−1 s−1. The ST‐OSCs based on blends of a narrow‐bandgap polymer donor PTB7‐Th and narrow‐bandgap IHIC acceptor exhibit a champion power conversion efficiency of 9.77% with an average visible transmittance of 36% and excellent device stability; this efficiency is much higher than any single‐junction and tandem ST‐OSCs reported in the literature.
Extracted statement — Energy band gap: 1.38
Research field: Materials Chemistry
Title: Dithieno[3,2-b
:2′,3′-d
]pyrrol Fused Nonfullerene Acceptors Enabling Over 13% Efficiency for Organic Solar Cells
Abstract: A new electron‐rich central building block, 5,5,12,12‐tetrakis(4‐hexylphenyl)‐indacenobis‐(dithieno[3,2‐b:2′,3′‐d]pyrrol) (INP), and two derivative nonfullerene acceptors (INPIC and INPIC‐4F) are designed and synthesized. The two molecules reveal broad (600–900 nm) and strong absorption due to the satisfactory electron‐donating ability of INP. Compared with its counterpart INPIC, fluorinated nonfullerene acceptor INPIC‐4F exhibits a stronger near‐infrared absorption with a narrower optical bandgap of 1.39 eV, an improved crystallinity with higher electron mobility, and down‐shifted highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. Organic solar cells (OSCs) based on INPIC‐4F exhibit a high power conversion efficiency (PCE) of 13.13% and a relatively low energy loss of 0.54 eV, which is among the highest efficiencies reported for binary OSCs in the literature. The results demonstrate the great potential of the new INP as an electron‐donating building block for constructing high‐performance nonfullerene acceptors for OSCs.
Extracted statement — Energy band gap: 1.39
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 — Energy band gap: 1.43
Research field: Materials Chemistry
Title: A Twisted Thieno[3,4-b
]thiophene-Based Electron Acceptor Featuring a 14-π-Electron Indenoindene Core for High-Performance Organic Photovoltaics
Abstract: With an indenoindene core, a new thieno[3,4‐b]thiophene‐based small‐molecule electron acceptor, 2,2′‐((2Z,2′Z)‐((6,6′‐(5,5,10,10‐tetrakis(2‐ethylhexyl)‐5,10‐dihydroindeno[2,1‐a]indene‐2,7‐diyl)bis(2‐octylthieno[3,4‐b]thiophene‐6,4‐diyl))bis(methanylylidene))bis(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalononitrile (NITI), is successfully designed and synthesized. Compared with 12‐π‐electron fluorene, a carbon‐bridged biphenylene with an axial symmetry, indenoindene, a carbon‐bridged E‐stilbene with a centrosymmetry, shows elongated π‐conjugation with 14 π‐electrons and one more sp3 carbon bridge, which may increase the tunability of electronic structure and film morphology. Despite its twisted molecular framework, NITI shows a low optical bandgap of 1.49 eV in thin film and a high molar extinction coefficient of 1.90 × 105m−1 cm−1 in solution. By matching NITI with a large‐bandgap polymer donor, an extraordinary power conversion efficiency of 12.74% is achieved, which is among the best performance so far reported for fullerene‐free organic photovoltaics and is inspiring for the design of new electron acceptors.
Extracted statement — Energy band gap: 1.49
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 — Energy band gap: 1.55
Research field: Materials Chemistry
Title: Dual functional highly luminescence B, N Co-doped carbon nanodots as nanothermometer and Fe3+/Fe2+ sensor
Abstract: Abstract Dual functional fluorescence nanosensors have many potential applications in biology and medicine. Monitoring temperature with higher precision at localized small length scales or in a nanocavity is a necessity in various applications. As well as the detection of biologically interesting metal ions using low-cost and sensitive approach is of great importance in bioanalysis. In this paper, we describe the preparation of dual-function highly fluorescent B, N-co-doped carbon nanodots (CDs) that work as chemical and thermal sensors. The CDs emit blue fluorescence peaked at 450 nm and exhibit up to 70% photoluminescence quantum yield with showing excitation-independent fluorescence. We also show that water-soluble CDs display temperature-dependent fluorescence and can serve as highly sensitive and reliable nanothermometers with a thermo-sensitivity 1.8% °C −1 , and wide range thermo-sensing between 0–90 °C with excellent recovery. Moreover, the fluorescence emission of CDs are selectively quenched after the addition of Fe 2+ and Fe 3+ ions while show no quenching with adding other common metal cations and anions. The fluorescence emission shows a good linear correlation with concentration of Fe 2+ and Fe 3+ (R 2 = 0.9908 for Fe 2+ and R 2 = 0.9892 for Fe 3+ ) with a detection limit of of 80.0 ± 0.5 nM for Fe 2+ and 110.0 ± 0.5 nM for Fe 3+ . Considering the high quantum yield and selectivity, CDs are exploited to design a nanoprobe towards iron detection in a biological sample. The fluorimetric assay is used to detect Fe 2+ in iron capsules and total iron in serum samples successfully.
Extracted statement — Sensitivity: 1.8
Research field: Materials Chemistry
Title: High-performance fullerene-free polymer solar cells with 6.31% efficiency
Abstract: <p>A nonfullerene electron acceptor (IEIC) based on indaceno[1,2-<italic>b</italic>:5,6-<italic>b</italic>′]dithiophene and 2-(3-oxo-2,3-dihydroinden-1-ylidene)malononitrile was designed and synthesized, and fullerene-free polymer solar cells based on the IEIC acceptor showed power conversion efficiencies of up to 6.31%.</p>
Extracted statement — Power conversion efficiency: 6.31
Research field: Materials Chemistry
Title: A simple small molecule as an acceptor for fullerene-free organic solar cells with efficiency near 8%
Abstract: A simple small molecule acceptor named DICTF, with fluorene as the central block and 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile as the end-capping groups, has been designed for fullerene-free organic solar cells. The new molecule was synthesized from widely available and inexpensive commercial materials in only three steps with a high overall yield of ∼60%. Fullerene-free organic solar cells with DICTF as the acceptor material provide a high PCE of 7.93%.
Extracted statement — Power conversion efficiency (%): 7.93
Research field: Materials Chemistry
Title: Fused Hexacyclic Nonfullerene Acceptor with Strong Near‐Infrared Absorption for Semitransparent Organic Solar Cells with 9.77% Efficiency
Abstract: A fused hexacyclic electron acceptor, IHIC, based on strong electron‐donating group dithienocyclopentathieno[3,2‐b]thiophene flanked by strong electron‐withdrawing group 1,1‐dicyanomethylene‐3‐indanone, is designed, synthesized, and applied in semitransparent organic solar cells (ST‐OSCs). IHIC exhibits strong near‐infrared absorption with extinction coefficients of up to 1.6 × 105m−1 cm−1, a narrow optical bandgap of 1.38 eV, and a high electron mobility of 2.4 × 10−3 cm2 V−1 s−1. The ST‐OSCs based on blends of a narrow‐bandgap polymer donor PTB7‐Th and narrow‐bandgap IHIC acceptor exhibit a champion power conversion efficiency of 9.77% with an average visible transmittance of 36% and excellent device stability; this efficiency is much higher than any single‐junction and tandem ST‐OSCs reported in the literature.
Extracted statement — Power conversion efficiency: 9.77
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 — Power conversion efficiency: 10.21
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 — Power conversion efficiency: 11.77
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 — Power conversion efficiency: 12.17
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 — Power conversion efficiency: 12.3
Research field: Materials Chemistry
Title: A Twisted Thieno[3,4-b
]thiophene-Based Electron Acceptor Featuring a 14-π-Electron Indenoindene Core for High-Performance Organic Photovoltaics
Abstract: With an indenoindene core, a new thieno[3,4‐b]thiophene‐based small‐molecule electron acceptor, 2,2′‐((2Z,2′Z)‐((6,6′‐(5,5,10,10‐tetrakis(2‐ethylhexyl)‐5,10‐dihydroindeno[2,1‐a]indene‐2,7‐diyl)bis(2‐octylthieno[3,4‐b]thiophene‐6,4‐diyl))bis(methanylylidene))bis(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalononitrile (NITI), is successfully designed and synthesized. Compared with 12‐π‐electron fluorene, a carbon‐bridged biphenylene with an axial symmetry, indenoindene, a carbon‐bridged E‐stilbene with a centrosymmetry, shows elongated π‐conjugation with 14 π‐electrons and one more sp3 carbon bridge, which may increase the tunability of electronic structure and film morphology. Despite its twisted molecular framework, NITI shows a low optical bandgap of 1.49 eV in thin film and a high molar extinction coefficient of 1.90 × 105m−1 cm−1 in solution. By matching NITI with a large‐bandgap polymer donor, an extraordinary power conversion efficiency of 12.74% is achieved, which is among the best performance so far reported for fullerene‐free organic photovoltaics and is inspiring for the design of new electron acceptors.
Extracted statement — Power conversion efficiency: 12.74
Research field: Materials Chemistry
Title: Dithieno[3,2-b
:2′,3′-d
]pyrrol Fused Nonfullerene Acceptors Enabling Over 13% Efficiency for Organic Solar Cells
Abstract: A new electron‐rich central building block, 5,5,12,12‐tetrakis(4‐hexylphenyl)‐indacenobis‐(dithieno[3,2‐b:2′,3′‐d]pyrrol) (INP), and two derivative nonfullerene acceptors (INPIC and INPIC‐4F) are designed and synthesized. The two molecules reveal broad (600–900 nm) and strong absorption due to the satisfactory electron‐donating ability of INP. Compared with its counterpart INPIC, fluorinated nonfullerene acceptor INPIC‐4F exhibits a stronger near‐infrared absorption with a narrower optical bandgap of 1.39 eV, an improved crystallinity with higher electron mobility, and down‐shifted highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. Organic solar cells (OSCs) based on INPIC‐4F exhibit a high power conversion efficiency (PCE) of 13.13% and a relatively low energy loss of 0.54 eV, which is among the highest efficiencies reported for binary OSCs in the literature. The results demonstrate the great potential of the new INP as an electron‐donating building block for constructing high‐performance nonfullerene acceptors for OSCs.
Extracted statement — Power conversion efficiency: 13.13
Research field: Medicinal Chemistry and Pharmaceutics
Title: Functionalization of Silver Nanoparticles Loaded with Paclitaxel-induced A549 Cells Apoptosis Through ROS-Mediated Signaling Pathways
Abstract: Background: Paclitaxel (PTX) is one of the most important and effective anticancer drugs for the treatment of human cancer. However, its low solubility and severe adverse effects limited clinical use. To overcome this limitation, nanotechnology has been used to overcome tumors due to its excellent antimicrobial activity. Objective: This study was to demonstrate the anticancer properties of functionalization silver nanoparticles loaded with paclitaxel (Ag@PTX) induced A549 cells apoptosis through ROS-mediated signaling pathways. Methods: The Ag@PTX nanoparticles were charged with a zeta potential of about -17 mv and characterized around 2 nm with a narrow size distribution. Results: Ag@PTX significantly decreased the viability of A549 cells and possessed selectivity between cancer and normal cells. Ag@PTX induced A549 cells apoptosis was confirmed by nuclear condensation, DNA fragmentation, and activation of caspase-3. Furthermore, Ag@PTX enhanced the anti-cancer activity of A549 cells through ROS-mediated p53 and AKT signalling pathways. Finally, in a xenograft nude mice model, Ag@PTX suppressed the growth of tumors. Conclusion: Our findings suggest that Ag@PTX may be a candidate as a chemopreventive agent and could be a highly efficient way to achieve anticancer synergism for human cancers.
Extracted statement — Zeta potential: -17
Research field: Medicinal Chemistry and Pharmaceutics
Title: Formulation, optimization, hemocompatibility and pharmacokinetic evaluation of PLGA nanoparticles containing paclitaxel
Abstract: Abstract Objective: Paclitaxel (PTX)-loaded polymer (Poly(lactic-co-glycolic acid), PLGA)-based nanoformulation was developed with the objective of formulating cremophor EL-free nanoformulation intended for intravenous use. Significance: The polymeric PTX nanoparticles free from the cremophor EL will help in eliminating the shortcomings of the existing delivery system as cremophor EL causes serious allergic reactions to the subjects after intravenous use. Methods and results: Paclitaxel-loaded nanoparticles were formulated by nanoprecipitation method. The diminutive nanoparticles (143.2 nm) with uniform size throughout (polydispersity index, 0.115) and high entrapment efficiency (95.34%) were obtained by employing the Box–Behnken design for the optimization of the formulation with the aid of desirability approach-based numerical optimization technique. Optimized levels for each factor viz. polymer concentration (X1), amount of organic solvent (X2), and surfactant concentration (X3) were 0.23%, 5 ml %, and 1.13%, respectively. The results of the hemocompatibility studies confirmed the safety of PLGA-based nanoparticles for intravenous administration. Pharmacokinetic evaluations confirmed the longer retention of PTX in systemic circulation. Conclusion: In a nutshell, the developed polymeric nanoparticle formulation of PTX precludes the inadequacy of existing PTX formulation and can be considered as superior alternative carrier system of the same.
Extracted statement — Poly dispercity index (PDI): 0.115