Dipole Moments Regulation of Biphosphonic Acid Molecules for Self-assembled Monolayers Boosts the Efficiency of Organic Solar Cells Exceeding 19.7%

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(20), P. 14287 - 14296

Published: May 8, 2024

PEDOT:PSS has been widely used as a hole extraction layer (HEL) in organic solar cells (OSCs). However, their acidic nature can potentially corrode the indium tin oxide (ITO) electrode over time, leading to adverse effects on longevity of OSCs. Herein, we have developed class biphosphonic acid molecules with tunable dipole moments for self-assembled monolayers (SAMs), namely, 3-BPIC(i), 3-BPIC, and 3-BPIC-F, which exhibit an increasing moment sequence. Compared centrosymmetric axisymmetric 3-BPIC 3-BPIC-F higher adsorption energies (Eads) ITO, shorter interface spacing, more uniform coverage ITO surface, better interfacial compatibility active layer. Thanks incorporation fluorine atoms, exhibits deeper highest occupied molecular orbital (HOMO) energy level larger compared resulting enlarged work function (WF) ITO/3-BPIC-F substrate. These advantages could not only improve within device but also lower impedance reduce nonradiative recombination at interface. As result, OSCs using SAM based obtained record high efficiency 19.71%, is than that achieved from 3-BPIC(i) (13.54%) (19.34%). Importantly, 3-BPIC-F-based significantly enhanced stability utilizing HEL. Our offers guidance future design functional SAMs realize even performance cells.

Language: Английский

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Bisphosphonate‐Anchored Self‐Assembled Molecules with Larger Dipole Moments for Efficient Inverted Perovskite Solar Cells with Excellent Stability

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(28)

Published: May 20, 2024

Abstract In the fabrication of inverted perovskite solar cells (PSCs), wettability, adsorbability, and compactness self‐assembled monolayers (SAMs) on conductive substrates have critical impacts quality films defects at buried perovskite‐substrate interface, which control efficiency stability devices. Herein, three bisphosphonate‐anchored indolocarbazole (IDCz)‐derived SAMs, IDCz‐1, IDCz‐2, IDCz‐3, are designed synthesized by modulating position two nitrogen atoms IDCz unit to improve molecular dipole moments strengthen π–π interactions. Regulating work functions (WF) FTO electrodes through energy levels, band bends upwards with a small offset for ITO/IDCz‐3/perovskite, thereby promoting hole extraction blocking electrons. As result, PSC employing IDCz‐3 as hole‐collecting layer exhibits champion PCE 25.15%, is record multipodal SAMs‐based PSCs. Moreover, unencapsulated device can be stored least 1800 h little degradation in performance.

Language: Английский

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Guest Acceptors with Lower Electrostatic Potential in Ternary Organic Solar Cells for Minimizing Voltage Losses

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(26)

Published: April 5, 2024

The ternary strategy, in which one guest component is introduced into host binary system, considered to be of the most effective ways realize high-efficiency organic solar cells (OSCs). To date, there no efficient method predict effectiveness components OSCs. Herein, three compositions (i.e., ANF-1, ANF-2 and ANF-3) with different electrostatic potential (ESP) are designed synthesized by modulating electron-withdrawing ability terminal groups through density functional theory simulations. effects introduction system (D18:N3) on photovoltaic properties investigated. theoretical experimental studies provide a key rule for acceptor OSCs improve open-circuit voltage, that is, larger ESP difference between acceptor, stronger intermolecular interactions higher miscibility, improves luminescent efficiency blend film electroluminescence quantum yield (EQE

Language: Английский

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Over 19.2% Efficiency of Layer‐By‐Layer Organic Photovoltaics by Ameliorating Exciton Dissociation and Charge Transport

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 26, 2025

Abstract Layer‐by‐layer (LbL) organic photovoltaics (OPVs) are fabricated with polymer PM1 as donor and small molecule L8‐BO acceptor by employing sequential spin‐coating technology. The BTP‐eC9 PTAA deliberately selected for individually incorporating into layer layer, resulting in the power conversion efficiency (PCE) increased from 18.22% to 19.23%. improvement of performance is attributed synergistically short circuit current density ( J SC ) 27.78 mA cm −2 fill factor (FF) 78.23%. introduction can promote photogenerated exciton dissociation, especially excitons near anode. Meanwhile, molecular crystallinity also enhanced appropriate layer. incorporation provide hole transport channels effectively improve holes generated self‐dissociation L8‐BO, FFs 77.40% synergistic effects layers result a 19.23% PCE optimized LbL‐OPVs. This work demonstrates that there great room hierarchically optimize achieving highly efficient

Language: Английский

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Double Hole Transport Layers Enable 20.42% Efficiency Organic Solar Cells by Aggregation Control of Self‐Assembled Molecules on Cobalt Salt Surfaces

Small, Journal Year: 2025, Volume and Issue: unknown

Published: March 26, 2025

Heterojunction interfaces play a crucial role in charge carrier transport, influencing the overall photovoltaic performance of organic solar cells (OSCs). Despite importance, advancements interfacial engineering, especially optimizing microstructure and nanomorphology, have not kept pace with research on photoactive layers. In study, strategy is explored to control self-assembly growth alcohol-soluble Me-4PACz (4P) used as hole transport layer (HTL) OSCs. The surface architecture modified inorganic Co salts via Cu doping UV-ozone treatments, creating smooth top an increased Co3+/Co2+ ratio hydroxyl groups. This meticulous design fine-tuned assembly behavior self-assembled molecules, resulting transition from spherical aggregates more uniform worm-like morphology. Additionally, electrical optical properties are optimized passivate defects enhance wettability solvents, leading improved extraction reduced recombination losses. Consequently, OSC Cu-Co/4P HTL exhibited highest power conversion efficiency 20.42% (certified 20.20%). characteristic universality stability make potential candidate for widespread applications, particularly providing rationalized guidance further

Language: Английский

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Binary Organic Solar Cells with >19.6% Efficiency: The Significance of Self-Assembled Monolayer Modification

ACS Energy Letters, Journal Year: 2024, Volume and Issue: 9(9), P. 4209 - 4217

Published: Aug. 1, 2024

Improving the uniformity and density of self-assembled monolayers (SAMs) is crucial to elevate photovoltaic performance organic solar cells (OSCs). Herein, we introduced small molecules 1-hydroxybenzotriazole (HOBT) modulate distribution electrical properties (4-(7H-dibenzo[c,g]carbazol-7-yl)butyl)phosphonic acid (4PADCB) on indium tin oxide (ITO) transparent electrodes in an innovative manner. The hydroxyl group HOBT interacts with phosphate SAMs, while steric repulsion exerted by backbone efficiently regulates SAMs. This led a more uniform dense SAMs ITO. Furthermore, HOBT-modified have improved crystallization vertical phase separation upper active layer. Consequently, PM6:BTP-eC9 binary OSCs based exhibit impressive PCE 19.66%. Our work presents effective strategy for regulating SAM morphology offers promising approach advancing OSCs.

Language: Английский

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Benzannulation of Functionally Enhanced Indole-3-carbaldehydes with Ynones and Alkynoates: A Domino Approach to Bioactive Carbazoles─Synthesis of Clauolenzole A, Calothrixin A & B, Methyl Carbazole-3-carboxylate, and Quinocarbazole

The Journal of Organic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 5, 2025

A flexible, regioselective, benzannulation strategy toward multifunctional carbazoles from 2-(2-oxo-2-arylethyl)indole-3-carbaldehydes, employing either ynones or alkynoates as reaction partners, has been envisaged and implemented. This enabling access to variegated in one-flask operation leads strategic substituent diversification via partner variation. The efficacy applications of this methodology are demonstrated through 23 examples concise syntheses bioactive clauolenzole A, calothrixin & B, methyl carbazole-3-carboxylate, pharmacophoric quinocarbazole.

Language: Английский

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Central fluorination strategy of biphosphonic acid molecule for self-assembled monolayer enables efficient organic solar cells

Science China Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 14, 2025

Language: Английский

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Achieving 19.4% Efficiency Polymer Solar Cells by Reducing Backbone Disorder in Donor Terpolymers

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(48)

Published: Aug. 6, 2024

Abstract The ternary copolymerization strategy has emerged as a promising for developing high‐efficiency donor polymers in polymer solar cells (PSCs). Terpolymers based on the star PM6 have already realized good photovoltaic performance. However, challenges such intricate synthesis of fluorine‐substituted benzodithiophene (F‐BDT) unit and entropy increase induced by backbone disorder hindered construction high‐performance terpolymers. In this work, these are addressed opting cost‐effective chlorinated‐substituted (Cl‐BDT) an alternative to F‐BDT incorporating large dipole moment electron‐deficient TPD group third component into PM7. As expected, approach effectively suppresses terpolymer while enhancing crystallinity, thereby optimizing morphology improving charge generation transport. Remarkably, PM7‐TPD‐10‐based device with 10% replacement achieves champion power conversion efficiency (PCE) 18.26%. After introducing PM7‐TPD‐10 D18:L8‐BO blend, dual mechanism 19.40% is realized. This work demonstrates that high moiety construct terpolymers important suppress facilitating optimization

Language: Английский

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The Role of Self‐Assembled Monolayers in the Performance‐Stability Trade‐Off in Organic Solar Cells

Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(44)

Published: Aug. 15, 2024

Abstract In recent years, self‐assembled monolayers (SAMs) have been proven to work efficiently as hole‐selective materials in both organic solar cells (OSCs) and perovskite cells. Although competitive performances are reported with these materials, a mechanistic understanding on device stability remains elusive. This study reveals that while various SAM molecules can increase the indium tin oxide (ITO) function versus vacuum, they may not consistently result ensure simultaneous improvement performance operational of devices. Energetically, achieving alignment between SAM‐modified electrode ionization energy (IE) donor is shown be crucial for low hole injection barrier, irrespective SAM's IE. Light‐induced degradation widely used SAM, (2‐(9H‐carbazol‐9‐yl)ethyl) phosphonic acid (2PACz), identified through diverse aging tests comprehensive chemical electronic characterizations. involves molecule decomposition reactions photoactive layer, contributing further degradation. Addressing challenges, sputtered nickel oxide/SAM bilayers proposed contact tailored interface energetics efficient photostable OSCs, offering promising alternative commonly hygroscopic PEDOT:PSS OSCs.

Language: Английский

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