Synthetic MetalsPub Date : 2024-11-24DOI: 10.1016/j.synthmet.2024.117797
Adrian Pizano, Raju Lampande, Robert Cawthorn, Noel C. Giebink
{"title":"Drift-diffusion modeling of blue OLED degradation","authors":"Adrian Pizano, Raju Lampande, Robert Cawthorn, Noel C. Giebink","doi":"10.1016/j.synthmet.2024.117797","DOIUrl":"10.1016/j.synthmet.2024.117797","url":null,"abstract":"<div><div>Rapid degradation of blue organic light-emitting diodes (OLEDs) is an ongoing challenge for the display and lighting industry. Bimolecular exciton annihilation reactions are one of the leading causes of molecular degradation in these devices, but are so far quantified mostly by fitting data to simplified rate equation models that crudely approximate the exciton and charge carrier densities in the recombination zone while neglecting the other layers in the device entirely. Here, we implement a rigorous drift-diffusion-based degradation model and compare its luminance fade and voltage rise to that of a corresponding rate-based model for a prototypical exciton-polaron-based degradation scenario. We find that the luminance fade predicted by the rate model yields functionally similar, but quantitatively different results than the drift-diffusion simulation, though reasonable agreement can be achieved by using effective values for the annihilation rate coefficient and hot polaron degradation probability. Importantly, the drift-diffusion model indicates that trap state defects formed in the emissive layer lead to only a minor increase in voltage, whereas those formed in the transport layers lead to a larger increase that is on par with experiment. These results suggest that OLED luminance loss and voltage rise largely originate from different sets of defect states formed in the emissive and transport layers, respectively, and that rate model degradation parameters fit from experiment should be viewed as effective values that do not directly correspond to the rate of the actual microscale processes occurring in the device.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"311 ","pages":"Article 117797"},"PeriodicalIF":4.0,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-23DOI: 10.1016/j.synthmet.2024.117795
Nilufer Kocyigit , Sule Dinc Zor , Ozlem Yagci , Sefika Busra Uzuncam , Melih Besir Arvas
{"title":"ZnO-NF/Graphene/Nafion as electrode platform for some pharmaceutical active ingredients sensor and energy storage applications","authors":"Nilufer Kocyigit , Sule Dinc Zor , Ozlem Yagci , Sefika Busra Uzuncam , Melih Besir Arvas","doi":"10.1016/j.synthmet.2024.117795","DOIUrl":"10.1016/j.synthmet.2024.117795","url":null,"abstract":"<div><div>This paper presents a simultaneous sensor for the detection of paracetamol (PAR)and ibuprofen (IBU). The sensor is based on a ZnO nanoflower/Graphene/Nafion coated glassy carbon electrode (ZnO NF/GR/Nafion/GCE) and a supercapacitor electrode with the same electrode component. The morphological characterisation of the prepared sensor and supercapacitor electrode was conducted via scanning electron microscopy (SEM), structural characterisation by X-ray diffraction spectroscopy, chemical characterisation by Fourier transform infrared spectroscopy (FT-IR) and Raman analysis. The electroactivity and selectivity of the ZnO NF/GR/Nafion sensor platform towards IBU and PAR were simultaneously investigated by cyclic voltammetry (CV), differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS). Electrochemical tests of the sensor were conducted in a three-electrode electrochemical system in 0.1 M B-R buffer (pH 4.0). The linear ranges of the ZnO NF/GR/Nafion sensor towards PAR and IBU were determined in the range of 1.0 and 1000.0 μM. The detection limits for PAR and IBU were calculated as 0.28 µM and 0.31 µM, respectively. In real sample analyses, the efficiency of the investigated sensor in different drug formulations was found to respond to PAR and IBU with high recovery (99.05 % and 103.35 %). The supercapacitor electrode was prepared by changing the same electrode component, amounts and ratios of the components. The performance of the supercapacitor electrode was investigated in the potential range from 0 V to 1.2 V in PVA-H<sub>2</sub>SO<sub>4</sub> electrolyte. The supercapacitor electrode demonstrated a specific capacitance of 488.1 F g<sup>−1</sup> at a scan rate of 5 mV s<sup>−1</sup> and a capacitance value of 405.5 F g<sup>−1</sup> at a current density of 7 mA.cm<sup>−2</sup>. In this study, the ZnO NF/GR/Nafion/GCE hybrid electrode produced is used as both sensor and supercapacitor electrode material and operates in dual mode. The production method is cheap and simple, and no additional modifications are needed in the production of electrode components. In this study, for the first time in the literature, the electrode material with ZnO NF/GR/Nafion/GCE component is used in the analysis of some pharmaceutical active ingredients and in supercapacitor applications.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"311 ","pages":"Article 117795"},"PeriodicalIF":4.0,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-22DOI: 10.1016/j.synthmet.2024.117796
Elena V. Shchurik , Sergey G. Vasil’ev , Olga A. Kraevaya , Ivan S. Zhidkov , Alexander F. Shestakov , Chunwang Lv , Sergey M. Aldoshin , Pavel A. Troshin
{"title":"Redox-active phthalocyanine-based frameworks produced by pyrolysis: Promising electrode materials for low-cost potassium batteries","authors":"Elena V. Shchurik , Sergey G. Vasil’ev , Olga A. Kraevaya , Ivan S. Zhidkov , Alexander F. Shestakov , Chunwang Lv , Sergey M. Aldoshin , Pavel A. Troshin","doi":"10.1016/j.synthmet.2024.117796","DOIUrl":"10.1016/j.synthmet.2024.117796","url":null,"abstract":"<div><div>In this manuscript, we present a scalable approach to the design of advanced organic redox-active materials by pyrolysis of simple low molecular weight precursors. A cascade of condensation reactions occurring under pyrolysis of 3,6-dihydroxyphthalodinitrile produced a covalent organic framework with phthalocyanine units. Spectroscopic characterization supported by DFT calculations revealed that the obtained material has a porous membrane-like structure, which is favorable for ionic transport. The potassium batteries using the designed organic redox-active material as a working electrode delivered a specific discharge capacity of ∼100 mAh g<sup>−1</sup> at the high current density of 1 A g<sup>−1</sup> with the average discharge potential of ∼3 V. These characteristics, in combination with the simple synthesis, pave the way to the practical implementation of the designed material in ultrafast, scalable and low-cost stationary batteries, which are urgently needed for electric grids operating with any considerable contribution from renewable energy sources due to their high variability. The proposed material design concept deserves further exploration and might lead to a big family of redox-active organic frameworks with superior electrochemical characteristics.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"311 ","pages":"Article 117796"},"PeriodicalIF":4.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-22DOI: 10.1016/j.synthmet.2024.117794
Maziyar Sabet
{"title":"Innovations in carbon nanotube polymer composites: Electrical, thermal, and mechanical advancements for aerospace and automotive applications","authors":"Maziyar Sabet","doi":"10.1016/j.synthmet.2024.117794","DOIUrl":"10.1016/j.synthmet.2024.117794","url":null,"abstract":"<div><div>This review critically examines recent advancements in carbon nanotube (CNT) polymer composites, focusing on innovative synthesis, functionalization, and fabrication strategies that enhance their mechanical, thermal, and electrical properties. Special emphasis is placed on their applications in aerospace and automotive industries, where these composites have demonstrated the potential to achieve weight reductions of up to 40% and fuel efficiency improvements of 20–25%. This work identifies key challenges, such as achieving uniform CNT dispersion and robust interfacial bonding, while addressing scalability issues in large-scale production. Comparative evaluations with traditional materials underscore the environmental and performance benefits of CNT composites. A comprehensive analysis of advanced fabrication techniques, along with a detailed summary table, provides technical insights and outlines pathways for future research and industrial implementation. This review aims to guide the development of next-generation lightweight, high-performance materials for critical engineering applications.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117794"},"PeriodicalIF":4.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-22DOI: 10.1016/j.synthmet.2024.117798
Jae Ho Kim , Sumin Oh , Chaehyun Park , Yubin Kim , Gyumok Lim , Youngu Lee , Jin Woo Choi , Hyung Woo Lee , Myungkwan Song
{"title":"Enhanced performance of solution-processed organic light-emitting diodes with TEMPOL derivatives","authors":"Jae Ho Kim , Sumin Oh , Chaehyun Park , Yubin Kim , Gyumok Lim , Youngu Lee , Jin Woo Choi , Hyung Woo Lee , Myungkwan Song","doi":"10.1016/j.synthmet.2024.117798","DOIUrl":"10.1016/j.synthmet.2024.117798","url":null,"abstract":"<div><div>This study reports novel solution-processed 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPOL)-derivative organic compounds in a widely employed hole-injection/transport poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) layer. The TEMPOL-derived organic dopants, synthesized via a one-step chemical procedure, exhibited distinctive molecular dipole characteristics and electrical conductivities. The green organic light-emitting diodes (OLEDs) with a 4-benzene sulfonyl-2,2,6,6-tetramethyl-1-piperidenyloxy radical (TBS)-doped PEDOT:PSS layer exhibited a maximum power efficiency (PE<sub>max</sub>) of 25.58 lm W<sup>−1</sup>, maximum external quantum efficiency (EQE<sub>max</sub>) of 12.19 %, and maximum current efficiency (CE<sub>max</sub>) of 40.85 cd A<sup>−1</sup>, demonstrating significant improvements compared with the pristine PEDOT:PSS layer-based device. The PE<sub>max</sub> (16.18 lm W<sup>−1</sup>), EQE<sub>max</sub> (10.67 %), and CE<sub>max</sub> (37.01 cd A<sup>−1</sup>) were obtained with fiber OLEDs under same conditions. This enhancement in OLED performance can be attributed to the decreased hole-injection barrier at the anode and emissive layer interfaces.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"311 ","pages":"Article 117798"},"PeriodicalIF":4.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142722324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-17DOI: 10.1016/j.synthmet.2024.117786
Betül Nur Balkaş , Elif Bilgen , Özgün Akdağ , Zafer Odabaş , Ali Rıza Özkaya
{"title":"Dimethoxyphenoxy alpha-substituted metal-free, and metal phthalocyanines: Electrochemical redox, in-situ spectroelectrochemical and electrochromic properties","authors":"Betül Nur Balkaş , Elif Bilgen , Özgün Akdağ , Zafer Odabaş , Ali Rıza Özkaya","doi":"10.1016/j.synthmet.2024.117786","DOIUrl":"10.1016/j.synthmet.2024.117786","url":null,"abstract":"<div><div>In this study, (2,3-dimethoxy)phenoxy alpha-substituted CoPc (<strong>2</strong>) and CuPc (<strong>3</strong>) complexes were newly synthesized and spectrally characterized. The electrochemical, <em>in situ</em> spectroelectrochemical, and electrochromic properties of CoPc (<strong>2</strong>), CuPc (<strong>3</strong>), ZnPc (<strong>4</strong>), and H<sub>2</sub>Pc (<strong>5</strong>) were also investigated. This investigation discussed the electron-releasing effect of the methoxy (-OCH<sub>3</sub>) groups on the outermost part of the molecule compared with a previously reported (2,6-dimethoxy)phenoxy cobalt phthalocyanine. The results revealed that changing the binding positions of the substituting groups of the phthalocyanines led to detectable changes in the redox properties of complexes. The CoPc (<strong>2</strong>) showed additional redox processes and in situ spectroelectrochemical changes under potential during these processes compared to other complexes due to the redox-active nature of the metal center. Thus, the electrochromic features of the films of these complexes on indium-tin-oxide (ITO) electrodes were also identified and discussed. The films of the complexes displayed promising electrochromic responses with reversible redox processes, fast coloration, and high optical stability. ITO/CoPc (<strong>2</strong>) had the best electrochromic properties among these phthalocyanine films thanks to its rich redox nature.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117786"},"PeriodicalIF":4.0,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-14DOI: 10.1016/j.synthmet.2024.117784
Imran Khan , Anwar ul Haq Ali Shah , Salma Bilal , Philipp Röse
{"title":"Potentiostatic synthesis of polyaniline zinc and iron oxide composites for energy storage applications","authors":"Imran Khan , Anwar ul Haq Ali Shah , Salma Bilal , Philipp Röse","doi":"10.1016/j.synthmet.2024.117784","DOIUrl":"10.1016/j.synthmet.2024.117784","url":null,"abstract":"<div><div>This study introduces an efficient potentiostatic method to enhance the energy storage performance of polyaniline (PN) by synthesizing PN@ZnO (PNZ), PN@Fe<sub>2</sub>O<sub>3</sub> (PNF), and PN@ZnFe<sub>2</sub>O<sub>4</sub> (PNZF) hybrid electrodes with defined porous morphology. The precise selection and control of the working potential during electro-polymerization and metal oxide integration using the linear sweep voltammetry was key for synthesizing the polymer hybrid electrodes reproducible and with defined composition and structure. The PNZF electrode demonstrated the highest specific capacitances of 816 F g<sup>−1</sup> and 791.3 F g<sup>−1</sup> at a scan rate of 5 mV s<sup>−1</sup> and 1.0 A g<sup>−1</sup> current density, along with high power density and energy density of 1058.4 W kg<sup>−1</sup> and 136.4 Wh kg<sup>−1</sup>, and with excellent stability retaining 90 % over 4000 cycles. We could attribute the excellent performance to a low charge transfer resistance of 25.0 Ω, a predominantly surface-controlled charge storage mechanism, and a porous morphology with uniform distribution of ZnFe<sub>2</sub>O<sub>4</sub> particles in the polymer network, all resulting from the electrochemical synthesis method. Our study provides valuable and new insights into the structural, optical, and electrochemical properties of PN composites, particularly PNZF.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117784"},"PeriodicalIF":4.0,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-14DOI: 10.1016/j.synthmet.2024.117785
Zhiyong Zhang , Qijie Lin , Liang Xie , Zeguang Wu , Lifei Yi , Jiamin Cao , Qiang Tao , Wanqiang Liu , Xin Zhang , Hui Huang
{"title":"Hybrid nonfullerene acceptors based on thieno[2′,3′:4,5]thieno[3,2-b]indole for efficient organic solar cells","authors":"Zhiyong Zhang , Qijie Lin , Liang Xie , Zeguang Wu , Lifei Yi , Jiamin Cao , Qiang Tao , Wanqiang Liu , Xin Zhang , Hui Huang","doi":"10.1016/j.synthmet.2024.117785","DOIUrl":"10.1016/j.synthmet.2024.117785","url":null,"abstract":"<div><div>The emergence of non-fullerene acceptors (NFAs) has revived organic solar cells (OSCs) and promoted its industrialization significantly. Nowadays there are two main kinds of fused-ring electron acceptors: ITIC series and Y-series NFAs. Herein, two hybrid NFAs TIT-H and TIT-EH integrated ITIC series and Y-series NFAs have been developed, which based on thieno[2′,3′:4,5]thieno[3,2-<em>b</em>]indole-thiophene with one spiro group. TIT-H and TIT-EH both exhibited excellent thermal stability, low optical bandgaps of ∼1.5 eV, planar molecular geometries, and suitable energy levels. As a result, OSCs based on PM6:TIT-EH afforded a decent PCE of 13.32 %, with an <em>V</em><sub>OC</sub> of 0.856 V, a <em>J</em><sub>SC</sub> of 23.50 mA/cm<sup>2</sup> and a FF of 65.91 %, which was due to the suitable intermolecular interactions of TIT-EH, balanced charge carrier mobilities and face-on orientation in blend films. As comparison, PM6:TIT-H cell exhibited lower PCE of 12.26 %. These results demonstrated that hybrid NFAs are promising for OSC applications.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117785"},"PeriodicalIF":4.0,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-13DOI: 10.1016/j.synthmet.2024.117781
Nguyen My Tu Tran, Bharath Dyaga, Godeline Mireille Nzouadi, Bruno Schmaltz, Nicolas Berton
{"title":"Para-azaquinodimethane-based quinoidal copolymers: Significant enhancement of electrochemical performances and stability with conformational planarity","authors":"Nguyen My Tu Tran, Bharath Dyaga, Godeline Mireille Nzouadi, Bruno Schmaltz, Nicolas Berton","doi":"10.1016/j.synthmet.2024.117781","DOIUrl":"10.1016/j.synthmet.2024.117781","url":null,"abstract":"<div><div>The electrochemical properties of quinoidal-donor (Q-D) alternating copolymers based on the new and attractive quinoidal unit para-azaquinodimethane (p-AQM) are investigated for the first time. A family of four polymers, namely PAQM3T, PAQM4T, PAQM2T-TT and PAQM2T-TVT, designed with different comonomers, is studied using cyclic voltammetry, galvanostatic charge/discharge cycling, electrochemical impedance spectroscopy and spectroelectrochemistry. While p-AQM molecules are known to be relatively unstable, it is demonstrated here that the Q-D polymers can be reversibly oxidized, indicating that p-doping does not generate highly reactive radical species on the methylene carbons of the alkoxy-substituted p-AQM units. This distinctive behavior of polymers <em>vs</em> small molecules can be attributed to a more efficient delocalization of radicals over the conjugated backbone. However, it is found that electrochemical performances and stability depend strongly on the nature of the donor unit. PAQM2T-TVT, having enhanced quinoidal character due to the presence of planar thiophene-vinylene-thiophene (TVT) units in its backbone, exhibits the highest specific and areal capacitance values (331 F/g and 83 mF/cm<sup>2</sup>, respectively) as well as improved capacitance retention upon galvanostatic cycling, up to 92 % after 200 cycles. Moreover, PAQM2T-TVT also shows remarkably improved rate capability, withstanding current densities as high as 10 mA/cm<sup>2</sup>, owing to higher electronic and ionic conductivity. This work suggests that the inclusion of monomer units inducing enhanced conformational planarity of the polymer backbone is crucial in optimizing the electrochemical properties and cyclability of p-AQM based polymers, making them promising materials for advanced electrochemical applications including (micro)supercapacitors and batteries.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117781"},"PeriodicalIF":4.0,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Synthetic MetalsPub Date : 2024-11-13DOI: 10.1016/j.synthmet.2024.117783
Hailu Liu , Huanian Zhang , Mengjie Li , Dakang Wu , Honglin Tang , Xiang Zhang , Meihua Huang , Bin Zhao
{"title":"Tuning molecular aggregation to enhance photovoltaic performance of polymers by isomerizing benzodithiophene moiety","authors":"Hailu Liu , Huanian Zhang , Mengjie Li , Dakang Wu , Honglin Tang , Xiang Zhang , Meihua Huang , Bin Zhao","doi":"10.1016/j.synthmet.2024.117783","DOIUrl":"10.1016/j.synthmet.2024.117783","url":null,"abstract":"<div><div>Benzo[1,2-<em>b</em>:4,5-<em>b</em>']dithiophene derivatives (BDT) have been extensively utilized as electron-donating (D) units for the synthesis of polymer donor materials. However, its isomers, benzo[2,1-<em>b</em>:3,4-<em>b</em>']dithiophene derivatives (<em>i</em>BDT), are rarely employed for this application. In this research, three polymer donors, namely PTz-BDT, PTz-<em>i</em>BDT-L, and PTz-<em>i</em>BDT-H, were designed and synthesized using BDT and <em>i</em>BDT as the D moieties, respectively. Notably, compared to PTz-BDT, the <em>i</em>BDT-based polymers exhibit superior solubility and more favorable aggregation properties. When combined with the non-fullerene acceptor Y6, the <em>i</em>BDT-based polymers exhibit a more advantageous phase morphology, tighter packing, higher charge mobilities, more balanced charge transport, and less charge recombination in the devices. Consequently, the power conversion efficiency (PCE) of the PTz-<em>i</em>BDT-H:Y6 PSC reaches 11.04 %, significantly surpassing those of the PSCs based on PTz-BDT (7.15 %) and the <em>i</em>BDT-based polymers reported in literature. This study introduces an effective approach to enhance the performance of polymeric donors by isomerizing its backbone and synchronously increasing its molecular weight.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"310 ","pages":"Article 117783"},"PeriodicalIF":4.0,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}