ACS Applied Optical Materials最新文献

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Improving the Efficiency and Stability of Green-Light Perovskite CsPbBr3 LEDs via Low-Temperature Annealing 通过低温退火提高绿光钙钛矿CsPbBr3 led的效率和稳定性
ACS Applied Optical Materials Pub Date : 2025-03-11 DOI: 10.1021/acsaom.5c0001610.1021/acsaom.5c00016
Hui-Lian Zhou, Ya-Yang He, Yong Wang, Cheng-Yang Zhou, Hong-Wei Hu*, Yun Zhang* and Guang-Gui Cheng, 
{"title":"Improving the Efficiency and Stability of Green-Light Perovskite CsPbBr3 LEDs via Low-Temperature Annealing","authors":"Hui-Lian Zhou,&nbsp;Ya-Yang He,&nbsp;Yong Wang,&nbsp;Cheng-Yang Zhou,&nbsp;Hong-Wei Hu*,&nbsp;Yun Zhang* and Guang-Gui Cheng,&nbsp;","doi":"10.1021/acsaom.5c0001610.1021/acsaom.5c00016","DOIUrl":"https://doi.org/10.1021/acsaom.5c00016https://doi.org/10.1021/acsaom.5c00016","url":null,"abstract":"<p >All-inorganic lead bromide perovskite CsPbBr<sub>3</sub> has garnered considerable attention due to its high thermal stability and rapid radiative recombination. Unfortunately, it is still a big challenge to further improve the efficiency and stability of the CsPbBr<sub>3</sub> film via the solution processing technique. In this study, we report a method to enhance the CsPbBr<sub>3</sub> film quality via annealing at a low temperature of 38 °C. The low-temperature annealing slows the phase transition, allowing for the orderly arrangement of crystal orientations and a surface with fewer defects. With this method, the fabricated CsPbBr<sub>3</sub> PeLED exhibits great stability and bright luminescence, achieving an external quantum efficiency (EQE) of 8.21%. The PeLEDs fabricated at 38 °C demonstrated a low turn-on voltage of 1.5 V, with high current densities of 66.8 mA/cm<sup>2</sup> at 2.0 V and 371 mA/cm<sup>2</sup> at 3.0 V. These results provide valuable insights for the realization of high-efficiency and high-stability PeLEDs for lighting and display applications.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"756–763 756–763"},"PeriodicalIF":0.0,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced Short-Wave Infrared Luminescence in Yb3+-Doped Cr(PO3)3 Phosphor with over 60% External Quantum Efficiency 外量子效率超过60%的Yb3+掺杂Cr(PO3)3荧光粉增强短波红外发光
ACS Applied Optical Materials Pub Date : 2025-03-10 DOI: 10.1021/acsaom.5c0002510.1021/acsaom.5c00025
Lipeng Huang, Yanjie Liang*, Xulong Lv, Xihui Shan, Yi Zhang and Xiao-Jun Wang*, 
{"title":"Enhanced Short-Wave Infrared Luminescence in Yb3+-Doped Cr(PO3)3 Phosphor with over 60% External Quantum Efficiency","authors":"Lipeng Huang,&nbsp;Yanjie Liang*,&nbsp;Xulong Lv,&nbsp;Xihui Shan,&nbsp;Yi Zhang and Xiao-Jun Wang*,&nbsp;","doi":"10.1021/acsaom.5c0002510.1021/acsaom.5c00025","DOIUrl":"https://doi.org/10.1021/acsaom.5c00025https://doi.org/10.1021/acsaom.5c00025","url":null,"abstract":"<p >Short-wave infrared (SWIR) light sources, as crucial components of SWIR imaging and spectroscopy technologies, have garnered significant attention recently. The rapid development of portable electronic devices has created a demand for compact and efficient SWIR emitters, and phosphor-converted SWIR LEDs represent the optimal technological solution to meet this requirement. Here, a Cr(PO<sub>3</sub>)<sub>3</sub>:Yb<sup>3+</sup> phosphor with highly efficient and pure SWIR luminescence under 450 nm blue LED excitation is reported. Upon doping with Yb<sup>3+</sup> in the Cr(PO<sub>3</sub>)<sub>3</sub> matrix, the resulting material is capable of effectively converting blue excitation photons to SWIR luminescence spanning from 900 to 1200 nm, with a dominant emission peak at 1003 nm due to the efficient energy transfer from Cr<sup>3+</sup> to Yb<sup>3+</sup>. Notably, this phosphor demonstrates an ultrahigh internal quantum efficiency (IQE) of 95.7% and a record external quantum efficiency (EQE) of 60.3% upon 450 nm blue light excitation. Moreover, the fabricated SWIR LED prototype device by combining the Cr(PO<sub>3</sub>)<sub>3</sub>:Yb<sup>3+</sup> phosphor and a commercial 450 nm blue LED chip exhibits SWIR output power of 24.1 mW at 200 mA input current and a photoelectric conversion efficiency of 12.8% at 20 mA. This study not only opens avenues for realizing high-efficiency SWIR luminescence by deliberately controlling energy transfer pathways in Cr-based material systems but also paves the way for the development of high-power SWIR light sources.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"779–788 779–788"},"PeriodicalIF":0.0,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Underlying Dynamics of Double-Halide Perovskites: Unraveling Structural Complexity, Bandgap Modulation, Optical, and Carrier Dynamics for Next-Generation Optoelectronics 双卤化物钙钛矿的潜在动力学:揭示结构复杂性,带隙调制,光学和载流子动力学用于下一代光电子学
ACS Applied Optical Materials Pub Date : 2025-03-09 DOI: 10.1021/acsaom.4c0052410.1021/acsaom.4c00524
Noolu Srinivasa Manikanta Viswanath,  and , Won Bin Im*, 
{"title":"Underlying Dynamics of Double-Halide Perovskites: Unraveling Structural Complexity, Bandgap Modulation, Optical, and Carrier Dynamics for Next-Generation Optoelectronics","authors":"Noolu Srinivasa Manikanta Viswanath,&nbsp; and ,&nbsp;Won Bin Im*,&nbsp;","doi":"10.1021/acsaom.4c0052410.1021/acsaom.4c00524","DOIUrl":"https://doi.org/10.1021/acsaom.4c00524https://doi.org/10.1021/acsaom.4c00524","url":null,"abstract":"<p >Double-halide perovskites have emerged as promising alternatives to lead-based materials owing to their tunable electronic properties and potential applications in solar cells, light-emitting diodes, and sensors. They allow the incorporation of various metal ions at the B-site, enabling bandgap and carrier mobility adjustments and enhancing their versatility. However, challenges like carrier trapping and structural distortion impede practical use. This review comprehensively analyzes factors like metal-ion arrangement, structural distortions, and the Jahn–Teller effect on emission properties. It discusses the use of the linear combination of atomic orbital theory for predicting band structures, emphasizing equatorial angles in 2D structures for bandgap tuning. It also delves into defect chemistry, examines shallow and deep trap formation, and highlights strategies for improving charge transport, including defect engineering, surface treatments, and compositional adjustments. The integration of various factors and future research directions, such as doping strategies and 2D structures, presented in this work are expected to advance double-halide perovskites in next-generation optoelectronic technologies.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"578–600 578–600"},"PeriodicalIF":0.0,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Broadband MgGa2O4:Cr3+ Spinel with High Luminescence Thermal Stability for Near-Infrared Phosphor-Converted Light-Emitting Diodes 近红外磷转换发光二极管用高发光热稳定性宽带MgGa2O4:Cr3+尖晶石
ACS Applied Optical Materials Pub Date : 2025-03-06 DOI: 10.1021/acsaom.5c0005910.1021/acsaom.5c00059
Reshmi T. Parayil, Santosh K. Gupta*, Brindaban Modak, Malini Abraham, Giri Dhari Patra, Saman Arif Jabri, Subrata Das and Manoj Mohapatra, 
{"title":"Broadband MgGa2O4:Cr3+ Spinel with High Luminescence Thermal Stability for Near-Infrared Phosphor-Converted Light-Emitting Diodes","authors":"Reshmi T. Parayil,&nbsp;Santosh K. Gupta*,&nbsp;Brindaban Modak,&nbsp;Malini Abraham,&nbsp;Giri Dhari Patra,&nbsp;Saman Arif Jabri,&nbsp;Subrata Das and Manoj Mohapatra,&nbsp;","doi":"10.1021/acsaom.5c0005910.1021/acsaom.5c00059","DOIUrl":"https://doi.org/10.1021/acsaom.5c00059https://doi.org/10.1021/acsaom.5c00059","url":null,"abstract":"<p >Near-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are emerging as promising light sources for applications in nondestructive testing, plant growth enhancement, and night vision. However, designing an NIR phosphor with high emission efficiency, excellent luminescence thermal stability, and a broad emission range remains a significant challenge. In this study, we synthesized MgGa<sub>2</sub>O<sub>4</sub>:Cr<sup>3+</sup> (MGO-Cr) phosphors using a solid-state reaction. These phosphors emit a broad NIR light ranging from 650 to 1300 nm, with an outstanding full width at half-maximum (FWHM) of 269 nm, indicating their ability to cover a wide emission range. The internal quantum efficiency of the phosphor is 73%, which is indicative of efficient radiative recombination. Furthermore, the phosphors exhibit excellent luminescence thermal stability, with an intensity ratio of I<sub>423 K</sub>/I<sub>298 K</sub> = 81%, demonstrating their ability to maintain stable emission at elevated temperatures─an important characteristic for practical device applications. The investigation focuses on the site occupancy of Cr<sup>3+</sup> ions within the crystal lattice and explores the relationship between the luminescent centers and emission spectra of Cr<sup>3+</sup>. This includes an analysis of crystal field strength, photoluminescence excitation and emission spectra, and decay lifetimes, which supports the theoretical calculations. This comprehensive study provides valuable insight into the structural and electronic factors that govern the performance of MgGa<sub>2</sub>O<sub>4</sub>:Cr<sup>3+</sup> as an NIR phosphor. Additionally, an NIR pc-LED device was fabricated using the synthesized NIR phosphor to demonstrate its potential for practical and spectroscopic applications. These findings highlight the potential of MgGa<sub>2</sub>O<sub>4</sub>:Cr<sup>3+</sup> phosphors as efficient NIR emitters for pc-LED applications. The excellent emission properties, thermal stability, and successful fabrication of NIR pc-LED devices demonstrate their promising applicability in various fields. This work provides valuable insights into the design of advanced NIR phosphors for next-generation lighting technologies.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"798–808 798–808"},"PeriodicalIF":0.0,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sub-microsecond Birefringence Modulation of Blue Phase Polymer-Templated Ferroelectric Nematic Liquid Crystal Induced by Voltage Reversal 电压反转诱导蓝相聚合物模板铁电向列液晶的亚微秒双折射调制
ACS Applied Optical Materials Pub Date : 2025-03-05 DOI: 10.1021/acsaom.4c0052310.1021/acsaom.4c00523
Kazuma Nakajima, Hirokazu Kamifuji, Mahiro Nakase, Kento Nishi, Hirotsugu Kikuchi and Masanori Ozaki*, 
{"title":"Sub-microsecond Birefringence Modulation of Blue Phase Polymer-Templated Ferroelectric Nematic Liquid Crystal Induced by Voltage Reversal","authors":"Kazuma Nakajima,&nbsp;Hirokazu Kamifuji,&nbsp;Mahiro Nakase,&nbsp;Kento Nishi,&nbsp;Hirotsugu Kikuchi and Masanori Ozaki*,&nbsp;","doi":"10.1021/acsaom.4c0052310.1021/acsaom.4c00523","DOIUrl":"https://doi.org/10.1021/acsaom.4c00523https://doi.org/10.1021/acsaom.4c00523","url":null,"abstract":"<p >Blue phase polymer-templated ferroelectric nematic liquid crystal (BPPT-FNLC) enables FNLC orientation in BP structures while retaining ferroelectricity. This study investigated their electro-optical properties, revealing a significant enhancement in the Kerr effect in the ferroelectric phase. In the ferroelectric phase, voltage polarity reversal induces rapid molecular reorientation due to polarization reversal, resulting in sub-microsecond birefringence switching. Moreover, under AC voltage, the material exhibits large birefringence modulation (∼0.05) at frequencies as high as ∼100 kHz. These findings establish BPPT-FNLC as a promising material for high-speed and polarized light-independent optical modulation, addressing the needs of advanced optoelectronic applications.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"601–606 601–606"},"PeriodicalIF":0.0,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
AC-Electrospinning Nanofibers from Polyelectrolyte–PEGylated Quantum Dot Complex Coacervates 聚电解质-聚乙二醇化量子点复合物的交流静电纺丝纳米纤维凝聚
ACS Applied Optical Materials Pub Date : 2025-03-04 DOI: 10.1021/acsaom.4c0047610.1021/acsaom.4c00476
Jamuna K. Vaishnav,  and , Yingxi Zhu*, 
{"title":"AC-Electrospinning Nanofibers from Polyelectrolyte–PEGylated Quantum Dot Complex Coacervates","authors":"Jamuna K. Vaishnav,&nbsp; and ,&nbsp;Yingxi Zhu*,&nbsp;","doi":"10.1021/acsaom.4c0047610.1021/acsaom.4c00476","DOIUrl":"https://doi.org/10.1021/acsaom.4c00476https://doi.org/10.1021/acsaom.4c00476","url":null,"abstract":"<p >Luminescent nanofibers have emerged popularly in our contemporary scientific community because of their potential applications in developing flexible displays, smart wearable fabrics, and fluorescent printing. However, incorporating luminescent materials, such as inorganic and organic fluorophores, into polymeric fibers remains practically challenging. Here, we have investigated a facile and rapid alternating current (AC)-electrospinning process to fabricate luminescent, flexible, and ultralong fibers through multicomponent complex coacervates of poly(ethylene glycol) (PEG)-capped cadmium telluride quantum dots (CdTe QDs) and poly(acrylic acid) (PAA). Polymer–QD composite fibers of diameter ranging from approximately 0.6–1.5 μm can be effectively controlled by electrospun jets by varying the applied AC-voltage and frequency. Fluorescence microscopic characterization of the resulting nanofibers confirms the bright and homogeneous luminescence of the integrated CdTe QDs, indicating their uniform distribution along the entire length of the nanofibers. This study showcases the exploitation of multicomponent complex coacervates to assimilate highly photostable QDs in flexible polymeric nanofibers for broad biomedical and nanotechnological applications.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"656–663 656–663"},"PeriodicalIF":0.0,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Visible-Light Excited Multicolor Room Temperature Phosphorescence of Boron and Nitrogen Co-Doped Carbon Dots 可见光激发硼氮共掺杂碳点的室温多色磷光
ACS Applied Optical Materials Pub Date : 2025-03-04 DOI: 10.1021/acsaom.4c0051610.1021/acsaom.4c00516
Wenwen Lin, Yu Wei, Min Feng, Chao Li, Baorui Zhang*, Jun Kang, Wendi Liu* and Shanyue Guan*, 
{"title":"Visible-Light Excited Multicolor Room Temperature Phosphorescence of Boron and Nitrogen Co-Doped Carbon Dots","authors":"Wenwen Lin,&nbsp;Yu Wei,&nbsp;Min Feng,&nbsp;Chao Li,&nbsp;Baorui Zhang*,&nbsp;Jun Kang,&nbsp;Wendi Liu* and Shanyue Guan*,&nbsp;","doi":"10.1021/acsaom.4c0051610.1021/acsaom.4c00516","DOIUrl":"https://doi.org/10.1021/acsaom.4c00516https://doi.org/10.1021/acsaom.4c00516","url":null,"abstract":"<p >Recently, room temperature phosphorescence (RTP) materials have drawn considerable attention owing to their extended emission lifetime, substantial Stokes shift, heightened environmental sensitivity, etc. Carbon dots (CDs) are RTP material candidates that possess outstanding optical stability, good water solubility, nontoxic nature, and facile functionalization. Herein, we developed a simple and rapid method for preparing heteroatom-doped RTP CDs and regulating their luminescent properties via controlling the doping element and structure. The obtained CDs can be excited by both ultraviolet and visible light. An obvious improvement in RTP lifetime and yield as well as modulation of emission wavelength can be achieved. The maximum lifetime of the obtained RTP CDs reaches 754.05 ms, with a phosphorescence quantum yield of 16.78%, and the emission wavelength of RTP can be effectively controlled from cyan to yellow. These outstanding properties ensure their utilization in areas like information encryption and anticounterfeiting.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"712–719 712–719"},"PeriodicalIF":0.0,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polarization-Sensitive Long-Wavelength Infrared Narrowband Thermal Emitter for Anticounterfeiting 用于防伪的偏振敏感长波红外窄带热发射器
ACS Applied Optical Materials Pub Date : 2025-03-03 DOI: 10.1021/acsaom.5c0002410.1021/acsaom.5c00024
Zhengji Wen*, Xuan Zhang, Pengfei Wang, Feng Huang*, Zhengai Chen, Qingzi Li, Xuyang Zhang, Liang Pan, Yu Bu, Ning Dai and Yuchuan Shao*, 
{"title":"Polarization-Sensitive Long-Wavelength Infrared Narrowband Thermal Emitter for Anticounterfeiting","authors":"Zhengji Wen*,&nbsp;Xuan Zhang,&nbsp;Pengfei Wang,&nbsp;Feng Huang*,&nbsp;Zhengai Chen,&nbsp;Qingzi Li,&nbsp;Xuyang Zhang,&nbsp;Liang Pan,&nbsp;Yu Bu,&nbsp;Ning Dai and Yuchuan Shao*,&nbsp;","doi":"10.1021/acsaom.5c0002410.1021/acsaom.5c00024","DOIUrl":"https://doi.org/10.1021/acsaom.5c00024https://doi.org/10.1021/acsaom.5c00024","url":null,"abstract":"<p >Tailoring the wavelength, bandwidth, directionality, and polarization of thermal radiation is critical for various applications like infrared camouflage, radiative cooling, and gas sensing. In this work, we present a deep-subwavelength bilayer structure that serves as a long-wavelength infrared (LWIR) narrow-band thermal emitter with polarization selectivity. The proposed LWIR thermal emitter basically consists of a tungsten oxide (WO<sub>3</sub>) polar dielectric layer upon an opaque gold (Au) ground plane. Transfer matrix method (TMM) calculations are employed to analytically investigate the optical responses of the thermal emitter. Leveraging the Berreman mode near longitudinal optical (LO) phonon energy of WO<sub>3</sub>, the thermal emitter experimentally realizes high absorption (97.6%) for the TM-polarized state and low absorption (4.2%) for the TE-polarized state (at an incident angle of 60° and a wavelength of 10.12 μm), which shows good agreement with theoretical results. Such excellent polarization-sensitive performance makes our LWIR thermal emitter very promising for optical security features, information encryption, and anticounterfeiting.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"764–771 764–771"},"PeriodicalIF":0.0,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical Design of L8-Core-Based Molecules by Stepwise Molecular Engineering of Non-Fullerene Acceptors 非富勒烯受体逐步分子工程的l8核基分子理论设计
ACS Applied Optical Materials Pub Date : 2025-03-01 DOI: 10.1021/acsaom.4c0053310.1021/acsaom.4c00533
Qing Wu, Zixu Huang, Aokui Sun, Yong Xia* and Yi Chen*, 
{"title":"Theoretical Design of L8-Core-Based Molecules by Stepwise Molecular Engineering of Non-Fullerene Acceptors","authors":"Qing Wu,&nbsp;Zixu Huang,&nbsp;Aokui Sun,&nbsp;Yong Xia* and Yi Chen*,&nbsp;","doi":"10.1021/acsaom.4c0053310.1021/acsaom.4c00533","DOIUrl":"https://doi.org/10.1021/acsaom.4c00533https://doi.org/10.1021/acsaom.4c00533","url":null,"abstract":"<p >L8-core, as the central core of L8-Ph, which is a promising A-DA′D-A type non-fullerene acceptor (NFA), has been reported for its excellent photoelectric properties, such as good fill factor and high power conversion efficiency. In order to further explore the photovoltaic performance of L8-core-based molecules, an efficient and useful stepwise molecular engineering strategy was adopted for molecular design. In this article, a series of acceptors were designed via this strategy, and density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to calculate their geometrical structures, frontier molecular orbitals, absorption spectrum, and other important parameters. Significantly, among the newly designed molecules, L8Se-Ph and L8Se-Ph-4Cl demonstrate superior photovoltaic performance, with energy levels and light absorption spectra comparable to or surpassing those of L8-Ph. Although L10-Ph, L10Se-Ph, and L10Se-Ph-4Cl exhibit slightly inferior higher electron affinities and lower ionization potentials, they suggest that targeted modifications could enhance their photovoltaic properties, rendering them promising candidates for further optimization as photovoltaic materials.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 3","pages":"743–755 743–755"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal Engineering-Based Approach to Introduce Mechanical Compliance in a Series of Highly Luminescent Substituted Distyrylbenzenes 基于晶体工程的方法引入一系列高发光取代二苯基苯的机械顺应性
ACS Applied Optical Materials Pub Date : 2025-02-27 DOI: 10.1021/acsaom.5c0004910.1021/acsaom.5c00049
Nabadeep Kalita, Kalyan Jyoti Kalita, Silpi S. Borah, Horst Puschmann*, Naba K. Nath* and Ranjit Thakuria*, 
{"title":"Crystal Engineering-Based Approach to Introduce Mechanical Compliance in a Series of Highly Luminescent Substituted Distyrylbenzenes","authors":"Nabadeep Kalita,&nbsp;Kalyan Jyoti Kalita,&nbsp;Silpi S. Borah,&nbsp;Horst Puschmann*,&nbsp;Naba K. Nath* and Ranjit Thakuria*,&nbsp;","doi":"10.1021/acsaom.5c0004910.1021/acsaom.5c00049","DOIUrl":"https://doi.org/10.1021/acsaom.5c00049https://doi.org/10.1021/acsaom.5c00049","url":null,"abstract":"<p >Mechanically compliant adaptive molecular crystals have recently attracted considerable attention because of their distinctive properties and potential applications across various fields. Nonetheless, the fundamental understanding and practical use of these materials are in the early stages of development. Integrating such mechanical compliance, such as flexibility and self-healing properties, into functional organic crystals is a promising area of research that can enhance their practical applications and durability in optoelectronics, sensors, and other technologies. This study presents a comprehensive analysis of the mechanical and photophysical properties of cyano-substituted distyrylbenzene derivatives, specifically, α-PDN-1, α-PDN-2, α-PDN-3, and polymorphic α-PDN-4. These compounds are characterized by their unique “twist elasticity,” resulting from changes in torsional coordinates due to substituent effects. While isostructural α-PDN-1, α-PDN-2, and α-PDN-3 exhibit a brittle nature, the α-PDN-4 polymorph stands out due to its mechanical compliance. Our structure and mechano-optical investigation reveal that the isostructural compounds maintain similar conformational rigidity and packing arrangements, leading to brittle mechanical behavior. In contrast, α-PDN-4’s distinct structural and mechanical properties highlight the influence of substituents on molecular packing and mechanical compliance. This study underscores the potential of cyano-substituted distyrylbenzenes in the development of mechanically adaptive optical materials, paving the way for future applications in flexible optoelectronic devices.</p>","PeriodicalId":29803,"journal":{"name":"ACS Applied Optical Materials","volume":"3 5","pages":"1078–1087 1078–1087"},"PeriodicalIF":0.0,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144114737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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