Organic Photonics + Electronics最新文献

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Investigation of amylose and tailored amylose matrices for scavenging iodide 直链淀粉和定制直链淀粉基质清除碘的研究
Organic Photonics + Electronics Pub Date : 2023-10-05 DOI: 10.1117/12.2676276
Jinghuai Dou, D. Sato, Juno Son, Qi-hu Liu, J. Lindsey
{"title":"Investigation of amylose and tailored amylose matrices for scavenging iodide","authors":"Jinghuai Dou, D. Sato, Juno Son, Qi-hu Liu, J. Lindsey","doi":"10.1117/12.2676276","DOIUrl":"https://doi.org/10.1117/12.2676276","url":null,"abstract":"It has been known for two centuries that starch turns blue upon exposure to iodine as well as iodine and iodide. Starch contains branched-chain polysaccharides (amylopectin) and linear polysaccharides (amylose), the latter a linear polymer of a-D-glucose units joined by a (see manuscript PDF for symbol) linkages. Amylose forms a linear helix with 6 a-D-glucose units per turn (i.e., one “amylose ring”) and one iodide atom bound maximally per turn. Despite extensive work, suitable quantitative data of iodide–amylose binding seemed surprisingly scarce. To fill an apparent lacuna, examination of the intrinsic binding affinity of amylose for iodide (with measurement of “blue values” by absorption spectroscopy) via a factorial design (grid) study showed that >70% occupancy of amylose occurs with [iodide] in the range 0.05 – 0.5 mM and [amylose rings] in the range 0.3 – 1 mM. The required concentrations of both species set limits on possible applications. The incorporation of multiple amylose molecules into matrices was examined by reductive amination of the aldehyde terminus with an amine bearing a cross-linkable group. Subsequent cross-linking afforded molecular architectures albeit in quite low yield. A challenge in this domain concerns purification and characterization of synthetic products. The stability of amylose toward degradation by amylase enzymes was examined in the presence of amylase inhibitors. Taken together, the work establishes the foundation and prospective limits for use of amylose for scavenging iodide.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121804965","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
Chemiluminescent detection of nucleic acids induced by peroxidase-like targeted DNA-nanomachines (PxDm) mixed with plasmonic nanoparticles 等离子体纳米粒子混合过氧化物酶样靶向dna纳米机器(PxDm)诱导核酸的化学发光检测
Organic Photonics + Electronics Pub Date : 2023-10-05 DOI: 10.1117/12.2676447
D. A. Gorbenko, P. Filatov, D. Dadadzhanov, K. Kirichek, M. Berezovskaya, T. Vartanyan
{"title":"Chemiluminescent detection of nucleic acids induced by peroxidase-like targeted DNA-nanomachines (PxDm) mixed with plasmonic nanoparticles","authors":"D. A. Gorbenko, P. Filatov, D. Dadadzhanov, K. Kirichek, M. Berezovskaya, T. Vartanyan","doi":"10.1117/12.2676447","DOIUrl":"https://doi.org/10.1117/12.2676447","url":null,"abstract":"One of the most critical issues in the field of molecular diagnostics and medicine is the development of compact and sensitive assay devices for the precise detection of nucleic acids. Although there are several effective methods for detecting unique nucleic acid sequences, the high cost of equipment and reagents, as well as the need for highly trained personnel, necessitate the design of new and more affordable diagnostic assays that are comparable in selectivity and sensitivity to existing methods that can be used in developing countries and/or outside of specialized diagnostic laboratories. Sensing methods based on guanine quadruplexes (G-4)/hemin complexes, that have peroxidase activity are one of the promising directions for the detection of target nucleic acids. Target nucleic acid was analyzed by peroxidase-like DNA-nanomachine (PxDm) equipped with 1-3 long analyte binding arms to tightly bind and unwind single-stranded analytes. In this study, we present a technique for sequence-specific detection of nucleic acid. The technique is based on the measuring of a chemiluminescent (CL) emission induced by luminol oxidation utilizing a closed-type detection device. Moreover, the optical properties and potential use of plasmonic silver nanoparticles (Ag NPs) to enhance the CL intensity of chemiluminophore were investigated. Particular attention was paid to the possibility of synthesizing the silver nanoparticles with different spectral positions of plasmon resonance band, depending on the method and duration of synthesis. The CL intensity of luminol in the presence of the post-centrifuged colloidal Ag NPs obtained by laser ablation has been increased 3 times. The combination of AgNPs-luminol-DNA-nanomachine systems in the presence of a target analyte led to the significant increase of limit of detection and reached clinically relevant quantitative indications.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124456924","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
Effect of reaction temperature on CsPbBr3 perovskite quantum dots with photovoltaic applications 反应温度对光电应用CsPbBr3钙钛矿量子点的影响
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2676826
H. O. Ramírez-Ferreira, Ma. del Socorro Aguilar, I. Zarazúa, H. Desirena, A. Herrera-Rodríguez, T. López-Luke
{"title":"Effect of reaction temperature on CsPbBr3 perovskite quantum dots with photovoltaic applications","authors":"H. O. Ramírez-Ferreira, Ma. del Socorro Aguilar, I. Zarazúa, H. Desirena, A. Herrera-Rodríguez, T. López-Luke","doi":"10.1117/12.2676826","DOIUrl":"https://doi.org/10.1117/12.2676826","url":null,"abstract":"Solar energy has been relevant in recent years as a renewable source. On one side, halide perovskites have played an essential role as semiconductors with photovoltaic applications. This work studied the effect of reaction temperature on the synthesis of CsPbBr3 perovskite quantum dots (PQDs) by the hot injection method. In this case, CsPbBr3 PQDs are very stable compared to other halide perovskites. The XRD analysis indicated three crystalline phases were obtained: cubic of CsPbBr3, orthorhombic, and rhombohedral of Cs4PbBr6. At a temperature of 130 °C, the cubic phase predominates at 57%. When the temperature increases to 155 and 180 °C, the cubic phase is obtained to a lesser extent, with 33% and 10%, respectively, and the orthorhombic and rhombohedral phases increase. SEM reveals that particle size increased from 8 to 36 nm due to the reaction temperature. The UV-vis results showed that the absorption spectra had a redshift of the visible spectrum from an absorption band from 487 to 514 and 522 nm. Likewise, the PL spectra demonstrate a peak of 501 to 517 and 515 nm as a function of temperature increase, where the calculated Full Width at Half Maximum (FWHM) indicates the purity of the color emitted. Tauc plots of the CsPbBr3 PQDs showed band gap energies between 1.64 to 2.37 eV, which means these PQDs are interesting in photovoltaics. On the other hand, solar cells were fabricated using CsPbBr3 PQDs, with the following architecture: FTO/c-TiO2/m-TiO2/PQDs/spiro-OMeTAD/Ag. The photovoltaic parameters were determined, obtaining with Jsc (4.10·10-6 mA·cm-2), Voc (0.434 V), FF (30.56%), and PCE (5·10-4 %). In conclusion, the obtained PVs indicated the charge transport within the solar device in ambient conditions.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"47 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"120925895","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
Impact of Bi doping on the structural and optical properties of the lead-free double perovskites (Cs2SnCl6:Bi3+) for optoelectronic applications Bi掺杂对光电用无铅双钙钛矿(Cs2SnCl6:Bi3+)结构和光学性能的影响
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2677960
Ajay Kumar, N. Sharma, R. Saha, Samishta Choudhary, S. Chakrabarti
{"title":"Impact of Bi doping on the structural and optical properties of the lead-free double perovskites (Cs2SnCl6:Bi3+) for optoelectronic applications","authors":"Ajay Kumar, N. Sharma, R. Saha, Samishta Choudhary, S. Chakrabarti","doi":"10.1117/12.2677960","DOIUrl":"https://doi.org/10.1117/12.2677960","url":null,"abstract":"The lead-free halide-based double perovskites (Cs2SnCl6) have gained much attention due to its promising optoelectronic properties, non-toxic nature, and relatively better stability as compared to lead-based perovskites. In the current work, the cost-effective hydrothermal method is employed to synthesize the Bi-doped double perovskite material. Here, systematic incorporation of Bi3+ in Cs2SnCl6 nanocrystal is highly essential to improve the optoelectronic properties and modulate the luminescence. Here, Bi3+ is used as a dopant for host-Cs2SnCl6 nanocrystal and as-synthesis material preserves its cubic structures up to a certain amount of Sn4+ replacement by Bi3+. Such doped and as-synthesized perovskites are characterized in detail by using photoluminescence (PL), Ultraviolet (UV-Vis) spectroscopy, and X-ray diffraction (XRD). The PL results show that luminescence peaks around 393 nm are shifted towards the higher wavelength (lower energy) after the appropriate doping of Bi in double perovskite. The UV-Vis spectroscopy exhibits the absorption edge of the as-synthesize and Bi-doped perovskites around ~310 nm and a slight shift is observed after Bi incorporation as compared to the as-synthesized one. Also, bandgap of such perovskites lies in the range of 3.28 eV–3.62 eV. The XRD results demonstrate the diffraction peaks of the Cs2SnCl6 double perovskites at 14.55°, 24.27°, and 29.03°, which originated from the planes of (111), (220), (222) respectively. Finally, chromaticity plots (obtained from the PL) confirm the enhancement of blue luminescence due to the Bi-incorporation. Therefore, all the results confirm that highly stable Bi-doped Cs2SnCl6 perovskites can be a suitable candidate for fabricating several wavelength-tuneable optoelectronic devices.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128482897","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
Extremely high pixel density color conversion micro-LED displays with high efficiency and wide color gamut coverage 极高像素密度的彩色转换微型led显示屏,具有高效率和宽色域覆盖
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2675870
Jian-Hong Lin, Yen-Chia Cheng, Shan-Yu Chen, Chih-Yuan Tsai, Chen-Hsun Wu, Chi-Shiang Chen, Ching-Fuh Lin
{"title":"Extremely high pixel density color conversion micro-LED displays with high efficiency and wide color gamut coverage","authors":"Jian-Hong Lin, Yen-Chia Cheng, Shan-Yu Chen, Chih-Yuan Tsai, Chen-Hsun Wu, Chi-Shiang Chen, Ching-Fuh Lin","doi":"10.1117/12.2675870","DOIUrl":"https://doi.org/10.1117/12.2675870","url":null,"abstract":"With the vigorous development of display technology, micro light-emitting diode (Micro-LED) display has become the most potential technology in the future. Its characteristics include high resolution, long life, wide color gamut, high contrast, fast response, small pixel size and low power consumption. The technical bottleneck of Micro-LED display is the mass transfer, so we use semiconductor lithography process to replace it for much lower cost and higher production speed. We propose color conversion technology to achieve higher efficiency and light intensity than mass transfer. In this study, we used a waterproof and viscous organic material Polyvinyl Butyral Resin (PVB) as the main material to synthesize rare-earth-free color conversion luminescent materials, which contain 4-(dicyanomethylene)-2-tert-butyl-6- (1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran (DCJTB) for red light and 3-(2-Benzothiazolyl)-7-(diethylamino) coumarin (Coumarin 6) for green light with very high quantum yield (~90%). Through semiconductor process technology, we have realized the fabrication of extremely small size 4μm × 4μm display arrays. The single-color pixel density can reach 5080 pixels per inch (PPI), and the full-color pixel density reaches up to 2540 PPI, with a display color gamut covering approximately 92.3% of the digital cinema initiatives - protocol 3 (DCI-P3) standard. This research achievement offers a promising technique for manufacturing the next generation of Micro-LED displays with extremely high PPI. These advancements in display technology bring tremendous potential for various applications, ranging from consumer electronics products to augmented reality and beyond.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"150 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123219921","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
Selection of hole transport layer for Pb-Sn binary perovskite solar cells 铅锡二元钙钛矿太阳能电池空穴传输层的选择
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2678004
C. Howlader, W. Geerts, Maggie Chen
{"title":"Selection of hole transport layer for Pb-Sn binary perovskite solar cells","authors":"C. Howlader, W. Geerts, Maggie Chen","doi":"10.1117/12.2678004","DOIUrl":"https://doi.org/10.1117/12.2678004","url":null,"abstract":"Hole transport layers (HTLs) have a significant role in the performance of organic and organic-inorganic solar cells. In this experiment, we have investigated HTLs for Pb-Sn binary perovskite solar cells (PSCs) to maximize the power conversion efficiency (PCE). CuI, PTAA, and PEDOT:PSS were chosen as HTLs to fabricate the MAPb0.75Sn0.25(I0.50Br0.50)3 perovskite solar cells. The solar cells were fabricated using an inverted p-i-n structure where we used ITO/HTL/Perovskite/C60/BCP/Al materials stack. For PSCs containing CuI, PTAA and PEDOT:PSS as HTL, we obtained the PCE of 3.81%, 3.11 and 6.5%, respectively, with unchanged other experimental condition. Also, PEDOT:PSS HTL-based solar cells deliver higher short circuit current of 16.37 mA/cm2 compared to CuI and PTAA HTL based binary perovskite solar cells. For these binary PSCs, PEDOT:PSS is the best choice to maximize power conversion efficiency.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123708120","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
2D modeling of perovskite/Si tandem solar cell 钙钛矿/硅串联太阳能电池的二维建模
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2680269
Yegao Xiao, M. Lestrade, Zhiqiang Li, Zhanming S. Li
{"title":"2D modeling of perovskite/Si tandem solar cell","authors":"Yegao Xiao, M. Lestrade, Zhiqiang Li, Zhanming S. Li","doi":"10.1117/12.2680269","DOIUrl":"https://doi.org/10.1117/12.2680269","url":null,"abstract":"Based on a drift-diffusion simulator, 2D modeling of perovskite/Si tandem solar cell with tunnel junction is presented in this work. Current matching is explored between the two sub-cells. It is demonstrated that the basic tandem cell can achieve conversion efficiency as high as 28.27% with open-circuit voltage and short-circuit current density as 2.04 V and 16.18 mA/cm2 , respectively. As approaches for cell design optimization, the results are also analyzed versus the thickness and the minority carrier recombination lifetime of the perovskite layer. Efforts to incorporate coating, to consider texture effect for the bottom Si cell as well as to look for alternative electron transport layer for the top junction are also performed, presented and discussed. Efficiency as high as 36.40% is further projected.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"105 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131161143","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
Synthesis and characterization of cesium europium chloride bromide lead-free Perovskite nanocrystals 氯化铕-溴化铯无铅钙钛矿纳米晶的合成与表征
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2678065
E. Reyes, H. E. Sánchez-Godoy, Diego Esparza, Haggeo Desinera, J. Espino-Valencia, A. Herrera-Rodríguez, T. López-Luke
{"title":"Synthesis and characterization of cesium europium chloride bromide lead-free Perovskite nanocrystals","authors":"E. Reyes, H. E. Sánchez-Godoy, Diego Esparza, Haggeo Desinera, J. Espino-Valencia, A. Herrera-Rodríguez, T. López-Luke","doi":"10.1117/12.2678065","DOIUrl":"https://doi.org/10.1117/12.2678065","url":null,"abstract":"Due to the high toxicity of lead, research on new lead-free perovskite semiconductor materials with suitable optical and electronic properties has been of great interest. For this reason, rare earth halide perovskites are a promising class of materials for this purpose. Here, cesium europium bromide chloride (CsEu(ClxBr1−x)3 ) perovskite nanocrystals (NCs) with Eu2+ in the B site were successfully synthesized by a hot colloidal injection method. Different proportions of the molar ratio Cs:Eu were proposed in order to enhance the optical properties to promote a deep blue emission. High resolution TEM (HRTEM) revealed that the resulting nanoparticles were spherical shaped with an average diameter of ~ 10 nm. The electronic absorption spectra show bands peaked around 380 nm. The photoluminescence (PL) spectra of NCs excited at 393 nm exhibit bands peaked at 453 nm, 590 nm, 615 nm, and 697 nm. These PL peaks coincide with the emission of Eu3+ and Eu2+, covering the entire emission spectrum. PL spectra shows that Eu2+ induces a slight broadening in the full width at half maximum (FWHM) when higher concentration ratio is used. Moreover, the PL results shows a change in the intensity of the 615 nm peak which implies that with further introduction of Eu2+ into the lattice, changes in radiative and non-radiative recombination are obtained. This work shows that the Europium based Lead-free perovskite nanocrystals are a promising candidate for optoelectronic devices.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114439484","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
Secondary ion mass spectrometry study of organic and inorganic interfaces in methylammonium lead triiodide solar cells 三碘化甲基铵铅太阳能电池中有机和无机界面的二次离子质谱研究
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2676764
Beatriz Montaño, José Juan Díaz, Y. Kudriavtsev, I. Cosme, S. Mansurova
{"title":"Secondary ion mass spectrometry study of organic and inorganic interfaces in methylammonium lead triiodide solar cells","authors":"Beatriz Montaño, José Juan Díaz, Y. Kudriavtsev, I. Cosme, S. Mansurova","doi":"10.1117/12.2676764","DOIUrl":"https://doi.org/10.1117/12.2676764","url":null,"abstract":"The study of unstable interfaces in perovskite semiconductors requires crucial information on interfacial composition, chemical gradients, and impurity distribution. A versatile technique called TOF-SIMS can provide this information effectively. Solar cells employing methylammonium lead triiodide as the photoactive layer were fabricated, utilizing PEDOT:PSS or NiOx thin film as the hole transporting layer, and PCBM plus ZnO as the electron transporting layer. These inorganic and organic layers were deposited through magnetron sputtering and solution processing, respectively. To comprehensively examine each interface within the device structure, a detailed TOF-SIMS study was conducted.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130512217","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
Hole transport materials for QLEDs: a combined approach of machine learning and atomistic simulation qled的空穴传输材料:机器学习和原子模拟的结合方法
Organic Photonics + Electronics Pub Date : 2023-10-01 DOI: 10.1117/12.2675778
H. Abroshan, Shaun H. Kwak, Anand Chandrasekaran, A. Chew, Alexandr Fonari, M. Halls
{"title":"Hole transport materials for QLEDs: a combined approach of machine learning and atomistic simulation","authors":"H. Abroshan, Shaun H. Kwak, Anand Chandrasekaran, A. Chew, Alexandr Fonari, M. Halls","doi":"10.1117/12.2675778","DOIUrl":"https://doi.org/10.1117/12.2675778","url":null,"abstract":"QLEDs have emerged as an alternative for optoelectronic applications. However, for widespread application of QLEDs, the device efficiency is required to be improved. There is a significant energy level mismatch between the valence band of commonly used quantum dots (QDs) and the HOMO level of traditional hole transport materials (HTMs). Given the small energy level mismatch between the conduction bands of the QDs and commercial electron transport materials, charge carriers in the light-emitting layer are imbalanced. Such a charge imbalance decreases the efficiency of QLED devices, and thus it is of great importance to design novel HTL materials with small energy mismatch with the QDs. Given the numerous potential molecules in the organic space, employing expensive and time-consuming approaches based on chemical intuition and trial-and-error experimentation is practically ineffective. Thus, realizing next-generation QLEDs technologies requires a paradigm change in materials design and development. Here, we combine active learning (AL) and high-throughput quantum mechanical calculations as a novel strategy to efficiently navigate the search space in a large materials library. The AL enables a systematic material screening by accounting multiple optoelectronic properties while minimizing the number of calculations. We further evaluated the top candidates using atomistic simulations and machine learning to investigate charge mobility and thermal stability in their amorphous films. This work offers guidelines for efficient computational screening of materials for QLEDs, reducing laborious, time-consuming, and expensive computer simulations, materials synthesis, and device fabrication.","PeriodicalId":145218,"journal":{"name":"Organic Photonics + Electronics","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124504041","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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