ECS Meeting Abstracts最新文献

{"title":"Silver-Based Supportless Membrane Electrode Assemblies for Electrochemical CO₂ Reduction","authors":"Lydia Weseler, Marco Löffelholz, Jens Osiewacz, Thomas Turek","doi":"10.1149/ma2023-01282763mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01282763mtgabs","url":null,"abstract":"CO 2 is one of the major contributors to the emission of greenhouse gases boosting climate change. Meanwhile, renewable energy production is fluctuating due to weather conditions, demanding for appropriate storage, e. g. by Power-to-X technology. The first step of these processes, the production of hydrogen via water electrolysis, is typically linked to a second step to obtain hydrocarbons [1]. Meanwhile, electrochemical CO 2 reduction (eCO 2 R) is capable of generating chemical feedstocks by converting excess CO 2 , simultaneously using renewable energy sources during peak times. A promising pathway of eCO 2 R focuses on CO, as it can be produced with high selectivity at silver catalysts, concurrently generating hydrogen as the only byproduct [2]. To partly overcome the mass transport limitations resulting from the very limited solubility of CO 2 in aqueous electrolytes, gas diffusion electrodes (GDEs) are typically used for eCO 2 R in a three-chamber setup with anolyte, catholyte and separate gas compartment [3]. However, there are still considerable overpotentials in this setup, among others caused by ohmic losses such as the electrolyte resistance. Employing membrane electrode assemblies (MEAs), either both electrodes or one of them can be combined with the membrane to form a full- or half-MEA, respectively, resulting in a significant decrease in cell voltage. Although there have already been studies on the fabrication of MEAs employing silver catalysts for eCO 2 R [4, 5], they are still very limited in options and mostly based on carbon gas diffusion layers (GDLs). The manufacturing approach applied in this work is based on a catalyst ink recipe for sintered silver GDEs originally developed for chlor-alkali electrolysis by Moussallem et al. [6]. Instead of using Nickel mesh as a substrate, the suspension is spray-coated on a stainless steel plate to enable the required treatment at temperatures above 300 °C. Afterwards, the catalyst layer is hot-pressed on the prepared anion exchange membrane at more moderate temperatures, forming a supportless cathodic half-MEA. Resulting from variations in the manufacturing procedure, different MEAs are electrochemically characterized, examining Faradaic efficiencies as well as cell voltages, also in comparison to measurements performed in three-chamber setup. Addressing challenges in product efficiency and membrane degradation, it is shown that this type of MEA is capable of eCO 2 R to CO, already reducing the cell potential at elevated current densities by nearly 50 %, see fig. 1. [1] Tom Kober et al. Report: perspectives of power-to-X technologies in Switzerland: supplementary report to the white paper . en. Technical report. 2019. doi: 10.3929/ETHZ-B-000525806. [2] Yoshio Hori et al. “Electrocatalytic process of CO selectivity in electrochemical reduction of CO 2 at metal electrodes in aqueous media”. Electrochimica Acta , 39 (11-12), (1994), 1833–1839. [3] Thomas Burdyny and Wilson A. Smith. “CO 2 red","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089458","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}

{"title":"Electric-Double-Layer (EDL)-Gated FET Aptasensors for Highly Sensitive MMP7 Detection","authors":"Chia Kai Lin, Chia-Che Wu, Akhil Kavanal Paulose, Yueh-Ju Hou, Chee-Seng Lee, Heuy-Ling Chen, Yu-Lin Wang","doi":"10.1149/ma2023-01341921mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01341921mtgabs","url":null,"abstract":"ABSTRACT Biliary Atresia (BA) is a severe liver disease that affects newborns. This disease may cause cholestasis and progressive hepatic failure or even death if not treated immediately. ELISA blood tests for metabolic screening are the current method of diagnosing BA. However, newborns need rapid BA detection for treatment in the future. The increased matrix metalloproteinase-7 (MMP7) cause BA-related liver fibrosis and newborns diagnosed with BA show higher MMP7 levels than those diagnosed with cholestasis. Several platforms have been developed for the fast detection of Biliary Atresia (BA). Here, we developed an electric-double-layer (EDL)-gated field-effect transistor (FET) platform for Biliary Atresia (BA) detection. The core idea of this sensor array is to use a uniquely designed DNA probe to capture MMP7 proteins and monitor the change in drain current caused by the target capturing. Different concentrations of MMP7 spiked and tested over a functionalized sensor. The simple and cost-effective fabrication and ease of use make this sensor a promising tool as a point care detection device. Keywords: EDL, FET, Biliary atresia, MMP7, Biosensors INTRODUCTION Due to the symptomatic similarity to cholestatic liver diseases, it is challenging to diagnose a precise BA for newborns. False diagnosis may delay timely treatment (e.g., surgery) and worsens the prognosis. However, BA's underlying causes are still unclear. A level increase of intrahepatic matrix metalloproteinase-7 (MMP7) signifies BA-related liver fibrosis. BA cases found in newborns revealed higher MMP7 levels than cholestasis. MMP7 is a protease that contributes to tissue remodeling and breaks down extracellular matrix through a signal pathway. Based on the clinical results, MMP7 has emerged as a novel biomarker for BA diagnosis. ELISA was employed as the current method for detecting Biliary Atresia (BA). However, the procedure of ELISA has shortcomings, such as being time-consuming, high cost, and complicated operation. Hence, rapid and precise diagnostic methods need to be developed. In this work, we propose to detect MMP7 proteins using an electric-double-layer (EDL)-gated field-effect transistor (FET). As shown in Figure 1, The aptamer of MMP7 was immobilized on sensor electrodes, allowing a binding with the protein. As the number of the captured analytes increases; the sensor signals, amplified by a FET, will respond to it. As such, we look forward to detecting MMP7 in serum samples collected from newborns and helping the clinical diagnostics by this EDL-gated FET biosensor. MATERIALS AND METHODS An extended gate chip was employed in the sensor array. The electrode surface was cleaned using oxygen plasma, following which, the probe was immobilized on it. The MMP7 aptamer is mixed with TCEP for 30 minutes at room temperature, TCEP was used as a reducing agent which helps in the formation of dithiol bonds (SS), making the attachment of the probe easier. The mixture solution is then ","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"37 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089462","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}

{"title":"Consideration of Improved Adhesion of Direct Copper Seed Layer by Medium-Vacuum Sputtering Using Vacuum Ultraviolet Light","authors":"Shinichi Endo, Akihiro Shimizu, Hiroyuki Ueyama, Kazuhiro Fukada, Yuta Kashiwagi, Hirosuke Takamatsu, Kiyoaki Hashimoto, Ryotaro Takahashi","doi":"10.1149/ma2023-01301811mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01301811mtgabs","url":null,"abstract":"A sputtering method is used to form the seed layer for copper electric plating. In general, copper spatter has weak adhesion to resin, so titanium spatter is combined to increase the adhesion strength. However, etching in the lithography process requires two types of processes, titanium and copper metal. We have reported the improvement of adhesion of copper sputter to glass epoxy resin by medium vacuum sputtering equipment in 242nd ECS meeting. Adhesion strength was improved by performing vacuum ultraviolet treatment as a pretreatment for medium-vacuum sputtering. We discovered the relationship between the hydroxyl groups on the resin surface and the adhesion force by the chemical modification XPS method. Furthermore, by XPS analysis of the peeled copper interface, the adhesion mechanism between the resin and copper due to UV irradiation was estimated. We evaluated the absorption properties in the vacuum ultraviolet region of a thinly processed glass epoxy resin. We investigated the behavior of functional groups at the interface and considered the effect of vacuum ultraviolet rays in the depth direction.","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089544","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}

{"title":"Fabrication of Aptamer-based Field Effect Transistor Sensors for Detecting Mercury Ions","authors":"Yu-Lin Wang, Guan-Cheng Zeng, Chun-Ta Lee, Chia Kai Lin, Tzu-Han Kuo, Akhil K Paulose, Zong-Hong Lin, Sheng-Chun Hung","doi":"10.1149/ma2023-01341949mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01341949mtgabs","url":null,"abstract":"With the rapid development of industry, the pollution of the environment is becoming more and more serious. Among them, water pollution is one of the most serious problems, and polluted water sources often contain heavy metal ions such as mercury, chromium, lead, chromium, arsenic, etc. Which in turn affect our irrigation, breeding, food, and drinking, and finally cause physical harm. Mercury is still widely used today. For example, mercury and mercury compounds are used as catalysts in the plastics industry. Mercury is still widely used today. For example, mercury and mercury compounds are used as catalysts in the plastics industry. Some toxic pesticides also contain mercury. Mercury is used in daily life in fluorescent lamps, batteries, thermometers, medical amalgams, etc. Mercury pollution can be divided into two categories: organic mercury and inorganic mercury. Prolonged exposure to mercury can cause paralysis and a progressive loss of sense of touch, sight, hearing, or taste. Other more common neurological symptoms include memory and balance impairment, insomnia, hand tremors, and behavioral disturbances. Detecting the mercury content in water usually requires large-scale laboratory instruments for measurement, costing a lot of money and time. In this study, a specific aptamer is combined with a field-effect transistor to form an aptamer field-effect transistor by utilizing the properties of thymine-Hg(II)-thymine (T-Hg(II)-T) coordination chemical bonds. A highly selective and sensitive mercury ion sensor was achieved by using N-channel depletion-mode MOSFETs with APTAMER-modified gates. For the Aptamer-modified FET sensor, a detection limit of 0.2 PPM was achieved using a 500 μM × 500 μM gate sensing area. Biosensors realize reduced size, shorter detection speeds, cost savings, and high detection of limit sensors. Therefore, the determination of heavy metal ions in the environment by simple and easy-to-use instruments is of great significance for disease prevention. Figure 1","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089548","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}

{"title":"Panel - the IE&EE Division at 80","authors":"Paul Kenis, Maria Inman","doi":"10.1149/ma2023-01241612mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01241612mtgabs","url":null,"abstract":"The Industrial Electrochemistry and Electrochemical Engineering (IE&EE) division was established in 1943. This session will feature a panel discussion where experts in the field will share their thoughts on the evolution of in industrial electrochemistry and electrochemical engineering over the years, as well as current trends and future opportunities in these fields. Confirmed panelists will be announced in this abstract before the meeting.","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"50 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089558","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}

{"title":"Rapid Free Electron Reduction in Plasma Irradiated Microscale Water Droplets","authors":"Harold McQuaid, Davide Mariotti, PAUL Maguire","doi":"10.1149/ma2023-01201505mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01201505mtgabs","url":null,"abstract":"Many reaction studies show that microdroplets can provide a new avenue for green chemistry by enabling the electrochemical activity of water molecules. The observation of enhanced chemical reaction rates in gas-phase microdroplets compared to bulk liquids, often by orders of magnitude, has sparked considerable research interest. A number of factors may be involved, including evaporation enhanced reactant concentration, partial solvation at the surface, high surface to bulk number ratio, enhanced surface rate constants, pH gradients, gas-phase reactions and mass transfer, electric field enhancement and surface charging. Plasma interactions with liquids involve the mass transfer and accommodation of reactive radicals and other plasma chemical species, often occurs in the presence of high electric field and temperature gradients, UV flux and electric currents. We have investigated the use of low temperature atmospheric pressure plasma irradiated liquid microdroplets. [1] Picolitre microdroplets are totally surrounded by plasma and their high surface area relative to volume receives chemical, photon and charge flux during flight leading to chemical reactions in the liquid at low temperature. With the inclusion of precursors, the small volume provides an excellent basis for gas phase chemical microreactors that can deliver products continuously and almost instantaneously downstream for applications such as plasma medicine and specialist chemical or nanomaterial printing. In particular, low temperature plasmas are a copious source of free electrons, up to 10 6 times greater than corona discharges, which can interact with the liquid surface to promote rapid reduction reactions and possibly on-water catalysis. We have observed the reduction of metal salts in flight to produce nanoparticles at rates many orders of magnitude greater than standard solution chemistry or via radiolysis. [2] We have measured the plasma gas temperature in the presence of microdroplet streams with droplet rates up to 5 x 10 4 s -1 and observed no significant increase in gas temperature, which is typically ~300 K, thus keeping the evaporation limited. [3] Recently, we carried out plasma simulations, coupled with downstream chemical flux measurements, to determine the evolution of gas-phase chemistry in the plasma and effluent. [4] We have also performed the first measurements of plasma charging of particles, at atmospheric pressure for diameters > 1 um. The determined average droplet charge per droplet was 2.5 x 10 6 electrons (400 fC). Using a number of plasma particle charging models we estimate the electron flux ranged from 5 x 10 22 m -2 s -1 to 4 x 10 25 m -2 s -1 . In [2], at least 50% Au 3+ to Au 0 reduction of the droplet precursor (HAuCl 4 ) was observed over a ~120 µs plasma flight time and the equivalent Au 0 generation rate is ~10 13 atoms s -1 . The ratio of electron flux per droplet to metal generation rate provides a dimensionless figure of merit, e - /Au 0 , of ~1","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089577","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}

{"title":"From Formyl-Corroles to Non-Aromatic Porphyrinoids","authors":"Łukasz Kielesiński, Abhik Ghosh, Guglielmo Monaco, Daniel T. Gryko","doi":"10.1149/ma2023-01151413mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01151413mtgabs","url":null,"abstract":"In 1998, it would have been impossible to imagine that only 20 years later the chemistry of one of corroles would expand to create an independent field of study. The synthesis of corroles has undergone incredible changes. From multistep strategies that attracted only practitioners in the field, the procedure has been transformed into a one-pot process from commercially available reagents. The synthesis of meso -substituted corroles evolved quickly during the first seven years after Paolesse’s and Gross’s discovery [1,2]. The methodology which led to trans -A 2 B-corroles (i.e., corroles bearing substituents A at positions 5 and 15 and substituent B at position 10) from dipyrranes and aldehydes was discovered in 2000 and optimized several times prior to 2006, when we discovered that as long as aldehydes and dipyrranes were relatively small and/or hydrophilic, performing this reaction in a mixture of water and methanol in the presence of HCl allowed the yields to increase from 6-30% to ~55% [3,4]. The synthetic revolution made it possible to try risky ideas in diverse areas of materials chemistry and in various biology- and medicine-oriented applications. Multiple challenges still remain in the preparation of corroles. One of those challenges is the preparation of corroles possessing CHO groups. Free formyl groups can be reacted with multiple nucleophiles forming more complex and more advanced structures. At the same time CHO is the reacting group pivotal in the corrole synthesis. Attempting to solve this conundrum we recently developed the synthesis of tris(4-formylphenyl)corrole in straightforward fashion. During the realization of this project we discovered that 10-(2-formylphenyl)corrole undergoes intramolecular Friedel-Crafts reaction leading to non-aromatic, π-expanded corrole. This divalent macrocycle possess intriguing photophysical properties and has an ability to form complexes with various metals. References Gross, Z.; Galili, N.; Saltsman, I. Angew. Chem. Int. Ed. 1999 , 38 , 1427−1429. Paolesse, R.; Jaquinod, L.; Nurco, D. J.; Mini, S.; Sagone, F.; Boschi, T.; Smith, K. M. Chem. Commun. 1999 , 1307−1308. Koszarna, B.; Gryko, D. T. J. Org. Chem . 2006 , 71 , 3707−3717. Orłowski, R.; Gryko, D.; Gryko, D. T. Chem. Rev . 2017 , 117 , 3102-3137. Figure 1","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"59 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089585","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}

{"title":"(Invited) Advanced Carbon Nanotube Fluorescence Spectrometry for Novel Applications","authors":"R. Bruce Weisman, Tonya Cherukuri, Sergei M. Bachilo, Wei Meng, Satish Nagarajaiah","doi":"10.1149/ma2023-01101181mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01101181mtgabs","url":null,"abstract":"Instrumental advances in near-IR fluorescence spectroscopy are enabling new types of measurements involving single-wall carbon nanotubes (SWCNTs). Two unique systems will be described. The first is a two-dimensional fluorescence-detected circular dichroism (FDCD) spectrometer. In this, SWCNT samples are excited by a spectrally selected supercontinuum laser beam that is switched between left- and right-circular polarization in an electro-optic modulator. Near-infrared sample fluorescence emitted in the backward direction is captured and directed to a scanning monochromator with a cooled InGaAs single-channel detector. After amplification and high precision digitization, the modulated signal component is extracted by computer-based phase sensitive detection. The system can measure a sample’s E 22 circular dichroism in four spectral modes: 1) conventional FDCD, with scanned visible excitation wavelength and spectrally integrated (zero-order grating) emission detection; 2) Emission-specific FDCD, with scanned visible excitation wavelengths and selected emission wavelength; 3) Emission-scanned FDCD, with selected visible excitation wavelength and scanned emission wavelengths; 4) Excitation-Emission FDCD, with excitation and emission wavelengths both scanned to give two-dimensional data sets. This instrument can spectroscopically resolve enantiomer signals from a single ( n , m ) species in a racemic SWCNT sample. In a parallel project, developments in SWCNT fluorescence spectrometry are advancing nanotube-based strain measurement technology toward commercialization. Because SWCNT emission wavelengths vary systematically with axial strain, nanotubes in a thin coating on a specimen can serve as optically interrogated strain gauges. We apply this effect to measure strain maps through hyperspectral imaging of SWCNT fluorescence. A rotated band pass filter is used to capture a set of images in multiple spectral slices, from which a custom computer program deduces strain at each of ~10 5 image pixels and compiles strain maps. We will describe how this apparatus has evolved from a lab prototype into a compact portable system that can make measurements in industrial settings.","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"75 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089587","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}

{"title":"(Invited) Machine Learning and Fast Experimental Screening-Assisted Development of Organic Solar Cell","authors":"Akinori Saeki","doi":"10.1149/ma2023-01141349mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01141349mtgabs","url":null,"abstract":"Non-fullerene, a small molecular electron acceptor, has substantially improved the power conversion efficiency of organic photovoltaics (OPVs).[1] However, the large structural freedom of π-conjugated polymers and molecules makes it difficult to be explored with limited resources. Machine learning, which is based on the rapidly growing artificial intelligence technology, is a high-throughput method to accelerate the speed of material design and process optimization; however, it suffers from limitations in terms of prediction accuracy, interpretability, data collection, and available data (particularly, experimental data). This recognition motivates the present review, which focuses on utilizing the experimental dataset for ML to efficiently aid OPV research. The author discusses the trends in ML-OPV publications, the NFA category, and the effects of data size and explanatory variables (fingerprints or Mordred descriptors) on the prediction accuracy and explainability, which broadens the scope of ML and would be useful for the development of next-generation solar cell materials.[2] Despite the advance of ML, the predictive accuracy of ML currently remains insufficient for the design of OPV semiconductors that exhibit a complex connectivity between chemical structure and PCE. In this study, we examined the impact of data selection and the introduction of artificially generated failure data on ML predictions of NFA solar cells. The authors demonstrated that an ML model empowered by artificially generated failure data (~0% PCE by insoluble polymers based on an inappropriate choice of solubilizing side alkyl chains) led to improved predictions.[3] This approach was validated through the synthesis and characterization of twelve polymers (benzothiadiazole, thienothiophene, or tetrazine coupled with benzodithiophene; benzobisthiazole coupled with dioxo-benzodithiophene). Our work offers a facile approach to mitigate the difficulties of the ML-driven development of OPV materials that is also readily applicable to other material science fields. Reference [1] Kranthiraja, A. Saeki, Adv. Funct. Mater. 31 (2021) 2011168 [2] Miyake, A. Saeki, J. Phys. Chem. Lett. 12 (2021) 12391. [3] Miyake, K. Kranthiraja, F. Ishiwari, A. Saeki, Chem. Mater. 34 (2022) 6912.","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089591","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}

{"title":"(Invited) Towards Understanding the Competition of Electron and Energy Transfer in Nanographene","authors":"Dirk Michael Guldi","doi":"10.1149/ma2023-01121270mtgabs","DOIUrl":"https://doi.org/10.1149/ma2023-01121270mtgabs","url":null,"abstract":"Graphene has captured the imagination of researchers around the world due to its groundbreaking chemical and physical properties. Opening a band gap in graphene must be achieved without, however, compromising its exceptional properties as they are of paramount importance for its use in electronic devices. Notable is the fact that the band gap design in graphene is typically carried out by either chemical or physical methodologies. Chemical modification of graphene is mostly centered around “top-down” or “bottom-up” approaches. The earlier alters, nevertheless, the graphene lattice and, as a consequence, poorly defined structures emerge. The latter by means of, for example, organic synthesis offers a wide palette of tools to control sizes as well as geometries of the resulting “molecular” nanographenes with atomic precision. It allows the fabrication of uniform and well-defined molecular structures. Such “molecular” nanographenes are compelling choices for “on demand” molecular electronics, photovoltaic applications, hydrogen storage, and sensing. In recent years, two main strategies have been developed to fabricate “molecular” nanographenes of defined chemical structures. It is, on one hand, oxidative cyclodehydrogenation of custom-made polycyclic aromatic hydrocarbons (PAHs) and, on the other hand, on-surface cyclodehydrogenation, which enabled the preparation of atomically precise “molecular” nanographenes. To this end, the 13 fused-benzene rings of hexa- peri -hexabenzocoronene (HBC), which are arranged in a 2D disk-shaped fashion, render HBCs the smallest “molecular” nanographenes.","PeriodicalId":11461,"journal":{"name":"ECS Meeting Abstracts","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135089598","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}