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Kinetic Simulations of CO2 Hydrogenation to Ethanol on Pd2Cu (110)
IF 4.126 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-22 DOI: 10.1021/acs.jpcc.4c08652
Yongjie Jiang, Hui Guo, Feng Cheng, Zhao-Xu Chen
Conversion of CO2 to ethanol is a potential method for carbon capture and utilization. Among various catalysts for this reaction, Pd2Cu is found to have high activity and selectivity. In this paper, we investigated the reaction mechanism using mean-field microkinetic modeling (MF-MKM) and kinetic Monte Carlo (kMC) simulations. To overcome the stiffness problem caused by the significant difference in time scales of different events in kMC simulation, we employed the ads-kMC algorithm proposed in our previous work, in which the adsorption/desorption/reaction rate constants were reduced under certain requirements and the diffusion process was treated by redistributing surface species each time an event occurs. Both methods show similar surface coverage, i.e., the surface is fully covered by H and CO and exhibits high selectivity for ethanol. This study also compares the effect of species diffusion rates on the kMC simulations. The results show that the diffusion rate changes the reaction mechanism and coverage, and under slow diffusion case the kMC predicted selectivity is higher than that under fast diffusion. The present study sheds light on the mechanism of CO2 hydrogenation to ethanol on Pd2Cu catalyst, deepens the understanding of kMC and MF-MKM simulations, and examines the influence of species diffusion on reaction kinetics.
将二氧化碳转化为乙醇是一种潜在的碳捕获和利用方法。在该反应的各种催化剂中,Pd2Cu 被认为具有较高的活性和选择性。本文采用均场微动力学建模(MF-MKM)和动力学蒙特卡罗(kMC)模拟研究了反应机理。为了克服 kMC 模拟中不同事件的时间尺度差异较大所导致的僵化问题,我们采用了之前工作中提出的 ads-kMC 算法,即在一定要求下降低吸附/解吸/反应速率常数,并在每次事件发生时通过重新分配表面物种来处理扩散过程。两种方法都显示出相似的表面覆盖率,即表面被 H 和 CO 完全覆盖,并对乙醇表现出高选择性。本研究还比较了物种扩散率对 kMC 模拟的影响。结果表明,扩散速率会改变反应机制和覆盖率,在慢扩散情况下,kMC 预测的选择性高于快扩散情况下的选择性。本研究揭示了 Pd2Cu 催化剂上 CO2 加氢制乙醇的机理,加深了对 kMC 和 MF-MKM 模拟的理解,并考察了物种扩散对反应动力学的影响。
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引用次数: 0
Recrystallization-Driven High-Performance Optical Nonlinearity Recovery of Layered van der Waals NbOCl2
IF 6.475 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-22 DOI: 10.1021/acs.jpclett.5c00096
Jianlong Kang, Li Zhou, Yiduo Wang, Jie Zhang, Quan Long, Xianming Zhong, Xin Li, Yingwei Wang, Si Xiao, Jun He
van der Waals crystal NbOCl2 has attracted considerable interest owing to its spontaneous parametric downconversion properties, but challenges remain due to its degradation and reduced optical nonlinearity under ambient conditions. Here, we show that high-temperature vacuum annealing can recover and even enhance second harmonic generation (SHG) in degraded NbOCl2 via recrystallization. During degradation, the second-order nonlinearity decreases, accompanied by changes in the crystal structure of NbOCl2. However, after annealing, SHG is recovered and even improved as a result of recrystallization of the degraded NbOCl2 nanosheets. This strategy enables the realization of tunable nonlinear optical responses, including harmonic generation and nonlinear absorption. By combining linear absorption spectroscopy, transient absorption, and transmission electron microscopy, we show that recrystallization occurs under specific annealing temperatures, leading to bandgap modulation and altered electronic relaxation. This study offers a new approach to achieving tunable and reversible optical nonlinearity for nonlinear optical device applications.
{"title":"Recrystallization-Driven High-Performance Optical Nonlinearity Recovery of Layered van der Waals NbOCl2","authors":"Jianlong Kang, Li Zhou, Yiduo Wang, Jie Zhang, Quan Long, Xianming Zhong, Xin Li, Yingwei Wang, Si Xiao, Jun He","doi":"10.1021/acs.jpclett.5c00096","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00096","url":null,"abstract":"van der Waals crystal NbOCl<sub>2</sub> has attracted considerable interest owing to its spontaneous parametric downconversion properties, but challenges remain due to its degradation and reduced optical nonlinearity under ambient conditions. Here, we show that high-temperature vacuum annealing can recover and even enhance second harmonic generation (SHG) in degraded NbOCl<sub>2</sub> via recrystallization. During degradation, the second-order nonlinearity decreases, accompanied by changes in the crystal structure of NbOCl<sub>2</sub>. However, after annealing, SHG is recovered and even improved as a result of recrystallization of the degraded NbOCl<sub>2</sub> nanosheets. This strategy enables the realization of tunable nonlinear optical responses, including harmonic generation and nonlinear absorption. By combining linear absorption spectroscopy, transient absorption, and transmission electron microscopy, we show that recrystallization occurs under specific annealing temperatures, leading to bandgap modulation and altered electronic relaxation. This study offers a new approach to achieving tunable and reversible optical nonlinearity for nonlinear optical device applications.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"16 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143858222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Portable electrophoretic lateral flow biosensing for ultra-sensitive human lactate dehydrogenase detection in serum samples
IF 10.7 1区 生物学 Q1 BIOPHYSICS Pub Date : 2025-04-22 DOI: 10.1016/j.bios.2025.117504
Amadeo Sena-Torralba , Yulieth D. Banguera-Ordoñez , Javier Carrascosa , Ángel Maquieira , Sergi Morais
Lateral flow immunoassays are globally recognized for their simplicity, cost-effectiveness, and rapid qualitative and semiquantitative analyses, making them indispensable as point-of-care screening tools. However, their limited sensitivity restricts their application in clinical settings, requiring the detection of ultralow analyte concentrations in complex sample matrices. To address these challenges, we present a portable biosensing platform integrating battery-powered electrokinetic-driven microfluidics to enhance sensitivity while preserving point-of-care functionality. Our lightweight (151 g), 3D-printed electrophoretic device (€82) supports the simultaneous analysis of three samples and operates with an ultra-low power consumption of 225 mAh−1, enabling 44 h of operation on a single charge. By optimizing key parameters such as Joule heating, buffer evaporation, and electroosmotic flow, the device enables iterative incubation and washing steps directly on the nitrocellulose strip, capabilities unattainable with conventional capillarity-driven LFIAs. This advanced biosensing platform achieves a detection limit of 70 pg mL−1 for human lactate dehydrogenase (h-LDH), a key cancer biomarker, using gold nanoparticles as signal transducers. This result means a 367-fold improvement in sensitivity. Offering rapid, cost-effective, and ultra-sensitive biomarker quantification, this approach holds significant promise for transforming precision medicine, particularly in monitoring LDH-related cancer therapies.
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引用次数: 0
A Plea for Cumulative Stressor Risk Assessments in Light of Climate Change
IF 9.028 1区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-04-22 DOI: 10.1021/acs.est.5c02733
G. Allen Burton, Jr., Jason R. Rohr
Historically, environmental protection by governmental agencies has focused on controlling point-source discharges, in many cases emphasizing wastewaters laden with nutrients, pathogens, metals, and/or synthetic organics. Most non-United States countries do not focus effluent limits much beyond nutrients and dissolved oxygen and do not put limits on metals and synthetic organics. Water quality standards were established to regulate dischargers and drinking water and protect aquatic biota from impairment associated with point-source pollution. Nevertheless, widespread causes of ecosystem impairments from non-point-source (diffuse) pollution, habitat degradation, and invasive species had not been a focus of regulatory enforcement internationally. The U.S. Clean Water Act (sections 303(d), 305(b), and 314) requires each state to submit a biennial report on the quality of its water resources to the U.S. EPA. These reports identify monitored parameters causing failure of a water body to meet its “designated use”. In these reports, the overwhelming causes of impairments are single contaminants, such as chemicals, nutrients, or <i>Escherichia coli</i>, rather than the suite of stressors to which organisms are exposed. These stressors are certainly similar to those in other human-dominated watersheds of the world. Many international and national organizations, e.g., UNEP, WHO, IUCN, Council of Biological Diversity, JPI Oceans Knowledge Hub, Australia State of the Environment, Joint Nature Conservation Committee (UK), and U.S. EPA Office of Research & Development, and scientific authors have stated in recent years that cumulative effect assessments (CEAs) must be adopted to better protect ecosystems from physical, chemical, and biological stressors. Santos et al. (1) reviewed CEAs in terms of improving the European Water Framework Directive and highlighted the need for climate stressor inclusion. Nevertheless, most of the CEAs have failed to emphasize how climate stress and other chemical, physical, and biological stressors should be integrated (Figure 1). Figure 1. Climate-related stressors interact with traditionally managed stressors with known consequences. Cumulative stressor risk assessments are necessary for effective management. Environmental management and regulations can no longer take this overly simplistic focus. The increasing frequency and magnitude of climate change (CC)-related disasters and their interactions with these “traditional” parameters (stressors) mandate a more realistic assessment of ecosystem quality for protection, management, and restoration. Most areas of the planet have already been altered by CC, with large areas experiencing widespread devastation to ecosystems and human systems. To make matters worse, there are far more studies examining single stressors than the interaction of CC-related stressors (i.e., warming temperatures, wildfire, drought, and flooding) and stressors of traditional regulatory focus. Additional
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引用次数: 0
Visible-Light-Mediated Addition Reactions of Sulfur-Containing Reagents with α-Trifluoromethyl Alkenes 可见光介导的含硫试剂与 α-三氟甲基烯的加成反应
IF 4.354 2区 化学 Q1 CHEMISTRY, ORGANIC Pub Date : 2025-04-22 DOI: 10.1021/acs.joc.5c00396
Yi-Rong Chen, Jia-Hui Han, Weidong Rao, Ping Song, Shu-su Shen, Daopeng Sheng, Shun-Yi Wang
Herein, we described the addition reactions of sulfur-containing reagents (sodium sulfinates, dithiosulfonates) with α-trifluoromethyl alkenes under visible light. A series of trifluoromethyl sulfonates were synthesized via the visible-light-induced radical addition reaction of sodium sulfinates and α-trifluoromethyl alkenes to obtain protons from the solvent. A series of dithiosulfonated derivatives were synthesized via visible-light-induced bifunctionalization reaction of α-trifluoromethyl alkenes with dithiosulfonates.This strategy has the advantages of mild reaction conditions, good substrate universality and high yield up to 99% yield.
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引用次数: 0
A Proposal to Permanently Ban Flame Retardant Chemicals to Meet California’s Flammability Standard for Upholstered Furniture
IF 9.028 1区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-04-22 DOI: 10.1021/acs.est.5c03121
David C. Volz
In March 1972, Assembly Bill 2165 (AB 2165), a product safety-specific bill “relating to furniture and bedding”, was one of 2395 bills introduced in the California State Assembly and one of 896 bills enacted on January 1, 1973. AB 2165 was co-authored by Assemblymembers John Burton and Willie Brown who, from 1965 to 1974, represented the 20th and 18th districts, respectively, within San Francisco County. Based on the public record, it is unclear what compelled Burton and Brown to co-author AB 2165 during the 1972–1973 session. AB 2165 included a 141-word amendment to Section 19161 of the Business and Professions Code (BPC) requiring that “all mattresses manufactured for sale in this state ... shall be fire retardant” and “all upholstered furniture sold or offered for sale by a manufacturer or wholesaler for use in this state ... shall be fire retardant and shall be labeled in a manner specified by the bureau.” The Bureau of Electronic and Appliance Repair, Home Furnishings, and Thermal Insulation (now Bureau of Household Goods and Services) held jurisdictional authority over the furniture and bedding industries and were responsible for ensuring compliance with this new law. However, this amendment did not specify how mattresses and upholstered furniture “shall be fire retardant”. In 1973, the Federal Mattress Flammability Standard was simultaneously introduced by the U.S. Consumer Product Safety Commission (CPSC), allowing mattress manufacturers to immediately comply with California’s amendment to Section 19161 of the BPC. However, California was the only state that legally required that (1) upholstered furniture be fire retardant and (2) manufacturers affix permanent labels indicating compliance with state-specific flammability standards. As a result, this led to the implementation of an upholstered furniture flammability performance standard (Technical Bulletin 117, or TB117) in 1975, a deadline mandated by AB 2165. TB117 required that interior filling materials (e.g., polyurethane foam) of upholstered furniture be individually evaluated using open flame and cigarette smolder tests. In 2013, TB117 was revised (now TB117-2013) to address the potential ignition of upholstered cover fabric and interactions among different upholstered furniture components following exposure to smoldering ignition sources (i.e., cigarettes). Importantly, as a smolder-specific standard, TB117-2013 provides manufacturers the flexibility to use either flame retardant (FR) chemicals or barrier (interliner) materials to maintain compliance. Since 1975, TB117-compliant furniture has been sold across the entire United States to simplify production and distribution. As a result, TB117 has been the <i>de facto</i> flammability standard across the country since California was the only state that required upholstered furniture to be fire retardant. Moreover, the adoption of TB117 in the United States preceded fire safety regulations for upholstered furniture in the United King
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引用次数: 0
Thermodynamic Favorability of the 1T Phase over the 1H Phase in Group III Metal Monochalcogenide Zigzag Nanoribbons
IF 4.126 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-22 DOI: 10.1021/acs.jpcc.5c00765
Emin Aliyev, Arash Mobaraki, Hâldun Sevinçli, Seymur Jahangirov
Owing to the promising optoelectronic and thermoelectric properties of two-dimensional (2D) group III–VI materials (MXs), their nanoribbons (NRs) have attracted notable attention as an emerging class of quasi-one-dimensional (quasi-1D) nanostructures. Due to the fact that the most stable 2D monolayer polymorph of MXs is the 1H phase, to date, existing studies in the literature have predominantly focused on the NRs formed from 1H phase MXs. Nevertheless, NRs of the 1T phase have received little to no attention. Employing ab initio simulations based on density functional theory, we systematically compared the thermodynamic stability of hydrogen-passivated and unpassivated 1T and 1H ZNRs of GaS, GaSe, and InSe. Our results reveal that nonpolar 1T phase MX ZNRs are thermodynamically more favorable than polar 1H MX ZNRs at widths up to 34 nm, a range that is realizable through contemporary experimental fabrication techniques. Furthermore, unlike metallic 1H ZNRs, 1T ZNRs remain semiconductors and retain Mexican-hat-shaped top valence bands. Complementarily, hydrogenation energies of 1T InSe ZNRs are positive, and due to the edge-localized states, the 1T unpassivated ZNRs possess nearly flat top valence bands. Our findings serve as a compass for subsequent synthesis pathways of group III–VI NRs.
{"title":"Thermodynamic Favorability of the 1T Phase over the 1H Phase in Group III Metal Monochalcogenide Zigzag Nanoribbons","authors":"Emin Aliyev, Arash Mobaraki, Hâldun Sevinçli, Seymur Jahangirov","doi":"10.1021/acs.jpcc.5c00765","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00765","url":null,"abstract":"Owing to the promising optoelectronic and thermoelectric properties of two-dimensional (2D) group III–VI materials (MXs), their nanoribbons (NRs) have attracted notable attention as an emerging class of quasi-one-dimensional (quasi-1D) nanostructures. Due to the fact that the most stable 2D monolayer polymorph of MXs is the 1H phase, to date, existing studies in the literature have predominantly focused on the NRs formed from 1H phase MXs. Nevertheless, NRs of the 1T phase have received little to no attention. Employing ab initio simulations based on density functional theory, we systematically compared the thermodynamic stability of hydrogen-passivated and unpassivated 1T and 1H ZNRs of GaS, GaSe, and InSe. Our results reveal that nonpolar 1T phase MX ZNRs are thermodynamically more favorable than polar 1H MX ZNRs at widths up to 34 nm, a range that is realizable through contemporary experimental fabrication techniques. Furthermore, unlike metallic 1H ZNRs, 1T ZNRs remain semiconductors and retain Mexican-hat-shaped top valence bands. Complementarily, hydrogenation energies of 1T InSe ZNRs are positive, and due to the edge-localized states, the 1T unpassivated ZNRs possess nearly flat top valence bands. Our findings serve as a compass for subsequent synthesis pathways of group III–VI NRs.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"12 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143858236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sustainable biochar: Market development and commercialization to achieve ESG goals
IF 16.3 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2025-04-21 DOI: 10.1016/j.rser.2025.115744
Sachini Supunsala Senadheera , Piumi Amasha Withana , Siming You , Daniel C.W. Tsang , Sung Yeon Hwang , Yong Sik Ok
Biochar has traditionally been used as a soil amendment as it enhances carbon sequestration and soil fertility. In addition to agriculture, biochar has recently been used in various industrial sectors, including textiles, construction, waste management, renewable energy generation, and for climate change mitigation. However, biochar performance depends on the feedstock quality and properties. This review highlights the key breakthroughs in the potential for integration of biochar across diverse industries and the associated emerging business opportunities within the global biochar market. By incorporating techno-economic analyses, we evaluate the feasibility of biochar production technologies by evaluating their associated costs, benefits, risks, and uncertainties. This review focuses on the policy considerations of biochar feedstock management, production, and application suitability, in addition to supply chains, particularly in Europe, Korea, and Australia. We found that lack of universal standards, limited industrial-scale data, and inadequate policies hinder the broader application of biochar products. To address these barriers, future research should prioritize unifying life cycle assessment of different biochar applications, developing equity-centered governance models to prevent monopolies over resources, and designing and scaling up pyrolysis technologies tailored to regional biomass waste availability. To stimulate a sustainable growth of the biochar market, a collaborative approach among governments, industry, and academia, along with robust policy incentives, is essential. Ultimately, a scalable and resilient biochar market is critical for unlocking its full environmental potential and ensuring its role in global sustainability efforts.
{"title":"Sustainable biochar: Market development and commercialization to achieve ESG goals","authors":"Sachini Supunsala Senadheera ,&nbsp;Piumi Amasha Withana ,&nbsp;Siming You ,&nbsp;Daniel C.W. Tsang ,&nbsp;Sung Yeon Hwang ,&nbsp;Yong Sik Ok","doi":"10.1016/j.rser.2025.115744","DOIUrl":"10.1016/j.rser.2025.115744","url":null,"abstract":"<div><div>Biochar has traditionally been used as a soil amendment as it enhances carbon sequestration and soil fertility. In addition to agriculture, biochar has recently been used in various industrial sectors, including textiles, construction, waste management, renewable energy generation, and for climate change mitigation. However, biochar performance depends on the feedstock quality and properties. This review highlights the key breakthroughs in the potential for integration of biochar across diverse industries and the associated emerging business opportunities within the global biochar market. By incorporating techno-economic analyses, we evaluate the feasibility of biochar production technologies by evaluating their associated costs, benefits, risks, and uncertainties. This review focuses on the policy considerations of biochar feedstock management, production, and application suitability, in addition to supply chains, particularly in Europe, Korea, and Australia. We found that lack of universal standards, limited industrial-scale data, and inadequate policies hinder the broader application of biochar products. To address these barriers, future research should prioritize unifying life cycle assessment of different biochar applications, developing equity-centered governance models to prevent monopolies over resources, and designing and scaling up pyrolysis technologies tailored to regional biomass waste availability. To stimulate a sustainable growth of the biochar market, a collaborative approach among governments, industry, and academia, along with robust policy incentives, is essential. Ultimately, a scalable and resilient biochar market is critical for unlocking its full environmental potential and ensuring its role in global sustainability efforts.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"217 ","pages":"Article 115744"},"PeriodicalIF":16.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143851351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Materials, Physics, and Chemistry of Neuromorphic Computing Systems
IF 6.475 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-21 DOI: 10.1021/acs.jpclett.4c03033
Juan Bisquert
Published as part of <i>The Journal of Physical Chemistry Letters</i> special issue “Materials, Physics, and Chemistry of Neuromorphic Computing Systems”. In the era of artificial intelligence (AI), the rapid growth of unstructured data has created an urgent need for efficient, high-speed data processing and analysis. Traditional computing systems, rooted in the von Neumann architecture, struggle to keep pace due to inherent limitations, including restricted computational speed and increasing energy consumption. These challenges stem from the separation of processing and memory units, a problem known as the von Neumann bottleneck. To address these issues, researchers have turned to neuromorphic computing, which draws inspiration from the brain’s ability to perform parallel, energy-efficient operations with remarkable processing power and adaptability. Within the field of AI, notable examples of brain-inspired advances include artificial neural networks (ANNs) and deep learning (DL) neural networks, which are ANNs with several layers that lend themselves to learned feature representations. These have surpassed humans on many tasks such as pattern recognition, game playing, machine translation, and more. The algorithms are adapted to an ever-increasing range of machine learning (ML) tasks. Spiking neural networks (SNN) are of high current interest, both from the perspective of modeling neural networks of the brain and for exporting their fast-learning capability and energy efficiency into neuromorphic hardware. The goal of neuromorphic computational systems is a powerful advancement in technology that allows devices to gather data, analyze it in real time, and autonomously take actions based on the information received. A similar concept can be found in sensor computing, where sensors not only detect stimuli but also perform data conversion and processing at the point of data collection. This capability, known as in-sensor computing, reduces the need for extensive data transfer and system complexity, allowing connected devices to process information and make decisions locally─at the edge─rather than relying on a centralized system. By enabling faster, more intelligent decision-making at the edge, neuromorphic computing can transform industries and pave the way for a more connected, efficient, and intelligent future across numerous sectors, including healthcare, agriculture, manufacturing, and smart cities. Here we present the special issue Materials, Physics and Chemistry of Neuromorphic Computing Systems. There is considerable interest in attaining memory and computation functionalities based on a neurological understanding of physical and chemical phenomena, faithfully replicated in suitable devices, by detailed control of materials and surface properties at the micro- and nanoscale. Such types of functionalities can be defined by the physical chemistry analysis of different materials properties, to reproduce biological properties such as synapti
{"title":"Materials, Physics, and Chemistry of Neuromorphic Computing Systems","authors":"Juan Bisquert","doi":"10.1021/acs.jpclett.4c03033","DOIUrl":"https://doi.org/10.1021/acs.jpclett.4c03033","url":null,"abstract":"Published as part of &lt;i&gt;The Journal of Physical Chemistry Letters&lt;/i&gt; special issue “Materials, Physics, and Chemistry of Neuromorphic Computing Systems”. In the era of artificial intelligence (AI), the rapid growth of unstructured data has created an urgent need for efficient, high-speed data processing and analysis. Traditional computing systems, rooted in the von Neumann architecture, struggle to keep pace due to inherent limitations, including restricted computational speed and increasing energy consumption. These challenges stem from the separation of processing and memory units, a problem known as the von Neumann bottleneck. To address these issues, researchers have turned to neuromorphic computing, which draws inspiration from the brain’s ability to perform parallel, energy-efficient operations with remarkable processing power and adaptability. Within the field of AI, notable examples of brain-inspired advances include artificial neural networks (ANNs) and deep learning (DL) neural networks, which are ANNs with several layers that lend themselves to learned feature representations. These have surpassed humans on many tasks such as pattern recognition, game playing, machine translation, and more. The algorithms are adapted to an ever-increasing range of machine learning (ML) tasks. Spiking neural networks (SNN) are of high current interest, both from the perspective of modeling neural networks of the brain and for exporting their fast-learning capability and energy efficiency into neuromorphic hardware. The goal of neuromorphic computational systems is a powerful advancement in technology that allows devices to gather data, analyze it in real time, and autonomously take actions based on the information received. A similar concept can be found in sensor computing, where sensors not only detect stimuli but also perform data conversion and processing at the point of data collection. This capability, known as in-sensor computing, reduces the need for extensive data transfer and system complexity, allowing connected devices to process information and make decisions locally─at the edge─rather than relying on a centralized system. By enabling faster, more intelligent decision-making at the edge, neuromorphic computing can transform industries and pave the way for a more connected, efficient, and intelligent future across numerous sectors, including healthcare, agriculture, manufacturing, and smart cities. Here we present the special issue Materials, Physics and Chemistry of Neuromorphic Computing Systems. There is considerable interest in attaining memory and computation functionalities based on a neurological understanding of physical and chemical phenomena, faithfully replicated in suitable devices, by detailed control of materials and surface properties at the micro- and nanoscale. Such types of functionalities can be defined by the physical chemistry analysis of different materials properties, to reproduce biological properties such as synapti","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"11 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143853287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanistic Insights into the Resistive Switching Mechanism of Quasi-2D Perovskite Memristors
IF 6.475 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-21 DOI: 10.1021/acs.jpclett.5c00633
Hongqiang Luo, Sijia Zhou, Lihua Lu, Zhongli Guo, Shanshan Zhao, Jianfeng Du, Yikai Yun, Mengyu Chen, Cheng Li
Halide perovskite memristors are rapidly emerging as promising candidates in the fields of neural network construction, logic operation, and biological synaptic simulation. Understanding the resistive switching mechanism, yet, is crucial for ensuring the stability and reproducibility of device performance. Here, we prepare quasi-2D perovskites with enhanced performance through the optimization of molecular, solvents, and dimensions. Subsequently, the switching process of the quasi-2D perovskite memristors is directly observed by a nondestructive in situ photoluminescence (PL) imaging microscope. In addition, the elemental composition of the conductive filaments (CFs) is analyzed, showing that devices with active metal top electrodes allow the presence of both active metal CFs and halogen vacancy CFs during the resistive switching process. This work provides valuable insights into the switching mechanisms of quasi-2D perovskite memristors and enhances the prospects for their applications.
{"title":"Mechanistic Insights into the Resistive Switching Mechanism of Quasi-2D Perovskite Memristors","authors":"Hongqiang Luo, Sijia Zhou, Lihua Lu, Zhongli Guo, Shanshan Zhao, Jianfeng Du, Yikai Yun, Mengyu Chen, Cheng Li","doi":"10.1021/acs.jpclett.5c00633","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00633","url":null,"abstract":"Halide perovskite memristors are rapidly emerging as promising candidates in the fields of neural network construction, logic operation, and biological synaptic simulation. Understanding the resistive switching mechanism, yet, is crucial for ensuring the stability and reproducibility of device performance. Here, we prepare quasi-2D perovskites with enhanced performance through the optimization of molecular, solvents, and dimensions. Subsequently, the switching process of the quasi-2D perovskite memristors is directly observed by a nondestructive <i>in situ</i> photoluminescence (PL) imaging microscope. In addition, the elemental composition of the conductive filaments (CFs) is analyzed, showing that devices with active metal top electrodes allow the presence of both active metal CFs and halogen vacancy CFs during the resistive switching process. This work provides valuable insights into the switching mechanisms of quasi-2D perovskite memristors and enhances the prospects for their applications.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"45 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143853380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","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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