Related references
Note: Only part of the references are listed.
Article
Chemistry, Physical
Hongqiang Jin et al.
Summary: Regulating the density of metal single atoms and exploring their interaction can enhance the performance of single-atom catalysts (SACs). In this study, a series of Cu SACs with densities ranging from 0.1 to 2.4 atoms/nm2 were produced. It was found that the catalytic activity in the benzene hydroxylation reaction was proportional to the Cu single-atom density. Mechanistic studies revealed that the interactions among neighboring single-atom moieties in ultra-high-density Cu SACs altered the electronic structures of Cu single atoms, resulting in stronger center dot OH adsorption, which improved the benzene hydroxylation reaction by suppressing the formation of O2.
Article
Chemistry, Multidisciplinary
Hongqiang Jin et al.
Summary: The study reports a new Sabatier phenomenon in hydrogenation reactions induced by single-atom density at the atomic scale. A series of Ir single-atom catalysts (SACs) with a predominantly Ir-1-P-4 coordination structure are produced. The study reveals the Sabatier principle as an insightful guidance for the rational design of more efficient and practicable SACs for hydrogenation reactions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Vera Giulimondi et al.
Summary: Controlling the electronic structure of transition-metal single-atom heterogeneous catalysts (SACs) is crucial for optimizing their potential in various applications. While several methods have been proposed to alter the electronic characteristics of SACs, the lack of a systematic approach hinders the control and understanding of their effects.
Article
Chemistry, Physical
Robin Girod et al.
Summary: Catalyst layers in proton exchange membrane fuel cells play a crucial role in cell performance, and their structural characterization is important for understanding transport properties. In this study, we used deep-learning-aided cryogenic transmission electron tomography to visualize the full morphology of catalyst layers at the nanoscale. Our analysis provides valuable information on ionomer morphology, platinum distribution, and accessibility to the ionomer network, which can be directly compared and validated with experimental measurements. These findings and methodology contribute to linking catalyst layer architecture to fuel cell performance.
Article
Chemistry, Multidisciplinary
Haoyang Ni et al.
Summary: The atomic configurations of atomically dispersed catalysts (ADCs), such as atom-atom distances and clustering, greatly affect their catalytic performance. This study presents a CNN-based algorithm that can quantify the spatial arrangement of different adatom configurations. The algorithm was proven effective in accurately identifying atom positions and analyzing large data sets of ADCs. It offers a robust method to overcome the bottleneck in STEM analysis for ADC catalyst research and has the potential to be used as an on-the-fly analysis tool for catalysts in future in situ microscopy experiments.
Article
Chemistry, Multidisciplinary
Yuchen Deng et al.
Summary: Identification of catalytic active sites is essential for designing effective heterogeneous metal catalysts. Single-atom catalysts (SACs) have high metal atom utilization efficiency but are inactive for cyclohexane dehydrogenation. Catalysts enriched with fully exposed few-atom Pt ensembles exhibit optimal catalytic performance.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Nanoscience & Nanotechnology
Xiao Hai et al.
Summary: A general approach combining wet-chemistry impregnation and two-step annealing enables the scalable synthesis of ultra-high-density single-atom catalysts with metal contents up to 23 wt%, showcasing significantly enhanced reactivity. This method allows for the exploration of a vast library of mono- or multimetallic catalysts with tunable metal loadings.
NATURE NANOTECHNOLOGY
(2022)
Review
Chemistry, Physical
Runze Li et al.
Summary: This review introduces the recent research progress on how to design new DACs to enhance the performance of electrocatalysis. The advantages of DACs in increasing metal loading, changing the adsorption condition of reactant molecules, reducing the reaction energy barrier, and altering the reaction path are discussed. The catalytic applications in different electrocatalytic reactions are also explored.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Maxim A. Ziatdinov et al.
Summary: This article introduces an active learning approach based on co-navigation of the hypothesis and experimental spaces, combining structured Gaussian processes with reinforcement learning policy. It closely resembles the classical human-driven physical discovery process and has been demonstrated in exploring concentration-induced phase transitions in doped BiFeO3. The method can be extended to higher-dimensional parameter spaces and more complex problems in the future.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Sharon Mitchell et al.
Summary: This study introduces a customized deep-learning method for automated atom detection in image analysis, which can accelerate high-throughput transmission electron microscopy and reduce human bias. The method was validated on platinum atoms stabilized on a functionalized carbon support, and it can also be applied to other carbon-related materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Lili Han et al.
Summary: Single-atom catalysts have shown enhanced catalytic properties, but most studies have focused on a limited number of metal combinations. In this research, a library of 37 different monometallic elements is synthesized, characterized, and analyzed to establish the largest reported single-atom catalyst library. Unified principles on the design of single-atom catalysts are uncovered, and the library is utilized to explore complex multimetallic phase spaces. The findings demonstrate that single-atom anchor sites can serve as structural units to assemble concentration-complex single-atom catalyst materials with multiple elements.
Article
Materials Science, Multidisciplinary
Jiadong Dan et al.
MICROSCOPY AND MICROANALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Vera Giulimondi et al.
Summary: This study investigates the indirect, coordination-induced catalytic synergies in carbon-supported Ru-Pt SACs and reveals a new principle of intermetallic cooperativity.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Multidisciplinary Sciences
Insoo Ro et al.
Summary: This study investigates the catalytic mechanism of ethylene hydroformylation using supported, atomically dispersed Rh-WOx pair sites. Through Rh-assisted WOx reduction, transfer of ethylene from WOx to Rh, and H2 dissociation at the Rh-WOx interface, the pair sites exhibit high activity and selectivity, demonstrating the potential of oxide-supported pair sites in industrial reactions performed with homogeneous catalysts.
Review
Multidisciplinary Sciences
Sergei V. Kalinin et al.
Summary: This article discusses the combination of STEM technology with machine learning methods, explores STEM imaging methods and data quantification, and their application opportunities in the study of complex materials' chemistry and physics. The article also mentions the infrastructure requirements for the broad application of ML methods and discusses the potential application of ML in experiment automation and novel scanning modes.
NATURE REVIEWS METHODS PRIMERS
(2022)
Article
Chemistry, Multidisciplinary
D. Faust Akl et al.
Summary: The Pd-Cu catalysed Sonogashira coupling is a significant strategy for C-C bond formation. Traditional homogeneous systems are not reusable, but using heterogeneous catalysts based on isolated metal atoms allows for efficient Pd utilization. Recovering and reusing Pd atoms anchored on nitrogen-doped carbon is possible. The hybrid homogeneous-heterogeneous catalytic process has a smaller footprint compared to the purely homogeneous process.
Review
Chemistry, Physical
Qishun Wang et al.
Summary: CO2 emissions are a global concern, and converting CO2 into value-added products has great potential in industry. Research on single-atom site catalysis has become increasingly systematic, aiming to understand the structure-performance relationship of catalysts in CO2 activation. However, there is still much to be learned about the synthetic procedure and reaction pathway, requiring further efforts.
Review
Chemistry, Physical
Zesheng Li et al.
Summary: This paper introduces the latest research progress of single-atom catalysts (SACs), especially in terms of high metal loading and high-density metal atom catalytic properties. It also introduces the concept of metal atomic foam catalysts (AFCs), redefining the atomic structure of this new type of catalyst. The paper summarizes the synthesis methods of AFCs on different supports and discusses the catalytic principles and application cases in various heterogeneous catalysis fields. In addition, the paper points out the challenges and prospects of AFCs in practical industrial applications.
Article
Computer Science, Artificial Intelligence
Yongtao Liu et al.
Summary: This article reports on the development and implementation of a machine learning framework that actively discovers relationships between local domain structure and polarization-switching characteristics in ferroelectric materials. The framework utilizes hysteresis loops and their scalar descriptors to guide the discovery of these relationships via automated piezoresponse force microscopy and spectroscopy experiments. The results demonstrate that the discovery path and sampling points of on- and off-field hysteresis loops are largely different, indicating that they are dominated by different mechanisms. The proposed approach is applicable to a broad range of modern imaging and spectroscopy methods.
NATURE MACHINE INTELLIGENCE
(2022)
Editorial Material
Chemistry, Physical
Steven R. Spurgeon et al.
Summary: Electron microscopy plays a crucial role in various aspects of modern life, including materials development for quantum computing, energy, and medicine. In order to achieve transformative discoveries in the next decade, an open, highly integrated, and data-driven microscopy architecture is essential.
Editorial Material
Multidisciplinary Sciences
Abhaya K. Datye et al.
Summary: In the past decade, there has been a shift from skepticism to recognition of the importance of single atoms in heterogeneous catalysts. The next decade may see the industrial applications of durable single atom catalysts become widespread as manufacturing processes are perfected.
NATURE COMMUNICATIONS
(2021)
Article
Multidisciplinary Sciences
Ruoqian Lin et al.
Summary: A training library and deep learning method have been developed for precise atom segmentation, localization, denoising, and super-resolution processing in atomic-resolution STEM images. Despite being trained on simulated images, the deep-learning model can adapt to experimental STEM images and shows outstanding performance in challenging contrast conditions.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Sergei Kalinin et al.
Summary: This approach utilizes a rotationally invariant extension of the variational autoencoder to describe systems undergoing large-scale structural changes and chemical transformations, extracting maximum original information while seeking an effective reduced representation. It allows exploration of dynamic evolution of processes and introduces bottom-up order parameters to study atomic scale and mesoscopic phenomena with time and external stimuli.
Article
Chemistry, Multidisciplinary
Shuhui Liu et al.
Summary: Atom dispersion in metal supported catalysts is crucial for their catalytic performances. Traditional spectroscopy methods are unable to accurately distinguish different structures. By using a methodology called electron-microscopy-based atom recognition statistics (EMARS), catalyst dispersion can be redefined at atomic precision in real space.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Nanoscience & Nanotechnology
Jian Gu et al.
Summary: The synergistic effect of metal-support interactions and spatial confinement enhances the catalytic performance of highly loaded atomic nickel on a graphitic carbon nitride support, leading to improved coke inhibition and outstanding activity in hydrogenation reactions. This approach provides a pathway to design efficient, stable, and highly loaded atomically dispersed catalysts with superior catalytic performance compared to traditional metal nanoparticles.
NATURE NANOTECHNOLOGY
(2021)
Article
Chemistry, Physical
Zhaoyu Jin et al.
Summary: Regulating the site density of single-atom catalysts can significantly improve electrocatalysis performance, such as the oxygen reduction reaction. Strong interactions between adjacent Fe-N-4 moieties can enhance intrinsic ORR activity, with a marked improvement continuing until neighbouring Fe atoms approach as close as about 0.7 nm. Identifying the fundamental mechanism of the inter-site distance effect in Fe-N-4 catalysts may maximize the potential of densely populated SACs.
Article
Biochemical Research Methods
Pauli Virtanen et al.
Article
Chemistry, Physical
Anxiang Guan et al.
ACS ENERGY LETTERS
(2020)
Review
Chemistry, Multidisciplinary
Selina K. Kaiser et al.
Review
Chemistry, Multidisciplinary
Hong-Ying Zhuo et al.
Review
Chemistry, Multidisciplinary
Yuxuan Wang et al.
Article
Multidisciplinary Sciences
Hui Wang et al.
NATURE COMMUNICATIONS
(2019)
Article
Nanoscience & Nanotechnology
Hongliang Li et al.
NATURE NANOTECHNOLOGY
(2018)
Review
Chemistry, Multidisciplinary
Aiqin Wang et al.
NATURE REVIEWS CHEMISTRY
(2018)
Article
Materials Science, Multidisciplinary
Eric Schwenker et al.
MICROSCOPY AND MICROANALYSIS
(2018)
Review
Chemistry, Physical
Xinjiang Cui et al.
Article
Chemistry, Multidisciplinary
Maxim Ziatdinov et al.
Article
Chemistry, Physical
Marcal Capdevila-Cortada et al.
Article
Chemistry, Multidisciplinary
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2011)
Article
Physics, Condensed Matter
W. Tang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2009)
Article
Materials Science, Multidisciplinary
M Cococcioni et al.
