High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery
High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable att...
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| Published in | Science (American Association for the Advancement of Science) Vol. 376; no. 6589; p. eabn3103 |
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| Main Authors | , , , , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
The American Association for the Advancement of Science
08.04.2022
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| Subjects | |
| Online Access | Get full text |
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| Abstract | High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable attention for catalyst design and exploration. However, this strong potential is also accompanied by grand challenges originating from their vast compositional space and complex atomic structure, which hinder comprehensive exploration and fundamental understanding. Through a multidisciplinary view of synthesis, characterization, catalytic applications, high-throughput screening, and data-driven materials discovery, this review is dedicated to discussing the important progress of high-entropy nanoparticles and unveiling the critical needs for their future development for catalysis, energy, and sustainability applications.
Multielement nanoparticles are attractive for a variety of applications in catalysis, energy, and other fields. A more diverse range and larger number of elements can be mixed together because of high-entropy mixing states accessed by a number of recently developed techniques. Yao
et al
. review these techniques along with characterization methods, high-throughput screening, and data-driven discovery for targeted applications. The wide range of different elements that can be mixed together presents a large number of opportunities and challenges. —BG
A review highlights improvements in synthesizing and stabilizing multielement nanoparticles. |
|---|---|
| AbstractList | High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable attention for catalyst design and exploration. However, this strong potential is also accompanied by grand challenges originating from their vast compositional space and complex atomic structure, which hinder comprehensive exploration and fundamental understanding. Through a multidisciplinary view of synthesis, characterization, catalytic applications, high-throughput screening, and data-driven materials discovery, this review is dedicated to discussing the important progress of high-entropy nanoparticles and unveiling the critical needs for their future development for catalysis, energy, and sustainability applications. High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable attention for catalyst design and exploration. However, this strong potential is also accompanied by grand challenges originating from their vast compositional space and complex atomic structure, which hinder comprehensive exploration and fundamental understanding. Through a multidisciplinary view of synthesis, characterization, catalytic applications, high-throughput screening, and data-driven materials discovery, this review is dedicated to discussing the important progress of high-entropy nanoparticles and unveiling the critical needs for their future development for catalysis, energy, and sustainability applications.High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable attention for catalyst design and exploration. However, this strong potential is also accompanied by grand challenges originating from their vast compositional space and complex atomic structure, which hinder comprehensive exploration and fundamental understanding. Through a multidisciplinary view of synthesis, characterization, catalytic applications, high-throughput screening, and data-driven materials discovery, this review is dedicated to discussing the important progress of high-entropy nanoparticles and unveiling the critical needs for their future development for catalysis, energy, and sustainability applications. High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy mixing states (i.e., solid-solution) that can lead to tunable activity and enhanced stability, these nanoparticles have received notable attention for catalyst design and exploration. However, this strong potential is also accompanied by grand challenges originating from their vast compositional space and complex atomic structure, which hinder comprehensive exploration and fundamental understanding. Through a multidisciplinary view of synthesis, characterization, catalytic applications, high-throughput screening, and data-driven materials discovery, this review is dedicated to discussing the important progress of high-entropy nanoparticles and unveiling the critical needs for their future development for catalysis, energy, and sustainability applications. Multielement nanoparticles are attractive for a variety of applications in catalysis, energy, and other fields. A more diverse range and larger number of elements can be mixed together because of high-entropy mixing states accessed by a number of recently developed techniques. Yao et al . review these techniques along with characterization methods, high-throughput screening, and data-driven discovery for targeted applications. The wide range of different elements that can be mixed together presents a large number of opportunities and challenges. —BG A review highlights improvements in synthesizing and stabilizing multielement nanoparticles. BACKGROUNDHigh-entropy nanoparticles contain more than four elements uniformly mixed into a solid-solution structure, offering opportunities for materials discovery, property optimization, and advanced applications. For example, the compositional flexibility of high-entropy nanoparticles enables fine-tuning of the catalytic activity and selectivity, and high-entropy mixing offers structural stability under harsh operating conditions. In addition, the multielemental synergy in high-entropy nanoparticles provides a diverse range of adsorption sites, which is ideal for multistep tandem reactions or reactions that require multifunctional catalysts. However, the wide range of possible compositions and complex atomic arrangements also create grand challenges in synthesizing, characterizing, understanding, and applying high-entropy nanoparticles. For example, controllable synthesis is challenging given the different physicochemical properties within the multielemental compositions combined with the small size and large surface area. Moreover, random multielemental mixing can make it difficult to precisely characterize the individual nanoparticles and their statistical variations. Without rational understanding and guidance, efficient compositional design and performance optimization within the huge multielemental space is nearly impossible.ADVANCESThe comprehensive study of high-entropy nanoparticles has become feasible because of the rapid development of synthetic approaches, high-resolution characterization, high-throughput experimentation, and data-driven discovery. A diverse range of compositions and material libraries have been developed, many by using nonequilibrium “shock”–based methods designed to induce single-phase mixing even for traditionally immiscible elemental combinations. The nanomaterial types have also rapidly evolved from crystalline metallic alloys to metallic glasses, oxides, sulfides, phosphates, and others. Advanced characterization tools have been used to uncover the structural complexities of high-entropy nanoparticles. For example, atomic electron tomography has been used for single-atom-level resolution of the three-dimensional positions of the elements and their chemical environments. Finally, high-entropy nanoparticles have already shown promise in a wide range of catalysis and energy technologies because of their atomic structure and tunable electronic states. The development of high-throughput computational and experimental methods can accelerate the material exploration rate and enable machine-learning tools that are ideal for performance prediction and guided optimization. Materials discovery platforms, such as high-throughput exploration and data mining, may disruptively supplant conventional trial-and-error approaches for developing next-generation catalysts based on high-entropy nanoparticles.OUTLOOKHigh-entropy nanoparticles provide an enticing material platform for different applications. Being at an initial stage, enormous opportunities and grand challenges exist for these intrinsically complex materials. For the next stage of research and applications, we need (i) the controlled synthesis of high-entropy nanoparticles with targeted surface compositions and atomic arrangements; (ii) fundamental studies of surfaces, ordering, defects, and the dynamic evolution of high-entropy nanoparticles under catalytic conditions through precise structural characterization; (iii) identification and understanding of the active sites and performance origin (especially the enhanced stability) of high-entropy nanoparticles; and (iv) high-throughput computational and experimental techniques for rapid screening and data mining toward accelerated exploration of high-entropy nanoparticles in a multielemental space. We expect that discoveries about the synthesis-structure-property relationships of high-entropy nanoparticles and their guided discovery will greatly benefit a range of applications for catalysis, energy, and sustainability.Diversifying nanoparticlesMultielement nanoparticles are attractive for a variety of applications in catalysis, energy, and other fields. A more diverse range and larger number of elements can be mixed together because of high-entropy mixing states accessed by a number of recently developed techniques. Yao et al. review these techniques along with characterization methods, high-throughput screening, and data-driven discovery for targeted applications. The wide range of different elements that can be mixed together presents a large number of opportunities and challenges. —BG |
| Author | Kevrekidis, Ioannis G. Hu, Liangbing Miao, Jianwei Dong, Qi Anapolsky, Abraham Luo, Jian Ren, Zhiyong Jason Wang, Chao Brozena, Alexandra Greeley, Jeffrey Wang, Guofeng Yao, Yonggang Chi, Miaofang |
| Author_xml | – sequence: 1 givenname: Yonggang orcidid: 0000-0002-9191-2982 surname: Yao fullname: Yao, Yonggang organization: Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA – sequence: 2 givenname: Qi orcidid: 0000-0002-7553-4213 surname: Dong fullname: Dong, Qi organization: Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA – sequence: 3 givenname: Alexandra orcidid: 0000-0002-5045-2123 surname: Brozena fullname: Brozena, Alexandra organization: Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA – sequence: 4 givenname: Jian orcidid: 0000-0002-5424-0216 surname: Luo fullname: Luo, Jian organization: Department of NanoEngineering, Program of Materials Science and Engineering, University of California San Diego, La Jolla, CA 92093, USA – sequence: 5 givenname: Jianwei orcidid: 0000-0003-4033-3945 surname: Miao fullname: Miao, Jianwei organization: Department of Physics and Astronomy and California NanoSystems Institute, University of California, Los Angeles, Los Angeles, CA 90095, USA – sequence: 6 givenname: Miaofang orcidid: 0000-0003-0764-1567 surname: Chi fullname: Chi, Miaofang organization: Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37932, USA – sequence: 7 givenname: Chao orcidid: 0000-0001-7398-2090 surname: Wang fullname: Wang, Chao organization: Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218, USA – sequence: 8 givenname: Ioannis G. orcidid: 0000-0003-2220-3522 surname: Kevrekidis fullname: Kevrekidis, Ioannis G. organization: Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218, USA – sequence: 9 givenname: Zhiyong Jason orcidid: 0000-0001-7606-0331 surname: Ren fullname: Ren, Zhiyong Jason organization: Department of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment, Princeton University, Princeton, NJ 08544, USA – sequence: 10 givenname: Jeffrey orcidid: 0000-0001-8469-1715 surname: Greeley fullname: Greeley, Jeffrey organization: School of Chemical Engineering, Purdue University, West Lafayette, IN 47907, USA – sequence: 11 givenname: Guofeng orcidid: 0000-0001-8249-4101 surname: Wang fullname: Wang, Guofeng organization: Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, PA 15261, USA – sequence: 12 givenname: Abraham surname: Anapolsky fullname: Anapolsky, Abraham organization: Toyota Research Institute, Los Altos, CA 94022, USA – sequence: 13 givenname: Liangbing orcidid: 0000-0002-9456-9315 surname: Hu fullname: Hu, Liangbing organization: Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA., Center for Materials Innovation, University of Maryland, College Park, MD 20742, USA |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/35389801$$D View this record in MEDLINE/PubMed |
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article-title: High-entropy metal sulfide nanoparticles promise high-performance oxygen evolution reaction publication-title: Adv. Energy Mater. – ident: e_1_3_1_51_2 doi: 10.1038/ncomms12332 – ident: e_1_3_1_110_2 doi: 10.1021/nl302992q – ident: e_1_3_1_93_2 doi: 10.1016/j.scriptamat.2019.02.015 – ident: e_1_3_1_20_2 doi: 10.1021/jacs.9b12377 – volume: 6 start-page: 1 year: 2020 ident: e_1_3_1_108_2 article-title: Graph theory approach to determine configurations of multidentate and high coverage adsorbates for heterogeneous catalysis. npj Comput publication-title: Mater. – ident: e_1_3_1_45_2 doi: 10.1002/aenm.202001119 – ident: e_1_3_1_4_2 doi: 10.1038/s41578-019-0121-4 – ident: e_1_3_1_39_2 doi: 10.1002/adfm.202006939 – ident: e_1_3_1_101_2 doi: 10.1038/nchem.121 – ident: e_1_3_1_35_2 doi: 10.1021/acsnano.0c03993 – ident: e_1_3_1_67_2 doi: 10.1021/acsnano.1c05113 – ident: e_1_3_1_65_2 doi: 10.1038/s41524-019-0205-0 – ident: e_1_3_1_6_2 doi: 10.1016/j.matlet.2015.08.032 – ident: e_1_3_1_50_2 doi: 10.1038/nmat4115 – ident: e_1_3_1_49_2 doi: 10.1126/science.aav4302 – ident: e_1_3_1_95_2 doi: 10.1002/adma.202106436 – ident: e_1_3_1_77_2 doi: 10.1038/s41467-020-20084-5 – ident: e_1_3_1_87_2 doi: 10.1021/acsnano.0c06528 – ident: e_1_3_1_46_2 doi: 10.1016/j.actamat.2016.08.081 – ident: e_1_3_1_52_2 – ident: e_1_3_1_96_2 doi: 10.1039/C7MH00486A – ident: e_1_3_1_79_2 doi: 10.1017/S1431927619001351 – ident: e_1_3_1_32_2 doi: 10.1021/acsmaterialslett.0c00484 – ident: e_1_3_1_11_2 doi: 10.1002/adma.202002853 |
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| Snippet | High-entropy nanoparticles have become a rapidly growing area of research in recent years. Because of their multielemental compositions and unique high-entropy... BACKGROUNDHigh-entropy nanoparticles contain more than four elements uniformly mixed into a solid-solution structure, offering opportunities for materials... |
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| SubjectTerms | Amorphous materials Atomic structure Cascade chemical reactions Catalysis Catalysts Catalytic activity Composition Computer applications Crystal defects Data mining Design optimization Electron states Energy Energy technology Entropy Evolution Experimental methods Experimentation Exploration High-throughput screening Literary Devices Machine learning Nanomaterials Nanoparticles Opportunities Optimization Phosphates Physicochemical properties Scientific Concepts Selectivity Solid solutions Structural analysis Structural stability Synthesis |
| Title | High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery |
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