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|a 10.1002/adma.202303098
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|a eng
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|a Yan, Qimin
|e verfasserin
|4 aut
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|a The Case for a Defect Genome Initiative
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|c 2024
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|a Date Completed 15.03.2024
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|a Date Revised 06.06.2024
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a © 2024 The Authors. Advanced Materials published by Wiley-VCH GmbH.
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|a The Materials Genome Initiative (MGI) has streamlined the materials discovery effort by leveraging generic traits of materials, with focus largely on perfect solids. Defects such as impurities and perturbations, however, drive many attractive functional properties of materials. The rich tapestry of charge, spin, and bonding states hosted by defects are not accessible to elements and perfect crystals, and defects can thus be viewed as another class of "elements" that lie beyond the periodic table. Accordingly, a Defect Genome Initiative (DGI) to accelerate functional defect discovery for energy, quantum information, and other applications is proposed. First, major advances made under the MGI are highlighted, followed by a delineation of pathways for accelerating the discovery and design of functional defects under the DGI. Near-term goals for the DGI are suggested. The construction of open defect platforms and design of data-driven functional defects, along with approaches for fabrication and characterization of defects, are discussed. The associated challenges and opportunities are considered and recent advances towards controlled introduction of functional defects at the atomic scale are reviewed. It is hoped this perspective will spur a community-wide interest in undertaking a DGI effort in recognition of the importance of defects in enabling unique functionalities in materials
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|a Journal Article
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|a Materials Genome Initiative
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|a defects
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|a energy
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|a machine learning
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|a quantum information science
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|a Kar, Swastik
|e verfasserin
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1 |
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|a Chowdhury, Sugata
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|a Bansil, Arun
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|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 36(2024), 11 vom: 01. März, Seite e2303098
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|x 1521-4095
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|g volume:36
|g year:2024
|g number:11
|g day:01
|g month:03
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|u http://dx.doi.org/10.1002/adma.202303098
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