# Rapid discovery of new Eu2+-activated phosphors with a designed luminescence color using a data-driven approach https://mdr.nims.go.jp/datasets/135a07a6-821d-4480-8f76-44d867b2e074 ## Files - [Na2Ca2Si2O7.cif](https://mdr.nims.go.jp/filesets/08cb8131-9dcb-49ba-a555-71a1708f3e97/download) ([Detail](https://mdr.nims.go.jp/filesets/08cb8131-9dcb-49ba-a555-71a1708f3e97.md)) - [SrLaGaO4.cif](https://mdr.nims.go.jp/filesets/1a5f6bf7-9bd4-4d91-9266-9c48ca43cadf/download) ([Detail](https://mdr.nims.go.jp/filesets/1a5f6bf7-9bd4-4d91-9266-9c48ca43cadf.md)) - [printcif_Li2Ca4Si4O13.pdf](https://mdr.nims.go.jp/filesets/9a1292dc-f826-4340-9b27-a455a9be9c17/download) ([Detail](https://mdr.nims.go.jp/filesets/9a1292dc-f826-4340-9b27-a455a9be9c17.md)) - [printcif_Na2Ca2Si2O7.pdf](https://mdr.nims.go.jp/filesets/117560f5-bf29-4cd4-9179-3a2f83431852/download) ([Detail](https://mdr.nims.go.jp/filesets/117560f5-bf29-4cd4-9179-3a2f83431852.md)) - [d2ma00881e.pdf](https://mdr.nims.go.jp/filesets/fcaeedc2-0180-470c-af42-ec87e7356505/download) ([Detail](https://mdr.nims.go.jp/filesets/fcaeedc2-0180-470c-af42-ec87e7356505.md)) - [d2ma00881e1.pdf](https://mdr.nims.go.jp/filesets/fe3b6d6d-5773-4d9d-975a-8bc02d6062c5/download) ([Detail](https://mdr.nims.go.jp/filesets/fe3b6d6d-5773-4d9d-975a-8bc02d6062c5.md)) - [Li2Ca4Si4O13.cif](https://mdr.nims.go.jp/filesets/4988699d-f977-4bf1-93e9-4b0e266f44c2/download) ([Detail](https://mdr.nims.go.jp/filesets/4988699d-f977-4bf1-93e9-4b0e266f44c2.md)) - [printcif_SrLaGaO4.pdf](https://mdr.nims.go.jp/filesets/4d2585c9-7c0a-4089-86f2-fbd9b54236a4/download) ([Detail](https://mdr.nims.go.jp/filesets/4d2585c9-7c0a-4089-86f2-fbd9b54236a4.md)) ## Id 135a07a6-821d-4480-8f76-44d867b2e074 ## Local identifier ## Visibility open_to_public ## State published ## Created at 2023-01-18T08:40:43.738187Z ## Updated at 2024-01-05T13:11:23.808792Z ## Published at 2023-01-20T01:13:46.862000Z ## Doi https://doi.org/10.48505/nims.3845 ## First published url https://doi.org/10.1039/D2MA00881E ## Date published 2022-11-29 ## Recorded date published 2023-1-4 ## Resource type journal_article ## Manuscript type vor ## Collection ## Title - title: Rapid discovery of new Eu2+-activated phosphors with a designed luminescence color using a data-driven approach title_type: original lang: en ## Description - description: For rapid and efficient development of new phosphors, a suitable method that proposes promising candidates is expected to focus time-consuming trial-and-error experiments. A data-driven approach to discover new phosphor materials with a designed luminescence color is demonstrated in this paper. To screen compounds for a desirable luminescence color, a machine learning model has been developed for predicting emission peak wavelengths from a dataset composed of 129 Eu2+-activated phosphors. General-purpose compositional and structural features are used to represent host compounds of phosphors. Bootstrap aggregation with the gradient boosted regression trees method is adopted to obtain high predictive performance and to avoid overfitting. The predictive performance of the machine learning model is estimated to be 25 nm of mean absolute error (MAE) and 33 nm of root mean squared error (RMSE) by 10-fold cross validation. To discover new green-emitting Eu2+-activated phosphors, twenty candidate compounds have been selected to have predicted emission peak wavelengths of about 500–550 nm from a materials database, and the candidates have been synthesized and characterized by experiments. Three new Eu2+-activated phosphors, Li2Ca4Si4O13:Eu2+, Na2Ca2Si2O7:Eu2+, and SrLaGaO4:Eu2+, successfully show green or blue-green emissions as designed. description_type: abstract lang: eng ## Creator - name: Yukinori Koyama role: author orcid: https://orcid.org/0000-0002-7090-4430 organization: National Institute for Materials Science department: Research and Services Division of Materials Data and Integrated System ror: https://ror.org/026v1ze26 - name: Hidekazu Ikeno role: author organization: Osaka Metropolitan University - name: Masamichi Harada role: author organization: National Institute for Materials Science department: Research Center for Functional Materials ror: https://ror.org/026v1ze26 - name: Shiro Funahashi role: author organization: National Institute for Materials Science department: Research Center for Functional Materials ror: https://ror.org/026v1ze26 - name: Takashi Takeda role: author orcid: https://orcid.org/0000-0003-2510-4562 organization: National Institute for Materials Science department: Research Center for Functional Materials ror: https://ror.org/026v1ze26 - name: Naoto Hirosaki role: author organization: National Institute for Materials Science department: Research Center for Functional Materials ror: https://ror.org/026v1ze26 ## Contact agent ## Publisher organization: Royal Society of Chemistry ## Managing organization ## Keyword - subject: phosphor schema: not_defined - subject: materials design schema: not_defined - subject: machine learning schema: not_defined - subject: luminescence schema: not_defined - subject: emission spectrum schema: not_defined - subject: Eu2+ schema: not_defined ## Rights - description: Creative Commons BY Attribution 4.0 International identifier: https://creativecommons.org/licenses/by/4.0/ ## Other identifier(s) ## Data origin ## Embargo ## Journal - title: Materials Advances issn: '26335409' volume: '4' issue: '1' start_page: 231 end_page: 239 ## Conference ## Related item ## Funding - identifier: JPMJCR19J2 funder_name: JST description: CREST ## Instrument ## Instrument operator ## Instrument managing organization ## Measurement method ## Specimen ## Chemical composition ## Structure for specimen ## Structural feature for specimen ## Specific property for specimen ## Process for specimen treatment ## Computational method ## Energy level/transition state ## Software ## Custom property ## Fileset - id: '08cb8131-9dcb-49ba-a555-71a1708f3e97' filename: Na2Ca2Si2O7.cif content_type: chemical/x-cif size: 2810919 md5: c7b88cf01f1fd5c296dc7ffa946103c7 - id: 1a5f6bf7-9bd4-4d91-9266-9c48ca43cadf filename: SrLaGaO4.cif content_type: chemical/x-cif size: 206696 md5: 76c219e685c724fc4fc0097c42f6a651 - id: 9a1292dc-f826-4340-9b27-a455a9be9c17 filename: printcif_Li2Ca4Si4O13.pdf content_type: application/pdf size: 90089 md5: 06ebeb3f038c269b96b3563d793d00f1 - id: 117560f5-bf29-4cd4-9179-3a2f83431852 filename: printcif_Na2Ca2Si2O7.pdf content_type: application/pdf size: 183848 md5: be79fd00911ae64ab699c2085b39bb1e - id: fcaeedc2-0180-470c-af42-ec87e7356505 filename: d2ma00881e.pdf content_type: application/pdf size: 1552646 md5: 418e14fd31c904580dc69b445d321fe5 - id: fe3b6d6d-5773-4d9d-975a-8bc02d6062c5 filename: d2ma00881e1.pdf content_type: application/pdf size: 515852 md5: f186aa4aad2ce8a24c514a79decba64b - id: 4988699d-f977-4bf1-93e9-4b0e266f44c2 filename: Li2Ca4Si4O13.cif content_type: chemical/x-cif size: 664117 md5: 3caf8fdc0c1253328a5889ed09a337a4 - id: 4d2585c9-7c0a-4089-86f2-fbd9b54236a4 filename: printcif_SrLaGaO4.pdf content_type: application/pdf size: 61149 md5: 7dd37b89713f7c746fab5c091e2b807f ## Thumbnail fileset_id: fcaeedc2-0180-470c-af42-ec87e7356505 filename: d2ma00881e.pdf