{"id":712462,"date":"2020-12-12T21:05:09","date_gmt":"2020-12-13T05:05:09","guid":{"rendered":"https:\/\/www.microsoft.com\/en-us\/research\/?post_type=msr-research-item&p=712462"},"modified":"2020-12-12T21:05:09","modified_gmt":"2020-12-13T05:05:09","slug":"accelerated-development-of-perovskite-inspired-materials-via-high-throughput-synthesis-and-machine-learning-diagnosis","status":"publish","type":"msr-research-item","link":"https:\/\/www.microsoft.com\/en-us\/research\/publication\/accelerated-development-of-perovskite-inspired-materials-via-high-throughput-synthesis-and-machine-learning-diagnosis\/","title":{"rendered":"Accelerated Development of Perovskite-Inspired Materials via High-Throughput Synthesis and Machine-Learning Diagnosis"},"content":{"rendered":"

Summary Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique perovskite-inspired compositions within a 2-month period, with 87% exhibiting band gaps between 1.2 and 2.4 eV, which are of interest for energy-harvesting applications. We utilize a fully connected deep neural network to classify compounds based on experimental X-ray diffraction data into 0D, 2D, and 3D structures, more than 10 times faster than human analysis and with 90% accuracy. We validate our methods using lead-halide perovskites and extend the application to lead-free compositions. The wider synthesis window and faster cycle of learning enables the realization of a multi-site lead-free alloy series, Cs3(Bi1-xSbx)2(I1-xBrx)9. We reveal the non-linear band-gap behavior and transition in dimensionality upon simultaneous alloying on the B-site and X-site of Cs3Bi2I9 with Sb and Br.<\/p>\nOpens in a new tab<\/span>","protected":false},"excerpt":{"rendered":"

Summary Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique perovskite-inspired compositions within a 2-month period, with 87% exhibiting band gaps between 1.2 and 2.4 eV, which are of interest for energy-harvesting applications. We utilize a fully connected […]<\/p>\n","protected":false},"featured_media":0,"template":"","meta":{"msr-url-field":"","msr-podcast-episode":"","msrModifiedDate":"","msrModifiedDateEnabled":false,"ep_exclude_from_search":false,"footnotes":""},"msr-content-type":[3],"msr-research-highlight":[],"research-area":[13556,198583],"msr-publication-type":[193715],"msr-product-type":[],"msr-focus-area":[],"msr-platform":[],"msr-download-source":[],"msr-field-of-study":[246673,248470,248389,248476,248473,247912,248425,248419,248464,248068],"msr-conference":[],"msr-journal":[],"msr-impact-theme":[],"msr-pillar":[],"msr_publishername":"","msr_edition":"","msr_affiliation":"","msr_published_date":"2019-6-18","msr_host":"","msr_duration":"","msr_version":"","msr_speaker":"","msr_other_contributors":"","msr_booktitle":"","msr_pages_string":"","msr_chapter":"","msr_isbn":"","msr_journal":"Joule","msr_volume":"3","msr_number":"","msr_editors":"","msr_series":"","msr_issue":"6","msr_organization":"","msr_how_published":"","msr_notes":"","msr_highlight_text":"","msr_release_tracker_id":"","msr_original_fields_of_study":"","msr_download_urls":"","msr_external_url":"","msr_secondary_video_url":"","msr_longbiography":"","msr_microsoftintellectualproperty":0,"msr_main_download":"","msr_publicationurl":"","msr_doi":"","msr_publication_uploader":[{"type":"doi","viewUrl":"false","id":"false","title":"10.1016\/J.JOULE.2019.05.014","label_id":"243106","label":0},{"type":"url","viewUrl":"false","id":"false","title":"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2542435119302570","label_id":"243109","label":0}],"msr_related_uploader":"","msr_attachments":[],"msr-author-ordering":[{"type":"text","value":"Shijing Sun","user_id":0,"rest_url":false},{"type":"text","value":"Noor T.P. Hartono","user_id":0,"rest_url":false},{"type":"text","value":"Zekun D. Ren","user_id":0,"rest_url":false},{"type":"text","value":"Zekun D. Ren","user_id":0,"rest_url":false},{"type":"text","value":"Felipe Oviedo","user_id":0,"rest_url":false},{"type":"text","value":"Antonio M. Buscemi","user_id":0,"rest_url":false},{"type":"text","value":"Mariya Layurova","user_id":0,"rest_url":false},{"type":"text","value":"De Xin Chen","user_id":0,"rest_url":false},{"type":"text","value":"Tofunmi Ogunfunmi","user_id":0,"rest_url":false},{"type":"text","value":"Janak Thapa","user_id":0,"rest_url":false},{"type":"text","value":"Savitha Ramasamy","user_id":0,"rest_url":false},{"type":"text","value":"Charles Settens","user_id":0,"rest_url":false},{"type":"text","value":"Charles Settens","user_id":0,"rest_url":false},{"type":"text","value":"Brian L. DeCost","user_id":0,"rest_url":false},{"type":"text","value":"Aaron G. Kusne","user_id":0,"rest_url":false},{"type":"text","value":"Zhe Liu","user_id":0,"rest_url":false},{"type":"text","value":"Siyu I.P. Tian","user_id":0,"rest_url":false},{"type":"text","value":"Siyu I.P. Tian","user_id":0,"rest_url":false},{"type":"text","value":"Ian Marius Peters","user_id":0,"rest_url":false},{"type":"text","value":"Juan-Pablo Correa-Baena","user_id":0,"rest_url":false},{"type":"text","value":"Tonio Buonassisi","user_id":0,"rest_url":false},{"type":"text","value":"Tonio Buonassisi","user_id":0,"rest_url":false}],"msr_impact_theme":[],"msr_research_lab":[],"msr_event":[],"msr_group":[768895],"msr_project":[],"publication":[],"video":[],"download":[],"msr_publication_type":"article","_links":{"self":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-research-item\/712462"}],"collection":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-research-item"}],"about":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/types\/msr-research-item"}],"version-history":[{"count":1,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-research-item\/712462\/revisions"}],"predecessor-version":[{"id":712465,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-research-item\/712462\/revisions\/712465"}],"wp:attachment":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/media?parent=712462"}],"wp:term":[{"taxonomy":"msr-content-type","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-content-type?post=712462"},{"taxonomy":"msr-research-highlight","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-research-highlight?post=712462"},{"taxonomy":"msr-research-area","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/research-area?post=712462"},{"taxonomy":"msr-publication-type","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-publication-type?post=712462"},{"taxonomy":"msr-product-type","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-product-type?post=712462"},{"taxonomy":"msr-focus-area","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-focus-area?post=712462"},{"taxonomy":"msr-platform","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-platform?post=712462"},{"taxonomy":"msr-download-source","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-download-source?post=712462"},{"taxonomy":"msr-field-of-study","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-field-of-study?post=712462"},{"taxonomy":"msr-conference","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-conference?post=712462"},{"taxonomy":"msr-journal","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-journal?post=712462"},{"taxonomy":"msr-impact-theme","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-impact-theme?post=712462"},{"taxonomy":"msr-pillar","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-pillar?post=712462"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}