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filingDate 2019-01-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_450be36b4a057071b094653237b5c3f5
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publicationDate 2019-04-23-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber CN-109671471-A
titleOfInvention A Method for Descriptor Electrocatalytic Performance of Metal-Organic Framework Materials
abstract The present invention provides a method for descriptors of electrocatalytic performance of metal-organic framework materials. The method obtains descriptors of electrocatalytic performance of metal-organic framework materials through high-throughput flow calculation, thereby realizing rapid screening of high-performance metal-organic framework electrocatalysis. materials, and at the same time selectively guide the synthesis of metal-organic framework materials according to the needs of different catalytic reactions. The invention adopts high-throughput concurrent computing, which effectively shortens the data acquisition time, avoids the waste of resources caused by the traditional experiment-intensive "trial and error" experiments, reduces the research and development cost, and shortens the research and development cycle. Moreover, the obtained descriptors can be used for rapid screening of catalytic materials, effectively reducing the amount of calculation when high-throughput computing guides material screening, and the interactive mode of real-time feedback of experimental data from a small number of samples to theoretical calculation enables The efficiency and accuracy of theoretical calculations can be continuously improved and optimized, which has good practical value.
isCitedBy http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115646548-A
priorityDate 2019-01-24-04:00^^<http://www.w3.org/2001/XMLSchema#date>
type http://data.epo.org/linked-data/def/patent/Publication

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