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Advanced machine learning decision policies for diameter control of carbon nanotubes
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作者 Rahul Rao Jennifer Carpena-Núñez +3 位作者 Pavel Nikolaev michael a.susner Kristofer G.Reyes Benji Maruyama 《npj Computational Materials》 SCIE EI CSCD 2021年第1期1454-1462,共9页
The diameters of single-walled carbon nanotubes(SWCNTs)are directly related to their electronic properties,making diameter control highly desirable for a number of applications.Here we utilized a machine learning plan... The diameters of single-walled carbon nanotubes(SWCNTs)are directly related to their electronic properties,making diameter control highly desirable for a number of applications.Here we utilized a machine learning planner based on the Expected Improvement decision policy that mapped regions where growth was feasible vs.not feasible and further optimized synthesis conditions to selectively grow SWCNTs within a narrow diameter range.We maximized two ranges corresponding to Raman radial breathing mode frequencies around 265 and 225 cm^(−1)(SWCNT diameters around 0.92 and 1.06 nm,respectively),and our planner found optimal synthesis conditions within a hundred experiments.Extensive post-growth characterization showed high selectivity in the optimized growth experiments compared to the unoptimized growth experiments.Remarkably,our planner revealed significantly different synthesis conditions for maximizing the two diameter ranges in spite of their relative closeness.Our study shows the promise for machine learning-driven diameter optimization and paves the way towards chirality-controlled SWCNT growth. 展开更多
关键词 synthesis CARBON DIAMETERS
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