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It was found that Kapitza resistance increases upon an increase of defect density in the grain boundary. Besides, among symmetric grain boundaries, 5-7-6-6 and 5-7-5-7 defect pairs showed the lowest (2 × 10-10 m2 K W-1) and highest (4.9 × 10-10 m2 K W-1) values of Kapitza resistance, respectively. Regarding parameters affecting Kapitza resistance, increased temperature and strain caused the rise and drop in Kaptiza thermal resistance, respectively. However, lengthier nanosheets had lower Kapitza thermal resistance. Moreover, changes in t