Year: 2019
Type: article
Abstract: $T\phantom{\rule{0}{0ex}}h\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}r\phantom{\rule{0}{0ex}}m\phantom{\rule{0}{0ex}}a\phantom{\rule{0}{0ex}}l$ $d\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}d\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}s$ are attractive for applications in harvesting waste heat and phonon manipulation, but a sufficient rectification ratio has yet to be achieved. Here nonequilibrium simulations of ``molecular bridges'' covalently bonding a carbon nanotube to gold reveal asymmetric heat flux across these nanostructures, resulting in significant thermal rectification. This is due the mismatch of vibrational modes between neighboring sulfur and carbon atoms. The results show a path toward $e.g.$ high-efficiency chip cooling, and molecular phononics.
Source: Physical Review Applied
Institutions: University of Missouri, Columbia University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2914824267