Mass specific performance of potassium tetrabromoaurate as a carbon nanotube dopant

Improvements in carbon based conductors can impact the development of a variety of new electronic and optoelectronic devices, and may offer significant weight savings (over copper), important in mass sensitive applications such as aircraft design. Published experimental work indicates that chemical doping offers the most likely route to high specific conductivity carbon-based wiring. Interpretation of the test data on potassium tetrabromoaurate, the most successful carbon nanotube dopant tested to date, is complicated by the possibility that the nominal dopant molecule and the 'in situ' configuration of the dopant species may differ, due to disassociation, ionization, or other chemical effects. Ab initio modeling of KAuBr4 doping, in both molecular and disassociated forms, allows for the theoretical isolation of molecular, molecular fragment, and atomic dopant effects on metallic and semiconducting tubes, as a function of dopant concentration. The modeling results suggest that the dopant is most effective in a disassociated form, but that KAuBr4 doping is not likely to produce high specific conductivity CNT wiring.

Automated summary

Improvements in carbon-based conductors can impact the development of new electronic and optoelectronic devices, potentially offering significant weight savings compared to copper, which is important in mass sensitive applications such as aircraft design. Chemical doping is seen as the most likely route to high specific conductivity carbon-based wiring, with the testing of potassium tetrabromoaurate showing potential complications due to differences in the nominal dopant molecule and the 'in situ' configuration of the dopant species. Ab initio modeling of KAuBr4 doping suggests that the dopant is most effective in a disassociated form, but overall, KAuBr4 doping is unlikely to produce high specific conductivity CNT wiring.