Spin transport in the phenalenyl radical throughout molecular dynamics trajectories

Key Points

• The objective is to assess the persistency of spin filtering in phenalenyl radicals amidst thermal atomic motion.
• Conducted molecular dynamics simulations to analyze spin transport.
• Evaluated effects of thermal motion on spin filter efficiency and conductance.
• Demonstrated that phenalenyl radicals can maintain spin filtering even with thermal agitation.
• Indicated that the spin filter efficiency varies with different states of atomic motion.