Fig. 4: Density Functional Theory Calculations for Medium- and High-Entropy Doping. | Nature Communications

Fig. 4: Density Functional Theory Calculations for Medium- and High-Entropy Doping.

From: Anionic high-entropy doping engineering for electromagnetic wave absorption

Fig. 4

a Structurally optimized medium- and high-entropy doped atom models. White atoms are carbon atoms, light red atoms are O atoms, purple atoms are S atoms, green atoms are N atoms, blue atoms are B atoms, and yellow atoms are P atoms. b Charge density difference plots. c Comparison of Mulliken charges in each region. d Calculated polarizabilities. e Cole-Cole curves of 7−12 GHz. f Polarization loss/conductivity loss ratios of CNs(NS), CNs(NS,B), CNs(NS,P), and CNs(NS,P,B).

Back to article page