Coordination Environment‐Mediated Different Heteroatomic Configuration from Doping Strategy for Enhancing Microwave Absorption
Shaoyao Tian, Zhihao Sun, Han Ding, Zihao Guo, Peng Wang, Yu Qiu, Benli Du, Jingyu Bi, Guangshen Li, Lei Qian
Abstract
Abstract Heteroatom doping strategy, as a method to construct complex coordinated configurations, can effectively improve the microwave absorption (MA) performance. However, the correlation between coordination environment/configurations and MA remains ambiguous until now. Herein, S‐doped Co x P@C (S‐CoP@SC and S‐Co 2 P@SC) composites with 6 and 9 coordination environment are prepared by unsaturated S‐doping process. Alteration of the coordination environment resulted in a variety of S coordination configurations, which is used to regulate their proportions. Density functional theory indicated that multiple coordination configurations in S‐CoP@SC effectively improved charge transport characteristics and changed charge distribution, which enhanced the conductive and polarization loss. However, for the S‐Co 2 P@SC these coordination configurations reduced the Co 2 P metallicity, hindering the improvement of conductive loss. As a result, the minimum reflection loss (RL min ) of S‐CoP@SC reached −66.0 dB with effective absorption bandwidth (EAB) of 5.0 GHz, compared with the RL min of CoP@C of −25.7 dB with EAB of 2.1 GHz. In contrast, S‐Co 2 P@SC only improved its RL min from −30.3 dB (Co 2 P@C) to ‐56.6 dB with the low EAB of 2.8 GHz. This work revealed the relationship between coordination environments/configurations and MA performance and provided a novel perspective for the design of absorbers in the MA field at the atomic scale.