Single-atom metal-modified graphenylene as a high-activity catalyst for CO and NO oxidation

• DOI: 10.1039/d0cp01062f
• Publication Date: 2020-07-07T16:10:33Z
• Authors: Yanan Tang; Weiguang Chen; Hongwei Zhang; Zhiwen Wang; Da Teng; Yingqi Cui; Zhen Feng; Xianqi Dai
• Keywords: 01 natural sciences; 7. Clean energy; 0104 chemical sciences

Herein, the adsorption behaviors and interactions of different gas species on single-metal atom-anchored graphenylene (M–graphenylene, M = Mn, Co, Ni, Cu) sheets were investigated by first-principles calculations.