Computational design of BC3N2 based single atom catalyst for dramatic activation of inert CO2 and CH4 gasses into CH3COOH with ultralow CH4 dissociation barrier

Computational design of BC₃N₂ based single atom catalyst for dramatic activation of inert CO₂ and CH₄ gasses into CH₃COOH with ultralow CH₄ dissociation barrier

Chenxu Zhao, Menghui Xi, Jinrong Huo, Chaozheng He, Ling Fu

Computational design of BC₃N₂ based single atom catalyst for dramatic activation of inert CO₂ and CH₄ gasses into CH₃COOH with ultralow CH₄ dissociation barrier

Chenxu Zhao, Menghui Xi, Jinrong Huo, Chaozheng He, Ling Fu

中国化学快报 . 2023, (01): 107213 . DOI: 10.1016/j.cclet.2022.02.018