Molecular simulation combined with DFT calculation guided heteroatom-doped biochar rational design for highly selective and efficient CO2 capture

Hongxian Li, Minghui Tang*, Ling Wang, Qi Liu, Fan Yao, Zhiyuan Gong, Yunchao Li, Shengyong Lu, Jianhua Yan

*此作品的通讯作者

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Chemical Engineering