title: New insights into highly efficient reduction of CO2 to formic acid by using zinc under mild hydrothermal conditions: a joint experimental and theoretical study.
abstract: We report here a theoretical study with quantum chemical calculations based on experimental results to understand highly efficient reduction of CO2 to formic acid by using zinc under hydrothermal conditions. Results showed that zinc hydride (Zn-H) is a key intermediate species in the reduction of CO2 to formic acid, which demonstrates that the formation of formic acid is through an SN2-like mechanism.
authors.affiliation: School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China. fmjin@sjtu.edu.cn.
authors.forename: Xu
authors.initials: X
authors.lastname: Zeng
authors.forename: Makoto
authors.initials: M
authors.lastname: Hatakeyama
authors.forename: Koji
authors.initials: K
authors.lastname: Ogata
authors.forename: Jianke
authors.initials: J
authors.lastname: Liu
authors.forename: Yuanqing
authors.initials: Y
authors.lastname: Wang
authors.forename: Qi
authors.initials: Q
authors.lastname: Gao
authors.forename: Katsushi
authors.initials: K
authors.lastname: Fujii
authors.forename: Masamichi
authors.initials: M
authors.lastname: Fujihira
authors.forename: Fangming
authors.initials: F
authors.lastname: Jin
authors.forename: Shinichiro
authors.initials: S
authors.lastname: Nakamura