New insights into highly efficient reduction of CO2 to formic acid by using zinc under mild hydrothermal conditions: a joint experimental and theoretical study.
نویسندگان
چکیده
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.
منابع مشابه
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 16 37 شماره
صفحات -
تاریخ انتشار 2014