Data for: Resolving CO2 Activation and Hydrogenation Pathways over Iron Carbides from DFT Investigation

Published: 11 January 2020| Version 1 | DOI: 10.17632/6hfg6rn52w.1
Contributors:
Yi-Fan Han, Pengfei Tian, Xianglin Liu, Jing Xu, Minghui Zhu, Yulong Zhang, Chenxi Cao, Yun Tian

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CO2 activation energy; CO2 adsorption and activation over Fe_FeC; CO2 and H2 adsorption energy; PDOS_Fe5C2 and Fe3C

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Activation Energy

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