2 papers
physics.chem-ph2021
The effects of halide anions on the electroreduction of CO2 to C2H4: a density functional theory study
Xifei Ma, Lu Xing, Xiaoqian Yao +3
The halide anions present in the electrolyte gradually improves the Faradaic efficiencies (FEs) of the multi-hydrocarbon (C2+) products for the electrochemical reduction of CO2 ove…
physics.chem-ph2021
The effects of ionic liquids on the thermodynamics of H2 activation by frustrated Lewis pairs: a density functional theory study
Xiaoqing Liu, Xue Li, Xiaoqian Yao +2
Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous…