most citedAnti-electrostatic hydrogen bonding between anions of ionic liquids: A density functional theory study

19 citations · 24 across the 5 of their papers we have counts for

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5 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…

cond-mat.mtrl-sci2021

Efficient electrochemical reduction of CO2 to CO by soft functional materials

Yanjie Hu, Jiaqi Feng, Xiangping Zhang +4

Electrochemical reduction of CO2 to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ILs electrolyte remains a challenge. In…

physics.chem-ph2021★ 4 cited

Mechanisms behind high CO2/CH4 selectivity using ZIF-8 metal organic frameworks with encapsulated ionic liquids: a computational study

Tianhao Yu, Qiong Cai, Guoping Lian +4

CO2/CH4 separation using ionic liquids (ILs) encapsulated metal-organic frameworks (MOFs), especially ZIF-8, has shown promise as a new technique for separating CO2 from CH4. Howev…

physics.chem-ph2020★ 19 cited

Anti-electrostatic hydrogen bonding between anions of ionic liquids: A density functional theory study

Junwu Chen, Kun Dong, Lei Liu +2

Hydrogen bonds (HBs) play a crucial role in the physicochemical properties of ionic liquids (ILs). At present, HBs between cations and anions (Ca-An) or between cations (Ca-Ca) in…

physics.chem-ph2020★ 1 cited

Theoretical evidence for new adsorption sites of CO on the Ag electrode surface

Shuai Guo, Yao Li, Lei Liu +2

Nowadays, electrochemical reduction of CO has been considered as an effective method to solve the problem of global warming. The primary challenge in studying the mechanism is…