Yuan Ma
Henan University
21 Papers
55 Citations
Yuan Ma is an academic researcher from Henan University. The author has contributed to research in topics: Ionic liquid & Catalysis. The author has an hindex of 11, co-authored 20 publications.
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Papers
Relationship between hydrogen bond and viscosity for a series of pyridinium ionic liquids: Molecular dynamics and quantum chemistry
TL;DR: In this paper, the relationship between molecular structure and viscosity for four pyridinium ionic liquids is explored by combination of molecular dynamics and quantum chemistry, and the central aim is to study the relationship of hydrogen bond and visco-sensitivity.
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Quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups as highly efficient catalysts for the fixation of CO2: a theoretical study by QM and MD
TL;DR: In this paper, the mechanism of coupling reactions of carbon dioxide (CO2) with propylene oxide (PO) catalyzed by a series of hydroxyl-functionalized quaternary ammonium-based ionic liquids (ILs) is investigated by the combination of density functional theory (DFT) and molecular dynamics methods.
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Insight into the role of weak interaction played in the fixation of CO2 catalyzed by the amino-functionalized imidazolium-based ionic liquids
TL;DR: In this paper, the cooperative effect of two same or different components is considered in the coupling reaction of CO 2 with propylene oxide (PO) catalyzed by the amino-functionalized imidazolium-based ionic liquid.
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Dialkylpyrazolium ionic liquids as novel catalyst for efficient fixation of CO2 with metal- and solvent-free
Yuan Ma,Ci Chen,Tengfei Wang,Jingshun Zhang,JiaJia Wu,Xiangdong Liu,Ren Tiegang,Li Wang,Jinglai Zhang +8 more
TL;DR: In this paper, a series of dialkylpyrazolium ionic liquids are employed to promote the cycloaddition of CO 2 and PO to produce PC, and the effect of alkyl chain length in cation and different anion is explored.
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Effects of π-conjugation on electrochemical properties within hole-transporting materials for perovskite solar cells from first principle and molecular dynamics
TL;DR: Inspired by two important HTMs (CBP and 2TPA-2-DP See Scheme 1) are theoretically designed and their structure-property relationship is studied by the first principle and molecular dynamics associated with the Marcus theory and Einstein-Smoluchowski relation as discussed by the authors.
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