Nini Yuan

Doping the Buckminsterfullerene by Substitution: Density Functional Theory Studies of C₅₉X (X = B, N, Al, Si, P, Ga, Ge, and As)

Hongcun Bai, Wenxin Ji, Xiangyu Liu et al. · Journal of Chemistry · 2012 · 53 citations · Full text

Materials Science, Engineering, Electronic Materials +15

Modulation of Fe-based oxygen carriers by low concentration doping of Cu in chemical looping process: Reactivity and mechanism based on experiments combined with DFT calculations

Nini Yuan, Hongcun Bai, Mei An et al. · Powder Technology · 2021 · 27 citations

Materials Science, Inorganic Chemistry, Chemical Engineering +11

First‐principle simulations on silicon-doped armchair single‐walled carbon nanotubes of various diameters

Nini Yuan, Hongcun Bai, Yujia Ma et al. · Physica E Low-dimensional Systems and Nanostructures · 2014 · 25 citations

Materials Science, One-dimensional Material, Engineering +12

Analysis of the role of Cu for improving the reactivity of Cu-modified Fe2O3 oxygen carriers in the chemical looping gasification process with coal

Mei An, Nini Yuan, Qingjie Guo · Fuel · 2021 · 23 citations

Materials Science, Chemical Looping, Chemical Engineering +6

Insights into reactive behaviors and mechanisms of nickel-based oxygen carriers doped by Fe/Co during chemical looping combustion from multiple-scale molecular modeling combined with experiments

Jinpeng Zhang, Hui Zhang, Nini Yuan et al. · Fuel Processing Technology · 2022 · 20 citations

Materials Science, Multiple-scale Molecular Modeling, Chemical Engineering +11