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Insight into the Relationship between Viscosity and Hydrogen Bond of a Series of Imidazolium Ionic Liquids: A Molecular Dynamics and Density Functional Theory Study 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 期号: 40, 页码: 18848-18854
Authors:  Jiang, Kun;  Liu, Lei;  Liu, Xiaomin;  Zhang, Xiaochun;  Zhang, Suojiang
Favorite  |  View/Download:2/0  |  Submit date:2019/12/02
Occurrence of both hydroxyl radical and surface oxidation pathways in N-doped layered nanocarbons for aqueous catalytic ozonation 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 283-291
Authors:  Wang, Yuxian;  Chen, Lulu;  Chen, Chunmao;  Xi, Jiaxin;  Cao, Hongbin;  Duan, Xiaoguang;  Xie, Yongbing;  Song, Weiyu;  Wang, Shaobin
Favorite  |  View/Download:11/0  |  Submit date:2019/09/03
Metal-free catalysis  Catalytic ozonation  Nitrogen doping  Surface oxidation  Density functional theory (DFT)  
Lithium-desorption mechanism in LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4 according to precisely controlled acid treatment and density functional theory calculations 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 36, 页码: 20878-20890
Authors:  Gao, Aolei;  Hou, Xinjuan;  Sun, Zhenhua;  Li, Shaopeng;  Li, Huiquan;  Zhang, Jianbo
Favorite  |  View/Download:2/0  |  Submit date:2019/12/02
Mechanism of Glucose-Fructose Isomerization over Aluminum Based Catalysts in Methanol Media 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 期号: 17, 页码: 14962-14972
Authors:  Ju, Zhaoyang;  Zhang, Yuxuan;  Zhao, Tingting;  Xiao, Weihua;  Yao, Xiaoqian
Favorite  |  View/Download:3/0  |  Submit date:2019/11/12
Glucose  Fructose  Aluminum-based catalysts  DFT  Isomerization  
Mechanism of synthesis of anatase TiO2 pigment from low concentration of titanyl sulfuric-chloric acid solution under hydrothermal hydrolysis 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 11
Authors:  Tian, Ming;  Liu, Yahui;  Wang, Weijing;  Zhao, Wei;  Chen, Desheng;  Wang, Lina;  Zhao, Hongxin;  Meng, Fancheng;  Zhen, Yulan;  Hu, Zongyuan;  Qi, Tao
Favorite  |  View/Download:4/0  |  Submit date:2019/10/18
anatase TiO2 pigments  DFT calculations  hydrolysis mechanisms  hydrothermal hydrolysis  titanyl sulfuric-chloric acid solution  
Alcoholysis of polyethylene terephthalate to produce dioctyl terephthalate using choline chloride-based deep eutectic solvents as efficient catalysts 期刊论文
GREEN CHEMISTRY, 2019, 卷号: 21, 期号: 4, 页码: 897-906
Authors:  Zhou, Lei;  Lu, Xingmei;  Ju, Zhaoyang;  Liu, Bo;  Yao, Haoyu;  Xu, Junli;  Zhou, Qing;  Hu, Yufeng;  Zhang, Suojiang
Favorite  |  View/Download:40/0  |  Submit date:2019/06/14
Theoretical prediction of Li-6/Li-7 separation in solvent extraction system using Urey model 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 358, 页码: 435-445
Authors:  Cui, Li;  Yang, Xia;  Wang, Junfeng;  He, Hongyan;  Guo, Yanxia;  Cheng, Fangqin;  Zhang, Suojiang
Favorite  |  View/Download:74/0  |  Submit date:2018/12/28
Theoretical prediction  Li-6/Li-7  Urey model  DFT  Crown ether  
Theoretical Elucidation of beta-O-4 Bond Cleavage of Lignin Model Compound Promoted by Sulfonic Acid-Functionalized Ionic Liquid 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 11
Authors:  Zhang, Yaqin;  Huo, Feng;  Wang, Yanlei;  Xia, Yu;  Tan, Xin;  Zhang, Suojiang;  He, Hongyan
Favorite  |  View/Download:45/0  |  Submit date:2019/04/03
lignin  ionic liquid  DFT  molecular dynamics  beta-O-4 bond  reaction mechanism  
Theoretical Study of Ionic Liquid Clusters Catalytic Effect on the Fixation of CO2 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 期号: 1, 页码: 34-43
Authors:  Tan, Xin;  Liu, Xiaomin;  Yao, Xiaoqian;  Zhang, Yaqin;  Jiang, Kun
Favorite  |  View/Download:48/0  |  Submit date:2019/04/03
Enhanced Li-Ion-Storage Performance of MoS2 through Multistage Structural Design 期刊论文
CHEMELECTROCHEM, 2019, 卷号: 6, 期号: 5, 页码: 1475, 1484
Authors:  Wang, M;  Xu, YHH;  Lu, F;  Zhu, Z;  Dong, JYY;  Fang, DLL;  Zhou, J;  Yang, YJJ;  Zhong, YTT;  Chen, SMM;  Bando, Y;  Golberg, D;  Wang, X;  Wang, Mei;  Xu, Yunhua H.;  Lu, Fei;  Zhu, Zhian;  Dong, Jinyang Y.;  Fang, Daliang L.;  Zhou, Jian;  Yang, Yijun J.;  Zhong, Yeteng T.;  Chen, Shimou M.;  Bando, Yoshio;  Golberg, Dmitri;  Wang, Xi
Favorite  |  View/Download:39/0  |  Submit date:2019/06/14
curving effects  LITHIUM STORAGE  lithium-ion storage  MOLYBDENUM-DISULFIDE  MoS2  CARBON NANOFIBERS  multistage structural design  HIGH-CAPACITY  transmission electron microscopy  ANODE  NANOPARTICLES  COMPOSITES  GRAPHENE  LAYERS  NANOSHEETS