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Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
Authors:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan;  Liang, Ying-Hua
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Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First-Principles Theory 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 7, 页码: 1928-1934
Authors:  Zhang, Bing-Yan;  Su, Hai-Yan;  Liu, Jin-Xun;  Li, Wei-Xue
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Heterogeneous Catalysis  Density Functional Calculations  Iron  Kinetics  Ammonia synthesis  
Oxygen vacancy modulated Ti2Nb10O29-x embedded onto porous bacterial cellulose carbon for highly efficient lithium ion storage 期刊论文
NANO ENERGY, 2019, 卷号: 58, 页码: 355-364
Authors:  Deng, Shengjue;  Zhang, Yan;  Xie, Dong;  Yang, Liang;  Wang, Guizhen;  Zheng, XuSheng;  Zhu, Junfa;  Wang, Xiuli;  Yu, Yan;  Pan, Guoxiang;  Xia, Xinhui;  Tu, Jiangping
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Bacterial cellulose carbon  Porous carbon fibres  Ti2Nb10O29  Oxygen vacancy  Lithium ions batteries  
Controllable and scalable synthesis of hollow-structured porous aromatic polymer for selective adsorption and separation of HMF from reaction mixture of fructose dehydration 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 358, 页码: 467-479
Authors:  Zhang, Yuan-Bao;  Luo, Qun-Xing;  Lu, Mei-Heng;  Luo, Dan;  Liu, Zhong-Wen;  Liu, Zhao-Tie
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5-Hydroxymethylfurfural  Fructose dehydration  Hollow porous aromatic polymer  Adsorptive separation  pi-pi interaction  
Structural isomer and high-yield of Pt1Ag28 nanocluster via one-pot chemical wet method 期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 2, 页码: 309-314
Authors:  Lin, Xinzhang;  Liu, Chao;  Sun, Keju;  Wu, Ren'an;  Fu, Xuemei;  Huang, Jiahui
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Pt1Ag28 nanocluster  one-pot synthesis  structural isomerization  high yield  strong fluorescence  
Preliminary investigation of the degradation mechanism of o, m and p-cresol using sludge-derived carbon nanosheets by catalytic oxidation based on quantum chemistry 期刊论文
CATALYSIS COMMUNICATIONS, 2019, 卷号: 120, 页码: 59-65
Authors:  Ma, Lei;  Jin, Chengyu;  An, Luyang;  Huang, Long;  Li, Linjun;  Jin, Haibo;  Liang, Bo;  Wei, Huangzhao;  Sun, Chenglin
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Advanced oxidation  Sludge-derived carbon nanosheets  Quantum chemical calculation  Cresols  
Molecular Design for Electron-Driven Double-Proton Transfer: A New Scenario for Excited-State Proton-Coupled Electron Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 47, 页码: 9191-9198
Authors:  Ren, Guanghua;  Meng, Qingchi;  Zhao, Jinfeng;  Chu, Tianshu
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Shape-Controlled Synthesis of Metal-Organic Frameworks with Adjustable Fenton-Like Catalytic Activity 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 44, 页码: 38051-38056
Authors:  Liu, Jiayi;  Li, Xuning;  Liu, Biao;  Zhao, Chunxiao;  Kuang, Zhichong;  Hu, Ruisheng;  Liu, Bin;  Ao, Zhimin;  Wang, Junhu
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secondary building units  shape-controlled  Prussian blue analogue  DFT calculation  Fenton reaction  
The sensing mechanism studies of the fluorescent probes with electronically excited state calculations 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2018, 卷号: 8, 期号: 2
Authors:  Li, Guang-Yue;  Han, Ke-Li
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Polysulfide Stabilization: A Pivotal Strategy to Achieve High Energy Density Li-S Batteries with Long Cycle Life 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2018, 卷号: 28, 期号: 8
Authors:  Chen, Yuqing;  Zhang, Hongzhang;  Xu, Wenbin;  Yang, Xiaofei;  Yu, Ying;  Li, Xianfeng;  Zhang, Huamin
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Complexing Agent  High Energy Density  Hsab Theory  Li-s Battery  Polysulfide Stabilization