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Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文
FUEL, 2019, 卷号: 253, 页码: 910-920
Authors:  Zheng, Mo;  Li, Xiaoxia;  Wang, Meijun;  Guo, Li
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Low-rank coal pyrolysis  Tar products  ReaxFF MD simulation  Dynamic profile  Detailed structure  
Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics 期刊论文
FUEL, 2018, 卷号: 233, 页码: 867-876
Authors:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
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Reaxff Molecular Dynamics  Coal Pyrolysis  Coal Oxidation  Nox Emission  Nitrogen Transformation  Reaction Mechanisms  
Initial reactivity differences between a 3-component surrogate model and a 24-component model for RP-1 fuel pyrolysis evaluated by ReaxFF MD 期刊论文
FUEL, 2018, 卷号: 222, 页码: 753-765
Authors:  Han, Song;  Li, Xiaoxia;  Zheng, Mo;  Guo, Li
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Reaxff Md  Rp-1 Surrogate  Multi-component Model  Pyrolysis Reaction Pathways  Reactivity Evaluation  
Hierarchical oxygen-implanted MoS2 nanoparticle decorated graphene for the non-enzymatic electrochemical sensing of hydrogen peroxide in alkaline media 期刊论文
TALANTA, 2018, 卷号: 176, 页码: 397-405
Authors:  Xue, Yudong;  Maduraiveeran, Govindhan;  Wang, Mingyong;  Zheng, Shili;  Zhang, Yi;  Jin, Wei
Adobe PDF(2139Kb)  |  Favorite  |  View/Download:64/0  |  Submit date:2017/11/27
Mos2  Graphene  Hydrogen Peroxide  Electrochemical Sensing  Alkaline Media  
Hierarchically-structured hollow NiO nanospheres/nitrogen-doped graphene hybrid with superior capacity retention and enhanced rate capability for lithium-ion batteries 期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 425, 期号: DEC, 页码: 461-469
Authors:  Chen, Jiayuan;  Wu, Xiaofeng;  Liu, Ya;  Gong, Yan;  Wang, Pengfei;  Li, Wenhui;  Mo, Shengpeng;  Tan, Qiangqiang;  Chen, Yunfa
Adobe PDF(3664Kb)  |  Favorite  |  View/Download:103/0  |  Submit date:2017/11/27
Hierarchical Hollow Structure  Nickel Oxide  Nitrogen-doped Graphene  Lithium-ion Batteries  
W-doped MoS2 nanosheets as a highly-efficient catalyst for hydrogen peroxide electroreduction in alkaline media 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2017, 卷号: 7, 期号: 23, 页码: 5733-5740
Authors:  Xue, Yudong;  Cai, Weiquan;  Zheng, Shili;  Yan, Wenyi;  Hu, Jiugang;  Sun, Zhi;  Zhang, Yi;  Jin, Wei;  Zheng, SL
Adobe PDF(3857Kb)  |  Favorite  |  View/Download:86/0  |  Submit date:2018/01/19
大规模反应分子动力学模拟新进展 会议论文
中国化学会第14届全国计算(机)化学学术会议暨分子模拟国际论坛会议手册, 中国江苏南京, 2017-11-17
Authors:  李晓霞;  郑默;  张婷婷;  韩嵩;  高明杰;  任春醒;  郭力
Adobe PDF(673Kb)  |  Favorite  |  View/Download:24/0  |  Submit date:2019/06/17
Reaxff Md  热解与氧化  反应机理  大规模分子模拟  
利用大规模ReaxFF MD初步探索孔道对煤热解过程的影响 会议论文
中国化学会第14届全国计算(机)化学学术会议暨分子模拟国际论坛会议手册, 中国江苏南京, 2017-11-17
Authors:  郑默;  李晓霞;  郭力
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Reaxff Md  大规模模拟  煤热解  孔道的影响  
Reinforced As(III) oxidation by the in-situ electro-generated hydrogen peroxide on MoS2 ultrathin nanosheets modified carbon felt in alkaline media 期刊论文
ELECTROCHIMICA ACTA, 2017, 卷号: 252, 期号: OCT, 页码: 245-253
Authors:  Xue, Yudong;  Zheng, Shili;  Zhang, Yi;  Jin, Wei
Adobe PDF(3077Kb)  |  Favorite  |  View/Download:118/0  |  Submit date:2017/11/27
Mos2 Nanosheets  Heavy Metal Remediation  Oxygen Reduction  Arsenic Oxidation  Alkaline Media  
A Perspective on Thermochemical and Electrochemical Processes for Titanium Metal Production 期刊论文
JOM, 2017, 卷号: 69, 期号: 10, 页码: 1861-1868
Authors:  Zhang, Ying;  Fang, Zhigang Zak;  Sun, Pei;  Zheng, Shili;  Xia, Yang;  Free, Michael
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