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Synthesis of highly substitutional nitrogen doped TiO2 via oxygen vacancy mediated strategy for ultrafast-charging lithium ion storage 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 431, 页码: 9
Authors:  Li, Youpeng;  Zhang, Lingzhi
Favorite  |  View/Download：100/0  |  Submit date：2023/11/21
Substitutional nitrogen  Kinetics  DFT calculations  Oxygen vacancy  Electric field  
Hexafluoroisopropanol (HFIP)-prompted rearrangement of N-phenoxysulfonamides for the direct assembly of ortho-sulfonamide phenols: A combined experimental and computational study 期刊论文
TETRAHEDRON LETTERS, 2022, 卷号: 89, 页码: 5
Authors:  Wang, Yi;  Chen, Xiaoli;  Lin, Shuang;  Gao, Hui;  Liu, Fu-Xiaomin;  Zhou, Zhi;  Yi, Wei
Favorite  |  View/Download：129/0  |  Submit date：2023/11/21
N-phenoxysulfonamides  Ortho-sulfonamide phenols  Rearrangement  Hexafluoroisopropanol  DFT calculations  
Highly Selective Hydrodeoxygenation of Lignin to Naphthenes over Three-Dimensional Flower-like Ni2P Derived from Hydrotalcite 期刊论文
ACS CATALYSIS, 2022, 页码: 19
Authors:  Jia, Zhichao;  Ji, Na;  Diao, Xinyong;  Li, Xinxin;  Zhao, Yujun;  Lu, Xuebin;  Liu, Qingling;  Liu, Caixia;  Chen, Guanyi;  Ma, Longlong;  Wang, Shurong;  Song, Chunfeng;  Li, Changzhi
Favorite  |  View/Download：99/0  |  Submit date：2023/11/20
lignin  Ni2P catalyst  NiAl-hydrotalcite  hydrodeoxygenation  naphthenes  DFT calculations  
Selective Production of 2-Butanol from Hydrogenolysis of Levulinic Acid Catalyzed by the Non-precious NiMn Bimetallic Catalyst 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2021, 卷号: 9, 期号: 46, 页码: 15603-15611
Authors:  Chen, Lungang;  Liu, Yong;  Gu, Canshuo;  Feng, Gang;  Zhang, Xinghua;  Liu, Jianguo;  Zhang, Qi;  Wang, Chenguang;  Ma, Longlong
Favorite  |  View/Download：128/0  |  Submit date：2023/11/20
biomass  levulinic acid  2-butanol  hydrogenolysis  DFT  
In Situ Synthesis of Cu Nanoparticles on Carbon for Highly Selective Hydrogenation of Furfural to Furfuryl Alcohol by Using Pomelo Peel as the Carbon Source 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 34, 页码: 12944-12955
Authors:  Wang, Chenguang;  Liu, Yong;  Cui, Zhibing;  Yu, Xiaohu;  Zhang, Xinghua;  Li, Yuping;  Zhang, Qi;  Chen, Lungang;  Ma, Longlong
Favorite  |  View/Download：312/0  |  Submit date：2021/10/22
furfural hydrogenation  Cu nanoparticles  furfuryl alcohol  pomelo peel  DFT  
Co-pyrolysis characteristics of polysaccharides-cellulose and the co-pyrolyzed compound distributions over two kinds of zeolite catalysts 期刊论文
INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 2020, 页码: 13
Authors:  Cao, Bin;  Sun, Yangkai;  Yuan, Jianping;  Wang, Shuang;  Gong, Xun;  Barati, Bahram;  Zheng, Anqing;  Jiang, Ding;  Hu, Yamin;  Yuan, Chuan;  He, Zhixia
Favorite  |  View/Download：317/0  |  Submit date：2020/10/29
cellulose  co-pyrolysis  DFT  polysaccharides  zeolite  
Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 19, 页码: 7919-7926
Authors:  Huang, Ying;  Yan, Chang-Feng;  Guo, Chang-Qing;  Shi, Yan
Favorite  |  View/Download：309/0  |  Submit date：2016/12/05
First Principle  Dft  Castep  Cerium Dioxide  Density Of States  Photocatalysis  
Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2012, 卷号: 704, 页码: 17-28
Authors:  Wang, Hanlu;  DeYonker, Nathan J.;  Gao, Hui;  Ji, Liangnian;  Zhao, Cunyuan;  Mao, Zong-Wan
View  |  Adobe PDF(1802Kb)  |  Favorite  |  View/Download：280/55  |  Submit date：2016/10/27
Dft  Ruthenium  Osmium  Aquation  Nucleobase  Pk(a)  
Study on Vapor-Liquid Nucleation Rates for n-Alcohols by Density Functional Theory 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2010, 卷号: 28, 期号: 10, 页码: 2067-2073
Authors:  Wu Huijie;  Li Xiaosen
View  |  Adobe PDF(193Kb)  |  Favorite  |  View/Download：550/190  |  Submit date：2014/12/24
Saft  Wca  Dft  Vapor-liquid Equilibria  Nucleation Rates