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Electronic interaction between single Pt atom and vacancies on boron nitride nanosheets and its influence on the catalytic performance in the direct dehydrogenation of propane 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2019, 卷号: 40, 期号: 6, 页码: 819-825
Authors:  Sun, Xiaoying;  Liu, Meijun;  Huang, Yaoyao;  Li, Bo;  Zhao, Zhen
Favorite  |  View/Download:2/0  |  Submit date:2020/01/06
Propane  Direct dehydrogenation  Platinum  Boron nitride  Single atom catalysis  Density functional theory  Electronic metel-support interaction  
Fabrication of Polydopamine Modified Carbon Nanotube Hybrids and their Catalytic Activity in Ethylbenzene Dehydrogenation 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 8, 页码: 2073-2078
Authors:  Tian, Siyuan;  Yan, Pengqiang;  Li, Fan;  Zhang, Xuefei;  Su, Dangsheng;  Qi, Wei
Favorite  |  View/Download:4/0  |  Submit date:2020/01/06
Metal-free catalyst  Polydopamine modification  Dehydrogenation  Heterogeneous catalysis  C-H bond activation  
Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account 期刊论文
CHEMICAL COMMUNICATIONS, 2018, 卷号: 54, 期号: 8, 页码: 864-875
Authors:  Sun, XY;  Han, P;  Li, B;  Mao, SJ;  Liu, TF;  Ali, S;  Lian, Z;  Su, DS;  Su, DS (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
Favorite  |  View/Download:18/0  |  Submit date:2018/06/05
h Bond Activation  Initio Molecular-dynamics  Density-functional Theory  Vanadium-oxide Catalysts  Metal-free Catalysts  Nitric-acid  Mediated Catalysis  Oxygen-adsorption  Styrene Synthesis  1st Principles  
Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 3, 页码: 1570-1576
Authors:  Sun, XY;  Han, P;  Li, B;  Zhao, Z;  Zhao, Z (reprint author), Shenyang Normal Univ, Inst Catalysis Energy & Environm, Coll Chem & Chem Engn, Shenyang 110034, Liaoning, Peoples R China.;  Zhao, Z (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
Favorite  |  View/Download:20/0  |  Submit date:2018/06/05
h Bond Activation  Nanostructured Carbon Catalysts  Total-energy Calculations  Augmented-wave Method  Heterogeneous Catalysis  1st Principles  Basis-set  Platinum  Reactivity  Surfaces  
Molybdenum Carbide Modified Nanocarbon Catalysts for Alkane Dehydrogenation Reactions 期刊论文
AMER CHEMICAL SOC, 2017, 卷号: 7, 期号: 9, 页码: 5820-5827
Authors:  Liu, Wei;  Chen, Bingxu;  Duan, Xuezhi;  Wu, Kuang-Hsu;  Qi, Wei;  Guo, Xiaoling;  Zhang, Bingsen;  Su, Dangsheng;  Qi, W;  Su, DS (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.;  Su, DS (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
Favorite  |  View/Download:65/0  |  Submit date:2018/01/10
Nanocarbon  Molybdenum Carbide  C-h Bond Activation  Dehydrogenation  Hybrid Catalysts  
Revealing the Role of sp(2)@sp(3) Structure of Nanodiamond in Direct Dehydrogenation: Insight from DFT study 期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 6, 页码: 3779-3785
Authors:  Liu, TianFu;  Ali, Sajjad;  Li, Bo;  Su, Dang Sheng;  Li, B;  Su, DS (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
Favorite  |  View/Download:48/0  |  Submit date:2017/08/17
Nanodiamond  Dehydrogenation  Isobutane  Dft  Sp(2)@Sp(3) Core-shell  
The Unexpected Reactivity of the Carbon Sites on the Nanostructured Carbon Catalysts towards the C-H Bond Activation from the Analysis of the Aromaticity 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2016, 卷号: 11, 期号: 11, 页码: 1668-1671
Authors:  Sun, XiaoYing;  Li, Bo;  Su, DangSheng;  Li, B;  Su, DS (reprint author), Chinese Acad Sci, Inst Met Res, ShenYang Natl Lab Mat Sci, WenHua Rd 72, Shenyang 110016, Peoples R China.
Favorite  |  View/Download:84/0  |  Submit date:2016/08/22
Aromaticity  Carbon Catalyst  Dehydrogenation  Heterogeneous Catalysis  Nanocatalysis  
Rationale of the effects from dopants on C-H bond activation for sp(2) hybridized nanostructured carbon catalysts 期刊论文
NANOSCALE, 2015, 卷号: 7, 期号: 40, 页码: 16597-16600
Authors:  Mao, ShanJun;  Sun, XiaoYing;  Li, Bo;  Su, Dang Sheng;  boli@imr.ac.cn;  dssu@imr.ac.cn
Favorite  |  View/Download:42/0  |  Submit date:2016/04/21
Revealing the nature of the active site on the carbon catalyst for C-H bond activation 期刊论文
Chemical Communications, 2014, 卷号: 50, 期号: 75, 页码: 11016-11019
Authors:  X. Y. Sun;  B. Li;  D. S. Su
Favorite  |  View/Download:108/0  |  Submit date:2015/01/14
Oxidative Dehydrogenation  N-butane  Ethylbenzene  Nanotubes  
First-Principles Studies of the Activation of Oxygen Molecule and Its Role in Partial Oxidation of Methane on Boron-Doped Single-Walled Carbon Nanotubes 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 34, 页码: 17485-17492
Authors:  B. Li;  D. S. Su
Favorite  |  View/Download:82/0  |  Submit date:2013/12/24
Total-energy Calculations  Augmented-wave Method  Catalytic Performance  Metal-catalysts  Basis-set  Dehydrogenation  Ethylbenzene  Chemistry  Nitrogen  Defects