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Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species 期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
Authors:  Zang, Kailu;  Zhang, Wenna;  Huang, Jindou;  Feng, Pei
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Zeolites  Reaction intermediates  Density functional theory  Methanol-to-olefins  SAPO-34  Surface methoxy species  Chabazite architecture  Steric hindrance  
Study of Catalyst Coke Distribution Based on Population Balance Theory: Application to Methanol to Olefins Process 期刊论文
AICHE JOURNAL, 2019, 卷号: 65, 期号: 4, 页码: 1149-1161
Authors:  Li, Hua;  Yuan, Xiaoshuai;  Gao, Mingbin;  Ye, Mao;  Liu, Zhongmin
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coke distribution  population balance theory  methanol to olefins  fluidized bed  reactor-regenerator system  
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
Authors:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo;  Ma, Huipeng
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indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship  
Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer 期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 204, 页码: 642-648
Authors:  Li, Yang;  Zhao, Jin-Feng;  Chu, Tian-Shu
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Fluorescent probe  Density functional theory  Excited state intramolecular proton transfer  Photoinduced electron transfer  Intramolecular charge transfer  
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
Authors:  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Yang, Yanqiang;  Chu, Tianshu
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Binding model  Time-dependent density functional theory  Weak interactions  TNP sensing  Photoinduced electron transfer  Binding energy  
Mechanism and transfer behavior of ions in Nafion membranes under alkaline media 期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 566, 页码: 8-14
Authors:  Hu, Jing;  Zhang, Huamin;  Xu, Wenbin;  Yuan, Zhizhang;  Li, Xianfeng
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Nafion membrane  Ion transfer mechanism  Density functional theory-based simulation  Zinc iron flow battery  
A systematic theoretical study on FeOx-supported single-atom catalysts: M-1/FeOx for CO oxidation 期刊论文
NANO RESEARCH, 2018, 卷号: 11, 期号: 3, 页码: 1599-1611
Authors:  Liang, Jinxia;  Yu, Qi;  Yang, Xiaofeng;  Zhang, Tao;  Li, Jun
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Single-atom Catalyst  M-1/feox  Density Functional Theory  Heterogeneous Catalysis  
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  
An Amino-Functionalized Metal-Organic Framework, Based on a Rare Ba-12(COO)(18)(NO3)(2) Cluster, for Efficient C-3/C-2/C-1 Separation and Preferential Catalytic Performance 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2018, 卷号: 24, 期号: 9, 页码: 2137-2143
Authors:  Fan, Weidong;  Wang, Yutong;  Zhang, Qian;  Kirchon, Angelo;  Xiao, Zhenyu;  Zhang, Liangliang;  Dai, Fangna;  Wang, Rongming;  Sun, Daofeng
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Gas Storage  Ideal Solution Adsorbed Theory (Iast)  Light Hydrocarbons  Metal-organic Frameworks  Selectivity Separation  
Pd-Containing Nanostructures for Electrochemical CO2 Reduction Reaction 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 2, 页码: 1510-1519
Authors:  Gao, Dunfeng;  Zhou, Hu;  Cai, Fan;  Wang, Jianguo;  Wang, Guoxiong;  Bao, Xinhe
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Electrochemical Co2 Reduction Reaction  Pd-containing Nanostructures  Active Site  Active Phase Transformation  Bimetallic Catalysts  Electrochemical Promotion Of Catalysis  Coupled Thermo- And Electrocatalysis  Density Functional Theory Calculations