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Mesoscale distribution of adsorbates in ZSM-5 zeolite 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 198, 页码: 253-259
Authors:  Huang, Wen Lai;  Li, Jinghai;  Liu, Zhicheng;  Zhou, Jian;  Ma, Chao;  Wen, Li-Xiong
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Mesoscale structure  Heterogeneous catalysis  Compromise in competition  Steady state  Zeolite  Channel utilization  
Mesoscale Structures in the Adlayer of A-B-2 Heterogeneous Catalysis 期刊论文
LANGMUIR, 2017, 卷号: 33, 期号: 42, 页码: 11582-11589
Authors:  Sun, Fei;  Huang, Wen Lai;  Li, Jinghai
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Compromise between minimization and maximization of entropy production in reversible Gray-Scott model 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2016, 卷号: 155, 期号: NOV, 页码: 233-238
Authors:  Huang, Wen Lai;  Li, Jinghai
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Entropy Production  Gray-scott Model  Compromise  Extremal Tendency  Steady State  Heterogeneous Structures  
Structural characteristics of adlayer in heterogeneous catalysis 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2016, 卷号: 153, 期号: OCT, 页码: 87-92
Authors:  Sun, Fei;  Huang, Wen Lai;  Li, Jinghai
Adobe PDF(1181Kb)  |  Favorite  |  View/Download:54/0  |  Submit date:2016/10/20
Heterogeneous Structure  Shannon Entropy  Dominant Mechanism  Competition  Compromise  Mesoscale  
Mesoscale model for heterogeneous catalysis based on the principle of compromise in competition 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2016, 卷号: 147, 期号: JUNE, 页码: 83-90
Authors:  Huang, Wen Lai;  Li, Jinghai
Adobe PDF(5134Kb)  |  Favorite  |  View/Download:63/0  |  Submit date:2016/07/15
Mesoscale Model  Heterogeneous Catalysis  Compromise In Competition  Steady State  Stability Condition  
探索知识体系的逻辑与架构:多层次、多尺度及介尺度复杂性 期刊论文
Engineering, 2016, 期号: 3, 页码: "34-54"
Authors:  李静海;  黄文来
Adobe PDF(424Kb)  |  Favorite  |  View/Download:43/0  |  Submit date:2017/05/31
Disciplines  Mesoscale  突破惯性思维  科研模式  科技时代  Compromise  Multilevel  Landscape  Dominated  Sustainable  
Atomic and electronic structures of Si[001] (130) symmetric tilt grain boundaries based on first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 58, 期号: 0, 页码: 38-44
Authors:  Huang, Wen Lai;  Ge, Wei;  Li, Chengxiang;  Hou, Chaofeng;  Wang, Xiaowei;  He, Xianfeng;  Huang, WL
Adobe PDF(2110Kb)  |  Favorite  |  View/Download:135/1  |  Submit date:2013/10/22
Density Functional Theory  Electronic Structure  Polycrystalline Silicon  Grain Boundary  Potential Barrier  
First-principles determination of the absolute band-edge positions of BiOX (X = F, Cl, Br, I) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 55, 期号: 0, 页码: 166-170
Authors:  Huang, Wen Lai;  Huang, WL
Adobe PDF(761Kb)  |  Favorite  |  View/Download:137/1  |  Submit date:2013/10/26
Density Functional Theory  Bismuth Oxyhalide  Photocatalyst  Electronic Structure  Band-edge Energy  
Oxygen-vacancy formation in LaMO(3) (M = Ti, V, Cr, Mn, Fe, Co, Ni) calculated at both GGA and GGA plus U levels 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2011, 卷号: 50, 期号: 5, 页码: 1800-1805
Authors:  Huang, Wen Lai;  Zhu, Qingshan;  Ge, Wei;  Li, Hongzhong;  Huang, WL
Adobe PDF(845Kb)  |  Favorite  |  View/Download:270/4  |  Submit date:2013/11/06
Density Functional Theory  Dft Plus u  Perovskite  Oxygen-vacancy  Electronic Structure  
First-Principles Calculations on the Energetics, Electronic Structures and Magnetism of SrFeO2 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 卷号: 30, 期号: 16, 页码: 2684-2693
Authors:  Huang, Wen Lai;  Huang, WL
Adobe PDF(810Kb)  |  Favorite  |  View/Download:91/0  |  Submit date:2013/11/28
Density Functional Theory  Srfeo2  Electronic Structure  Magnetism  Oxygen Vacancy