CAS OpenIR

Browse/Search Results:  1-10 of 14 Help

Selected(0)Clear Items/Page:    Sort:
Unveiling the Atomic Structures of the Minority Surfaces of TiO2 Nanocrystals 期刊论文
CHEMISTRY OF MATERIALS, 2018, 卷号: 30, 期号: 1, 页码: 288-295
Authors:  Yuan, WT;  Meng, J;  Zhu, BE;  Gao, Y;  Zhang, Z;  Sun, CH;  Wang, Y
View  |  Adobe PDF(5389Kb)  |  Favorite  |  View/Download:262/27  |  Submit date:2018/09/06
Transmission Electron-microscope  Oxygen Vacancy Concentration  Titanium-dioxide  Layer Deposition  Oxide Surfaces  Anatase 101  Science  Water  Facets  Photocatalysis  
Unraveling the oxygen vacancy structures at the reduced CeO2(111) surface 期刊论文
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 3, 页码: -
Authors:  Han, ZK;  Yang, YZ;  Zhu, BE;  Ganduglia-Pirovano, MV;  Gao, Y
View  |  Adobe PDF(5553Kb)  |  Favorite  |  View/Download:241/27  |  Submit date:2018/09/06
Scanning-tunneling-microscopy  Gas Shift Reaction  Co Oxidation  Electronic-structure  Defect Structure  Ceria  Catalysts  Water  Nanoparticles  Gold  
Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 22, 页码: 11807-11813
Authors:  Qin, JY;  Zhu, BE;  Liang, SS;  Guo, P;  Liu, J
View  |  Adobe PDF(2246Kb)  |  Favorite  |  View/Download:104/18  |  Submit date:2018/09/06
Cation-pi Interactions  Graphene Oxide Membranes  Molecular-dynamics  Ion Selectivity  Metal Ions  Transport  Desalination  Surface  Pores  Size  
Shape Evolution of Metal Nanoparticles in Binary Gas Environment 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 11, 页码: 6144-6150
Authors:  Meng, J;  Zhu, BE;  Gao, Y
View  |  Adobe PDF(5175Kb)  |  Favorite  |  View/Download:93/6  |  Submit date:2018/09/06
In-situ Observation  Plus No Reaction  Atmospheric-pressure  Copper Nanocrystals  co+no Reaction  Co Adsorption  Surface  Catalysts  Pd  Platinum  
Ti12Xe: A twelve-coordinated Xe-containing molecule 期刊论文
PHYSICS LETTERS A, 2017, 卷号: 381, 期号: 29, 页码: 2363-2366
Authors:  Miao, JJ;  Xu, WW;  Zhu, BE;  Gao, Y
View  |  Adobe PDF(579Kb)  |  Favorite  |  View/Download:106/18  |  Submit date:2018/08/30
Highest Coordination-number  Generalized Gradient Approximation  Transition-elements  Xenon  Pseudopotentials  Chemistry  Noble  Gas  Exchange  Thermochemistry  
Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 10, 页码: 5629-5634
Authors:  Zhu, BE;  Meng, J;  Gao, Y
View  |  Adobe PDF(2425Kb)  |  Favorite  |  View/Download:95/28  |  Submit date:2017/12/08
Magic compositions in Pd-Au nanoalloys 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 卷号: 1107, 页码: 49-56
Authors:  Zhu, BE;  Front, A;  Guesmi, H;  Creuze, J;  Legrand, B;  Mottet, C
View  |  Adobe PDF(1988Kb)  |  Favorite  |  View/Download:114/22  |  Submit date:2017/12/08
Monte Carlo Simulations  Metallic Alloy Nanoparticles  Surface Segregation  Chemical Ordering  
NiMo合金在水环境中表面偏析现象的理论模拟研究 期刊论文
中国科学:物理学 力学 天文学, 2016, 卷号: v.46, 期号: 5, 页码: 97-102
Authors:  朱倍恩;  刘小吉;  高嶷
View  |  Adobe PDF(985Kb)  |  Favorite  |  View/Download:128/25  |  Submit date:2016/12/21
表面偏析  纳米合金  水-固界面  表面重构  
Adsorption and diffusion of fluorine on Cr-doped Ni(111) surface: Fluorine-induced initial corrosion of non-passivated Ni-based alloy 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2016, 卷号: 478, 页码: 295-302
Authors:  Ren, CL;  Han, H;  Gong, WB;  Wang, CB;  Zhang, W;  Cheng, C;  Huai, P;  Zhu, ZY;  Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(2015Kb)  |  Favorite  |  View/Download:83/3  |  Submit date:2017/03/02
Ni-based Alloy  Initial Corrosion Mechanism  Fluorine Adsorption And Diffusion  Density Functional Theory Calculation  
A grand unified model for liganded gold clusters 期刊论文
Nature Communications, 2016, 卷号: 7, 页码: -
Authors:  Xu, WW;  Zhu, BE;  Zeng, XC;  Gao, Y;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China.;  Zeng, XC (reprint author), Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA.;  Zeng, XC (reprint author), Univ Sci & Technol China, Collaborat Innovat Ctr Chem Energy Mat, Hefei 230026, Anhui, Peoples R China.;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Sci Res Ctr, Shanghai 201204, Peoples R China.
View  |  Adobe PDF(1766Kb)  |  Favorite  |  View/Download:120/19  |  Submit date:2017/03/02