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Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：4/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Water adsorption on ferroelectric PbTiO3 (001) surface: A density functional theory study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 卷号: 678, 页码: 984-991
作者:  Ali, Ijaz;  Liu, Jian-An;  Yin, Li-Chang;  Wang, Lianzhou;  Liu, Gang
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Water adsorption  Ferroelectric photocatalyst  Oxygen vacancy  DFT calculations  AIMD  PbTiO3  
Engineering Co2+/Co3+ redox activity of Ni-mediated porous Co3O4 nanosheets for superior Hg(II) electrochemical sensing: Insight into the effect of valence change cycle and oxygen vacancy on electroanalysis 期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2022, 卷号: 354, 页码: 11
作者:  Li, Shan-Shan;  Xu, Qian-Qian;  Xu, Jian-Tao;  Yan, Ge;  Zhang, Yong-Xing;  Li, Su-Wen;  Yin, Li-Chang
收藏  |  浏览/下载：108/0  |  提交时间：2022/07/01
Valence change induced redox activity  Ni doping  Oxygen vacancy adsorption  Mercury ions detection  
Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24, 页码: 8
作者:  Yin, Xiaoran;  Wang, Haitao;  Sun, Sheng;  Han, En-Hou
收藏  |  浏览/下载：140/0  |  提交时间：2021/02/02
Oxygen adsorption  Cl-induced corrosion  Cr doping  Implicit solvation model  Joint density functional theory  
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
作者:  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.
收藏  |  浏览/下载：122/0  |  提交时间：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  
Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations 期刊论文
ELSEVIER SCIENCE BV, 2017, 卷号: 139, 页码: 412-418
作者:  Li, Yue;  Dai, Jianhong;  Song, Yan;  Yang, Rui;  Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China.
收藏  |  浏览/下载：126/0  |  提交时间：2018/01/10
Density Functional Theory  Ti2alnb  Oxygen Adsorption  
Adsorption and diffusion of oxygen on gamma-TiAl(001) and (100) surfaces 期刊论文
Computational Materials Science, 2015, 卷号: 97, 页码: 55-63
作者:  S. E. Kulkova;  A. V. Bakulin;  Q. M. Hu;  R. Yang
收藏  |  浏览/下载：146/0  |  提交时间：2015/01/14
Adsorption  Tial Surfaces  Oxygen Diffusion  Electronic Structure  Density-functional Theory  Total-energy Calculations  Titanium-aluminum-alloys  Wave Basis-set  Oxidation Behavior  Ti-al  Initial Oxidation  Elastic-constants  1st-principles  Hydrogen  
Carboxyl groups trigger the activity of carbon nanotube catalysts for the oxygen reduction reaction and agar conversion 期刊论文
Nano Research, 2015, 卷号: 8, 期号: 2, 页码: 502-511
作者:  Y. X.;  Chen Zhang, C. L.;  Peng, L. X.;  Ma, Z. S.;  Zhang, Y. J.;  Xia, H. H.;  Yang, A. L.;  Wang, L.;  Su, D. S.;  Zhang, J.
收藏  |  浏览/下载：133/0  |  提交时间：2015/05/08
Carbon Nanotubes  Functionalization  Carboxyl Group  Oxygen Reduction  Reaction  Biomass Conversion  Wet Air Oxidation  Electrocatalytic Activity  Activated Carbon  Ozone  Performance  Adsorption  Electrodes  Graphite  Fructose  
Metal-Free Carbon Catalysts for Oxidative Dehydrogenation Reactions 期刊论文
Acs Catalysis, 2014, 卷号: 4, 期号: 9, 页码: 3212-3218
作者:  W. Qi;  D. S. Su
收藏  |  浏览/下载：101/0  |  提交时间：2015/01/14
Nanocarbon  Oxidative Dehydrogenation  Heterogeneous Catalysis  Metal-free Catalysis  Carbon Catalysis  Onion-like Carbon  Heterogeneous Catalysis  Mediated Catalysis  Nanotube  Catalysts  N-butane  Ethylbenzene  Styrene  Oxygen  Surface  Adsorption