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北京航空航天大学 [100]

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期刊论文 [83]

会议论文 [17]

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限定条件	专题：北京航空航天大学第一署名单位第一作者单位通讯作者单位

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	Wetting mechanism of CMAS melt on YSZ surface at high temperature: First-principles calculation 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 483, 页码: 811-818 作者: Li, Bingtian; Chen, Zheng; Zheng, Haizhong; Li, Guifa; Li, Huijun 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/30 CMAS melt YSZ thermal barrier coatings Wettability Micromechanism Density functional theory
	A first principle study on the adsorption of H2O2 on CuO (111) and Ag/CuO (111) surface 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 479, 页码: 989-996 作者: Guo, Yanxin; Hu, Riming; Zhou, Xiaolong; Yu, Jie; Wang, Lihui 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/30 Ag CuO H2O2 Adsorption Dissociation Density functional theory
	Two-Dimensional Amorphous TiO2 Nanosheets Enabling High-Efficiency Photoinduced Charge Transfer for Excellent SERS Activity 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 页码: 5856-5862 作者: Wang, Xiaotian; Shi, Wenxiong; Wang, Shaoxiong; Zhao, Hewei; Lin, Jie 收藏 \| 浏览/下载：58/0 \| 提交时间：2019/12/30 Amorphous semiconductors Charge transfer Coordination reactions Density functional theory Electronic density of states Energy gap Molecules Nanosheets Raman scattering Surface scattering Titanium dioxide Charge transfer complex Crystalline counterpart Electrostatic potentials First-principles density functional theory Kelvin probe force microscopy Photoinduced charge transfer Semiconductor nanomaterials Surface enhanced Raman Scattering (SERS) Substrates
	Tannic acid-based adsorbent with superior selectivity for lead(II) capture: Adsorption site and selective mechanism 期刊论文 CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 364, 页码: 160-166 作者: Zou, Liezhao; Shao, Penghui; Zhang, Kai; Yang, Liming; You, Deng 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/30 Adsorption Heavy metal Tannic acid Lead ions Selectivity Density functional theory
	Direct Cation Exchange in Monolayer MoS2 via Recombination-Enhanced Migration 期刊论文 PHYSICAL REVIEW LETTERS, 2019, 卷号: 122, 页码: 106101 作者: Yang, Shi-Ze; Sun, Weiwei; Zhang, Yu-Yang; Gong, Yongji; Oxley, Mark P. 收藏 \| 浏览/下载：21/0 \| 提交时间：2019/12/30 Activation energy Atoms Binary alloys Density functional theory Electronic properties Electrons Energy barriers High resolution transmission electron microscopy Layered semiconductors Molybdenum compounds Monolayers Scanning electron microscopy Sulfur Atomic-scale defects Cation exchanges Diffusion mechanisms Electron-hole recombination Optical and electronic properties Scanning transmission electron microscopy Thermal activation Two-dimensional materials Sulfur compounds
	Submolecular Imaging of Parallel Offset pi-pi Stacking in Nonplanar Phthalocyanine Bilayers 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 页码: 7178-7184 作者: Niu, Tianchao; Si, Nan; Zhou, Dechun; Zhou, Miao 收藏 \| 浏览/下载：66/0 \| 提交时间：2019/12/30 Aromatic compounds Binding energy Calculations Molecules Scanning tunneling microscopy Atomic scale imaging Different substrates First-principles calculation Molecular assembly Preferential interaction Sub-molecular resolution Theoretical calculations Weak interactions Density functional theory
	Enhanced CO2 Adsorption over Silica-Supported Tetraethylenepentamine Sorbents Doped with Alkanolamines or Alcohols 期刊论文 INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 页码: 156-164 作者: Zhao, Yuan; Zhu, Yidi; Zhu, Tianle; Lin, Guiping; Huo, Jiangbo 收藏 \| 浏览/下载：14/0 \| 提交时间：2019/12/30 Alkanolamines Carbon dioxide Chemical reactors Density functional theory Scanning electron microscopy Silica Sorbents X ray photoelectron spectroscopy CO2 adsorption Diethanolamine Fixed bed reactor Hydroxyl groups Incipient impregnation Porous silica Tetraethylenepentamine Utilization efficiency Adsorption
	Insight into the effect of co-doped to the photocatalytic performance and electronic structure of g-C3N4 by first principle 期刊论文 APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 241, 页码: 319-328 作者: Zhu, Zhi; Tang, Xu; Wang, Tianshuai; Fan, Wenqian; Liu, Zhi 收藏 \| 浏览/下载：8/0 \| 提交时间：2019/12/30 Co-doped Photoelectric properties High-efficiency Density functional theory Photocatalytic degradation 2-mercaptobenzothiazole
	Studying of Co-doped g-C3N4 and modified with Fe3O4 quantum dots on removing tetracycline 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 775, 页码: 248-258 作者: Zhu, Zhi; Tang, Xu; Fan, Wenqian; Liu, Zhi; Huo, Pengwei 收藏 \| 浏览/下载：12/0 \| 提交时间：2019/12/30 Density functional theory Co-doped Fe3O4-QDs Photocatalytic degradation Oxidation-reduction centre Quantum effect
	Quantum capacitance of transition metal and nitrogen co-doped graphenes as supercapacitors electrodes: A DFT study 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 496 作者: Hu, Riming; Shang, Jiaxiang 收藏 \| 浏览/下载：6/0 \| 提交时间：2019/12/30 Quantum capacitance Density functional theory Graphene Transition metal Supercapacitor

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