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兰州理工大学 [45]

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	Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations 期刊论文 Computational Materials Science, 2022, 卷号: 214 作者: Guo, Xin; Zhou, Jitian; Zhang, Xingxing; Yang, Ping; Ren, Junqiang 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/09/22 Alloying Atoms Austenite Calculations Chemical bonds Density functional theory Electrons Density diagram Differential charge First principle calculations First principles Heat-resistant steel Interface energy Interface property Orbital electrons Orbitals Segregation
	Highly efficient removal of PM and VOCs from air by a self-supporting bifunctional conjugated microporous polymers membrane 期刊论文 Journal of Membrane Science, 2022, 卷号: 659 作者: Wang, Yunjia; Su, Yanning; Yang, Lijuan; Su, Min; Niu, Ye 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/08/09 Air purification Bromine compounds Chemical bonds Chemical reactions Conjugated polymers Efficiency Gas adsorption Membranes Microporosity Physicochemical properties Potassium compounds Volatile organic compounds Bi-functional Conjugated microporous polymers Organic vapors Particulate Matter Particulate matter capture Polymer membrane Removal efficiencies Vapor adsorption Volatile organic vapor adsorption Volatile organics
	First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent 期刊论文 Journal of Applied Physics, 2022, 卷号: 132, 期号: 6 作者: Zhao, Qiuyu; Ju, Jiaming; Chen, Yuhong; Xu, Wenhui; Zhao, Yingjie 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/09/22 Adsorption Atoms Binding energy Carbon nitride Chemical bonds Doping (additives) Electric fields Substrates Titanium Adsorption energies Charged substrates First-principle study Graphyne High capacity Inter-molecular forces N-doped Negative charge Negatively charged Ti atoms
	Carbonized clay pectin-based aerogel for light-to-heat conversion and energy storage 期刊论文 Applied Clay Science, 2022, 卷号: 224 作者: Wang, Linqiang; Liang, Weidong; Liu, Yi; Wang, Yanqing; Mu, Wenxiao 收藏 \| 浏览/下载：37/0 \| 提交时间：2022/06/20 Carbon Chemical bonds Chemical stability Compressive strength Cost effectiveness Energy utilization Heat storage Phase change materials Porous materials Solar energy Storage (materials) Strain Thermal conductivity Thermal energy Cost effective Energy storage capacity Fatty amines Heat energy Hierarchical porous carbons Light-to-thermal Performance Shape stability Shape stabilized phase change material Thermal
	Insights into the improved cycle and rate performance by ex-situ F and in-situ Mg dual doping of layered oxide cathodes for sodium-ion batteries 期刊论文 Energy Storage Materials, 2022, 卷号: 45, 页码: 1153-1164 作者: Cui, Xiaoling; Wang, Shimin; Ye, Xiushen; Fan, Xiaoqi; Gao, Cankun 收藏 \| 浏览/下载：24/0 \| 提交时间：2022/04/21 Binary alloys Cathodes Chemical bonds Electric discharges Iron compounds Magnesium compounds Metal ions Nickel compounds Phosphorus compounds Sodium compounds Transition metals Double doping Ex situ F-doping In-situ doping In-situ mg Layered oxides Manganese-based layered oxide Mg-doping P2 phase Performance
	On the Investigation of Effective Factors on Electronic Structure Properties of Transition Metal Complexes: Robust Modeling Using GPR Approach 期刊论文 International Journal of Chemical Engineering, 2022, 卷号: 2022 作者: Wang, Jianjun; Molla Jafari, Mohammad Mahdi 收藏 \| 浏览/下载：21/0 \| 提交时间：2022/04/21 Chemical bonds Computation theory Density functional theory Electronic structure Inorganic compounds Spin dynamics Transition metal compounds Transition metals Density functional theory simulations Electronic.structure Gaussian process regression High-throughput Inorganics Kernel function Robust modeling Spin state Structure property Transition-metal complex
	Effect of Anodizing Treatment on Ultrasonic Welding 6063 Aluminum Alloy and PPS 期刊论文 Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2022, 卷号: 51, 期号: 1, 页码: 241-248 作者: Yu, Weiyuan; Zhang, Tao; Wang, Youliang 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/04/21 Aluminum alloys Chemical bonds Porosity Sulfur compounds Ultrasonic welding Ultrasonics 6063 aluminium alloys Anodizing treatment Polyphenylene sulfides Polyphenylene sulphide Porous structures Shear strength of joint Ultrasonic weldings Welding method Welding pressure Welding time
	Structurecomposition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文 Journal of Physics and Chemistry of Solids, 2021, 卷号: 154 作者: Xue, Hongtao; Lei, Chao; Tang, Fuling; Li, Xiuyan; Luo, Yaqiao 收藏 \| 浏览/下载：10/0 \| 提交时间：2021/06/03 Alloying Alloying elements Binary alloys Calculations Chemical bonds Copper alloys Electronic structure Fracture toughness Nanocrystals Segregation (metallography) Separation Structural properties Thermodynamic stability Ab initio calculations Cr segregation Electronic.structure Grain-boundaries Grain-boundary energy Mechanical Property Thermodynamics property Tilt grain boundary Work of separation
	Which of the nickel-rich NCM and NCA is structurally superior as a cathode material for lithium-ion batteries? 期刊论文 JOURNAL OF MATERIALS CHEMISTRY A, 2021, 卷号: 9, 期号: 23, 页码: 13540-13551 作者: Wang, Bo; Zhang, Fei-long; Zhou, Xin-an; Wang, Peng; Wang, Jie 收藏 \| 浏览/下载：15/0 \| 提交时间：2021/10/14 Aluminum compounds Calculations Cathode materials Cathodes Chemical bonds Dissolution Manganese Manganese compounds Oxygen vacancies Precipitation (chemical) Stability Chemical compositions Coprecipitation method First-principles calculation Lithium-ion power batteries Octahedral coordination Structural stabilities Systematic research Transition metal atoms
	Preparation and Tribological Properties of Graphene Oxide/Polydopamine-Derived Carbon Films on Silicon Substrate 期刊论文 Journal of Materials Engineering and Performance, 2021, 卷号: 30, 期号: 4, 页码: 2462-2472 作者: Zang, Chao; Yang, Ming; Jia, Zhengfeng; Zhang, Jing; Jiang, Jinlong 收藏 \| 浏览/下载：10/0 \| 提交时间：2021/06/03 Amines Atomic force microscopy Chemical bonds Composite films Film preparation Friction Graphene Machine design Morphology Oxide films Silicon wafers Substrates Tribology Argon atmospheres Chemical bondings Efficient designs Friction coefficients Hardness and elastic modulus Mechanical systems Silicon substrates Tribological properties

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