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兰州理工大学 [112]

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期刊论文 [108]

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限定条件	专题：兰州理工大学第一署名单位第一作者单位通讯作者单位

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	First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel 期刊论文 Surface Science, 2022, 卷号: 725 作者: Long, Xinglin; Shi, Jingli; Zhu, Jun; Wan, Lei; Gao, Tao 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/08/09 Alloying Alloying elements Aluminum corrosion Atoms Austenitic stainless steel Bismuth Calculations Corrosion inhibitors Corrosive effects Density functional theory Eutectics Steel corrosion Adsorption effect Adsorption energies Escape Fe atoms First principle calculations First principles Lead-bismuth eutectic Lead-bismuth eutectics Metal atoms
	Unveiling passivation roles of PEA(+) in CsPbI2Br surface 期刊论文 CHEMICAL PHYSICS, 2022, 卷号: 562 作者: Hu, Wei; Si, Fengjuan; Yang, Yutong; Xue, Hongtao; Li, Wensheng 收藏 \| 浏览/下载：21/0 \| 提交时间：2022/08/09 First-principles calculations Perovskite solar cell Surface states passivation
	Towards tailorable interface microstructure through Solid-state interface reaction between synthetic diamond grits and sputtered Ni-Cr binary alloy 期刊论文 Applied Surface Science, 2022, 卷号: 596 作者: Cheng, Wei; Liu, Zhuo; Lin, Qiaoli; Huang, Guoqin; Xu, Xipeng 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/06/20 Binary alloys Calculations Carbides Chromium alloys Chromium compounds Crystal orientation Deformation Interface states Microstructure Phase interfaces Phase transitions Single crystals Superalloys Catalytic mechanisms Crystal planes Diamond grits First principle calculations Geometric optimization Interface mi-crostructure Interface microstructures Interface reactions Phases transformation Solid-state
	Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation 期刊论文 Solid State Communications, 2022, 卷号: 353 作者: Lu, Xuefeng; Cui, Tingshu; Ren, Junqiang; Guo, Xin; Xue, Hongtao 收藏 \| 浏览/下载：32/0 \| 提交时间：2022/08/09 Binding energy Calculations Energy gap Gallium compounds Hydrogen production Lattice mismatch Layered semiconductors Light Light absorption Molybdenum compounds Photocatalytic activity Redox reactions Selenium compounds Semiconductor quantum wells Electronic.structure First principle calculations First principles First-principles investigations Gase/MoS2 Photo-catalytic Photocatalytic character Photocatalytic property Structure property Two-dimensional
	3D printed geopolymer adsorption sieve for removal of methylene blue and adsorption mechanism 期刊论文 Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022, 卷号: 648 作者: Jin, Haize; Zhang, Yuhang; Zhang, Xingxing; Chang, Min; Li, Cuixia 收藏 \| 浏览/下载：30/0 \| 提交时间：2022/06/20 Aromatic compounds Calculations Density functional theory Design for testability Geopolymers Hydrogen bonds Ion exchange Sieves 3-D printing 3D-printing Adsorption mechanism Adsorption properties Adsorption rates Density-functional theory calculations First principles Geopolymer Methylene Blue Optimisations
	First Principle Study on Effects of Al and Fe Doping on Properties of Cr20Ni80 Electrothermal Alloy 期刊论文 Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 11 作者: Li, Yamin; Zhang, Yaoyao; Zhou, Shengrui; Liu, Hongjun 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/07/20 Aluminum Binary alloys Binding energy Calculations Chromium alloys Iron alloys Al-doping Cr20ni80 electrothermal alloy Elastic properties Fe doping First principles First-principle study Formation heat Property Super cell Supercell model
	Charge fluctuation of simple substances in 3-dimensional lattices 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2022, 卷号: 1212 作者: Yang, Yu-Tong; Xue, Hong-Tao; Tang, Fu-Ling; Yao, Xiao-Jun 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/06/21 Simple substances Allotrope Charge distribution Oxidation number Density function theory
	First-principles Study of Doped (Silicon, Germanium, Tin) Single-wall Carbon Nanotubes 期刊论文 Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 9 作者: Lu, Xuefeng; Wang, Kuan; Cui, Zhihong 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/06/20 Absorption spectroscopy Atoms Calculations Semiconductor doping Single-walled carbon nanotubes (SWCN) Solar cells Doped silicon Doped systems Electronic.structure First principles First-principle study Germanium tins Silicon germaniums (SiGe) Single Wall Single-wall carbon nanotube Sn-doped
	Formation and Performance of Diamond (111)/Cu Interface from First-Principles Calculation 期刊论文 COATINGS, 2022, 卷号: 12, 期号: 5 作者: Zhao, Yongsheng; Yan, Fengyun; An, Yi 收藏 \| 浏览/下载：25/0 \| 提交时间：2022/06/21 composite adsorption energies first principles ABINIT
	Influence of S and Se doping on the electronic characteristic and optical properties of T-carbon by first-principles calculation 期刊论文 MODERN PHYSICS LETTERS B, 2022, 卷号: 36, 期号: 12 作者: Lu, Xuefeng; Zhang, Yongxiang; Guo, Xin; Ren, Junqiang; Xue, Hongtao 收藏 \| 浏览/下载：18/0 \| 提交时间：2022/06/21 T-carbon doping formation energy electronic property first principles

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