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兰州理工大学 [95]

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期刊论文 [93]

会议论文 [2]

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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：31/0 \| 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
	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
	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：23/0 \| 提交时间：2022/08/09 First-principles calculations Perovskite solar cell Surface states passivation
	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：31/0 \| 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
	Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs 期刊论文 Journal of Molecular Structure, 2022, 卷号: 1262 作者: Song, Xiaoli; Pang, Yaming; Yuan, Yuanyuan; Fu, Yuxiu; Gao, Liguo 收藏 \| 浏览/下载：20/0 \| 提交时间：2022/04/21 Calculations Citrus fruits Energy gap Nickel Photocatalytic activity Precipitation (chemical) Wastewater treatment D orbitals DFT Dyes wastewaters Fe 3+ Homogeneous Precipitation Hydrotalcites Low band gap Ni2+-al3+-CO32−-LDH Ni2+-fe3+-CO32−-LDH Single electron
	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：13/0 \| 提交时间：2022/06/21 Simple substances Allotrope Charge distribution Oxidation number Density function theory
	First-principles study of the impact of hydrogen on the adsorption properties of Ti-decorated graphdiyne storage methane 期刊论文 Chemical Physics Letters, 2022, 卷号: 790 作者: Zhao, Qiuyu; Chen, Yuhong; Xu, Wenhui; Ju, Jiaming; Zhao, Yingjie 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/04/21 Adsorption Density functional theory Hydrogen storage Titanium compounds Adsorption capacities Adsorption properties CH 4 Density-functional-theory First principles First-principle study Graphdiyne Methane and hydrogen mixed storage Negative charge Ti-decorated
	Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas 期刊论文 JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 5, 页码: 3231-3251 作者: Jiang, Lili; Chen, Zhaoyu; Cui, Qi; Xu, Su; Tang, Fuling 收藏 \| 浏览/下载：23/0 \| 提交时间：2022/03/01 Acetone Charge transfer Chemical detection Chemical sensors Density functional theory Design for testability Gas detectors Gases Nanosheets Perovskite Tin compounds Acetone gas Density-functional-theory First principle method Gas sensitivity High sensitivity Perovskite type Sensing material Sensing mechanism Sensitivity mechanisms Sensitivity tests
	Nonlocal theory of thermoelastic diffusive materials and its application in structural dynamic thermo-elasto-diffusive responses analysis 期刊论文 WAVES IN RANDOM AND COMPLEX MEDIA, 2022, 卷号: 32, 期号: 1, 页码: 174-203 作者: Li, Chenlin; He, Tianhu; Tian, Xiaogeng 收藏 \| 浏览/下载：10/0 \| 提交时间：2022/03/01 Thermoelastic diffusion coupling nonlocal elasticity nonlocal heat conduction nonlocal mass diffusion structural dynamic responses
	First-principles study on lattice structures and electronic properties of Li1/2La1/2TiO3/Li2S interface 期刊论文 SOLID STATE IONICS, 2021, 卷号: 373 作者: Zhao, Qing-Shan; Xue, Hong-Tao; Tang, Fu-Ling; Wei, Cheng-Dong 收藏 \| 浏览/下载：22/0 \| 提交时间：2021/12/17 Li1/2La1/2TiO3/Li2S interface First-principles calculations Electronic structure

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