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兰州理工大学 [181]

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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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	Cation and polyanion co-doping synergy to improve electrochemical performances of Li-rich manganese-based cathode materials 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 卷号: 924 作者: Li, Chunlei; Cai, Xingpeng; Fu, Xiaolan; Zhang, Ningshuang; Ding, Hao 收藏 \| 浏览/下载：20/0 \| 提交时间：2022/09/22 Li -rich manganese -based cathode Doping Singlet oxygen Charge regulation Double site occupation
	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：30/0 \| 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：27/0 \| 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
	The controllable electronic characteristics and Schottky barrier of graphene/GaP heterostructure via interlayer coupling and in-plane strain 期刊论文 Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2022, 卷号: 284 作者: Lu, Xuefeng; Li, Lingxia; Guo, Xin; Ren, Junqiang; Xue, Hongtao 收藏 \| 浏览/下载：18/0 \| 提交时间：2022/08/09 Binding energy Calculations Gallium compounds Graphene Ground state Heterojunctions III-V semiconductors Ohmic contacts Schottky barrier diodes Strain Thermoelectric equipment Van der Waals forces Electronic characteristics Graphene/GaP In-plane strains Interlayer coupling Layer-spacing Micro/nano Nanoelectronic devices P-type Schottky barriers Schottky contacts
	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：22/0 \| 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：33/0 \| 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
	Direct Determination of Band Gap of Defects in a Wide Band Gap Semiconductor 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14, 期号: 32, 页码: 36875-36881 作者: Yan, Xuexi; Jin, Qianqian; Jiang, Yixiao; Yao, Tingting; Li, Xiang 收藏 \| 浏览/下载：93/0 \| 提交时间：2022/09/22 IDBs band gap transmission electron microscopy electron energy-loss spectroscopy first-principles calculations AlN
	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：18/0 \| 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

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