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Calculation and prediction of sliding energy barriers by ffrst-principles combined with machine learning 期刊论文
Ceramics International, 2023, 期号: 49, 页码: 24752–24761
Authors:  Yuan Niu;  Yun Wang;  Minjuan He;  Wenhao He;  Zhenghua Zha;  Zhibin Lu
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First-principles calculations  Machine learning  Maximum sliding energy barrier  Elemental 2D materials  Friction  Interfacial charge transfer  
In-plane adjustment of atomic positions and layer-dependent friction in 2D materials 期刊论文
Applied Surface Science, 2023, 期号: 620, 页码: 156810
Authors:  Minjuan He;  Yunfeng Wang;  Wenhao He;  Yuan Niu;  Zhibin Lu
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First-principles  2D materials  Layer-dependent friction  Atomic displacement  
The influences of atom relaxation on the DFT-calculated friction properties of the h-BN/h-BN and Gr/Gr interfaces 期刊论文
Tribology International, 2022, 期号: 173, 页码: 107586
Authors:  Yunfeng Wang;  Minjuan He;  Wenhao He;  Yuan Niu;  Zhibin Lu
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Effect of oxygen atoms adsorption and doping on hexagonal boron nitride 期刊论文
Physica E: Low-dimensional Systems and Nanostructures, 2021, 期号: 135, 页码: 114977
Authors:  Kun Liu;  Xinghua Zhu;  Bo Lin;  Zhibin Lu;  Guangan Zhang
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The first-principles calculations to explore the mechanism of oxygen diffusion on vacancy defective graphene in marine environment 期刊论文
Applied Surface Science, 2020, 期号: 525, 页码: 146585
Authors:  Shengguo Zhou;  Wenjun Yao;  Zhixiang Wang;  Liqiu Ma;  Zhibin Lu;  Chunju Hou
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Doped graphene  Diffusion energy barrier  Marine environment  First-principles  
Effect of electric currents on tribological behaviors of Ti/MoS2 composite film sliding against aluminum 期刊论文
Surface Topography: Metrology and Properties, 2019, 期号: 7, 页码: 025014
Authors:  Peng Wang;  Guangan Zhang;  Zhibin Lu;  Wen Yue;  Lina Zhu
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Study of first-principle about water and N2 adsorption on the non-doped and nitrogen-doped diamond (111) surface 期刊论文
Physica B: Physics of Condensed Matter, 2019, 期号: 575, 页码: 411697
Authors:  Yunfeng Wang;  Xinghua Zhu;  Zhibin Lu;  Bo Lin;  Guangan Zhang
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First-Principles Delimitation of the Boundary between Intralayer and Interlayer in Two-Dimensional Structures 期刊论文
Journal of Physical Chemistry C, 2019, 期号: 123, 页码: 26912-26920
Authors:  Ziwen Cheng;  Bozhao Zhang;  Xuhong An;  Zhibin Lu;  Guangan Zhang;  Fei Ma;  Feng Zhou
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