Lei Wan

The influence of doping amount on the catalytic oxidation of formaldehyde by Mn-CeO2 mixed oxide catalyst: A combination of DFT and microkinetic study

Weiyu Song, Lulu Chen, Lei Wan et al. · Journal of Hazardous Materials · 2021 · 31 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +16

Insight into structural stability and helium diffusion behavior of Fe–Cr alloys from first-principles

Lei Wan, Qingqing Wang, Xiaoqiu Ye et al. · RSC Advances · 2020 · 22 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

New insights into the anti-disproportionation mechanism of ZrCo alloying with Ti, Hf, Sc, Cu, and Fe elements

Jun‐Chao Liu, Tao Gao, Qingqing Wang et al. · International Journal of Hydrogen Energy · 2020 · 21 citations

Natural Sciences, Materials Engineering, Materials Science +15

Adsorption and dissociation behavior of H2O on PuH2 (1 1 0) surface: A density functional theory study

Wenhua Luo, Jingli Shi, Lei Wan et al. · Applied Surface Science · 2021 · 14 citations

Natural Sciences, Chemistry, Materials Science +14

First-principles study of the interstitial stability and microscopic diffusion mechanism of hydrogen atom in Zr, Ti elemental and ZrTi2 alloys

Shuang Zhu, Lei Wan, Yakun Guo et al. · Materials Chemistry and Physics · 2021 · 12 citations

Natural Sciences, Materials Engineering, Materials Science +17