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Paper Publications

chenlixin.Se-doped Li 6 PS 5 Cl and Li 5.5 PS 4.5 Cl 1.5 with improved ionic conductivity and interfacial compatibility: a high-throughput DFT study.Journal of Materials Chemistry C,2022,10(48):18294-18302
chenlixin.Machine learning-enabled band gap prediction of monolayer transition metal chalcogenide alloys.Physical Chemistry Chemical Physics,2022,24(7):4653-4665
chenlixin,High-entropy alloy catalysts: high-throughput and machine learning-driven design.J. Mater. Inform,2022,2(19):10.20517
chenlixin.High-throughput and machine-learning accelerated design of high entropy alloy catalysts.Trends in Chemistry,2022
chenlixin.Transition-metal-free boron doped SbN monolayer for N2 adsorption and reduction to NH3: A first-principles study.Journal of Colloid and Interface Science,2022(607):1551-1561
chenlixin.Eggshell-like MoS2 Nanostructures with Negative Curvature and Stepped Faces for Efficient Hydrogen Evolution Reactions.ACS Applied Nano Materials,2021,4(12):14086-14093
chenlixin.Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide.Physical Chemistry Chemical Physics,2021,23(10):6298-6308
chenlixin,Two-dimensional graphdiyne-confined platinum catalyst for hydrogen evolution and oxygen reduction reactions.ACS Applied Materials & Interfaces,2021,13(40):47541-47548
chenlixin.How does mass transfer influence electrochemical carbon dioxide reduction reaction? A case study of Ni molecular catalyst supported on carbon.Chemical Communications,2021,57(11):1384-1387
chenlixin,Insights into oxygen activation on metal clusters for catalyst design.Journal of Materials Chemistry A,2021,9(19):11726-11733
chenlixin.Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide.Physical Chemistry Chemical Physics,2021,23(35):19525-19536
chenlixin.Machine-learning-accelerated discovery of single-atom catalysts based on bidirectional activation mechanism.Chem Catalysis,2021,1(1):183-195

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