Bo Sun

activity

20122025

most citedFirst-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

48 citations · 84 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2025

The chemisorption thermodynamics of O $_{2}$ and H $_{2}$ O on AFM UO $_{2}$ surfaces unraveled by DFT+U-D3 study

Yang Huang, Le Zhang, Hefei Ji +5

Unraveling the adsorption mechanism and thermodynamics of O $_{2}$ and H $_{2}$ O on uranium dioxide surfaces is critical for the nuclear fuel storage and uranium corrosion. Based on the…

The chemisorption thermodynamics of O2​ and H2​O on AFM UO2​ surfaces unraveled by DFT+U-D3 study

The chemisorption thermodynamics of O $_{2}$ and H $_{2}$ O on AFM UO $_{2}$ surfaces unraveled by DFT+U-D3 study