Bo Han

visiting PhD student (CSC Scholar)
email: bo.han@stud.unileoben.ac.at, csu_hb628@163.com

About my project

Short bio

02/2025–presentVisiting PhD student in Computational Materials Science, Montanuniversität Leoben, Austria
2020–presentJoined Study of Master and PhD in Powder Metallurgy Institute, Central South University, China
2016–2020BEng in School of Iron and Steel, Soochow University, China

Research topics

Publications

  1. R. Jiang, J. Wang, B. Han, Y. Du, L. Sun, S. Liu: "Effects of Li doping on the dehydrogenation properties of MgH2(110) surface: Insights from first-principles Calculations". International Journal of Hydrogen Energy, 100, 1-9 (2025). DOI: https://doi.org/10.1016/j.ijhydene.2024.12.186

  2. Z. Zeng, J. Wang, S. Zhang, B. Han, F. Dang, S. Li, Y. Du: "Understanding the electrochemical properties of Mg-doped Li2MnO3: first-principles calculations". Phys. Chem. Chem. Phys., 26, 18776-18787 (2024). DOI: 10.1039/D4CP01733A

  3. J. Wang, B. Han, Z. Zeng, S. Wen, F. Xu, Y. Du: "Understanding the dehydrogenation properties of Mg(0001)/MgH2(110) interface from first principles". Materials Reports: Energy, 4(1), 100254 (2024). DOI: https://doi.org/10.1016/j.matre.2024.100254

  4. Y. Jia, P. Zhou, X. Xiao, X. Wang, B. Han, J. Wang, F. Xu, L. Sun, L. Chen: "Synergetic action of 0D/2D/3D N-doped carbon nanocages and NbB2 nanocatalyst on reversible hydrogen storage performance of lithium borohydride". Chemical Engineering Journal, 485, 150090 (2024). DOI: https://doi.org/10.1016/j.cej.2024.150090

  5. Y. Jia, B. Han, J. Wang, S. Yuan, L. Tang, Z. Zhang, Y. Zou, L. Sun, Y. Du, L. Chen, X. Xiao: "Inducing One-Step Dehydrogenation of Magnesium Borohydride via Confinement in Robust Dodecahedral Nitrogen-Doped Porous Carbon Scaffold". Advanced Materials, 36(40), 2406152 (2024). DOI: https://doi.org/10.1002/adma.202406152

  6. B. Han, J. Wang, J. Tan, Y. Ouyang, Y. Du, L. Sun: "First-principles study on the dehydrogenation thermodynamics and kinetics of Ti, Zr, V and Nb doped MgH2". Journal of Energy Storage, 83, 110612 (2024). DOI: https://doi.org/10.1016/j.est.2024.110612

  7. B. Han, Y. Jia, J. Wang, X. Xiao, L. Chen, L. Sun, Y. Du: "The structural, energetic and dehydrogenation properties of pure and Ti-doped Mg(0001)/MgH2(110) interfaces". J. Mater. Chem. A, 11, 26602-26616 (2023). DOI: 10.1039/D3TA06177A

  8. Y. Ren, B. Han, H. Wu, J. Wang, B. Liu, B. Wei, Z. Jiao, I. Baker: "Copper segregation-mediated formation of nanotwins and 9R phase in titanium alloys produced by laser powder bed fusion". Scripta Materialia, 224, 115115 (2023). DOI: https://doi.org/10.1016/j.scriptamat.2022.115115

  9. J. Xie, J. Wang, F. Zeng, B. Han, F. Guo, L. Qiu, Y. Du: "Oxidation resistance of TiSiN and AlCrN hard-coatings: Ab initio calculations and experiments". Applied Surface Science, 616, 156459 (2023). DOI: https://doi.org/10.1016/j.apsusc.2023.156459

  10. A. Ding, B. Han, S. Zhang, Q. Huang, J. Wang, C. Wei, Y. Du, H.J. Seifert: "Ab initio molecular dynamics study on the disordered Li–Ga–Sn system". Phys. Chem. Chem. Phys., 24, 10537-10547 (2022). DOI: 10.1039/D2CP00618A