学术成果、科研项目: 1、缺陷对钛酸铜钙介电性能影响的微观机制研究,湖北省科技厅自然科学基金,2015,主持。 2、类钙钛矿结构钛酸铜钙中缺陷态性质的理论研究,国家自然科学基金理论物理专项,2016,主持。
1. Haibo Xiao, Shiheng Liang, Lingfang Xu, Ruilong Wang * , Changping Yang, 2D high temperature ferromagnetic Co2Ti2Sn2 monolayer with tunable magnetic anisotropy and superior mechanical flexibility: A first-principles and Monte Carlo study, Physica E: Low-dimensional Systems and Nanostructures 135 (2022) 114939. 2. Naveed Mushtaq, Yuzheng Lu , Chen Xia, Wenjing Dong, Baoyuan Wang, Xunying Wang, M.A.K. Yousaf Shah, Sajid Rauf, Nie Jingjing, Enyi Hu, Haibo Xiao∗, Rizwan Raza, Jung-Sik Kim, Bin ZhuDesign principle and assessing the correlations in Sb-doped Ba0.5Sr0.5FeO-d perovskite oxide for enhanced oxygen reduction catalytic performance, Journal of Catalysis 395 (2021) 168–177. 3. Xiaonan Wang, Haibo Xiao∗, Ruilong Wang, Shiheng Liang, Changping Yang,Effect of S vacancy or non-metallic atom (C, N and F) doping on the adsorption behaviors of molecules (H2S, BF4) on monolayer MoS2,Physica E 124 (2020) 114292. 4. Haibo Xiao∗Xiaonan Wang, Ruilong Wang, Lingfang Xu, Shiheng Liang andChangping Yang*, Intrinsic magnetism and biaxial strain tuning in two-dimensional metal halides V3X8 (X = F, Cl, Br, I)from first principles and Monte Carlo simulation,Phys. Chem. |