◆发表论文
1) Xiyuan Sun*; Pengfei Yin; Yi Zhang; Chuanyu Zhang; Xing Feng; Gang Jiang, Efficient hydrogen storage capacity of La3B18: A DFT study, Int. J. hydrogen Energy, (2023) 8: 7807-7813.
2) Sun, Xiyuan*; Wang, Jian; Yin, Pengfei; Zhang, Yi; Wang, Kaiming; Jiang, Gang, H2O adsorption and O-H breaking on Co5M (M = Co, Y-Ag) clusters: A DFT study, J. Mol. Liq, (2022) 348: 118469.
3) Xiyuan Sun*, Yi Zhang, Pengfei Yin, Chuanyu Zhang, Xing Feng, Jian Wang, Point-defect engineering on phosphorene quantum dots for DNA bases adsorption and sensor performance, Mater. Today Commun, (2022) 33: 104868.
4) Sun, Xiyuan*; Yin, Pengfei; Wang, Kaiming; Jiang, Gang, CCSD(T) study on the structures and chemical bonds of AnO molecules (An=Bk–Lr), Chin. Phys. B, (2021) 30: 033101.
5) Sun, Xiyuan*; Wang, Kaiming; Yin, Pengfei; Zhang, Yi; Jiang, Gang, Magnetism, chemical bonding of Co5M clusters (M=Y-Ag), Eur. Phys. J. Plus, (2021) 136:294.
6) Sun, Xiyuan*; Wang, Kaiming; Yin, Pengfei; Zhang, Yi; Feng, Xing, Quasi-planar B50 sheet as a potential molecular sensor for NO2: A DFT study, Mater. Chem. Phys, (2021) 260:124104.
7) Zhou, Shengqiang; Sun, Xiyuan*; Jiang, Gang, A DFT study on the adsorption of nucleobases with Au20, J. Mol. Model, (2021) 27: 29.
8) Sun, Xiyuan*; Du, Jiguang; Zhao, Liang; Jiang, Gang, Water dissociation and H migration on metal decorated B40: A density functional theory (DFT) study, J. Mol. Liq, (2020) 315: 113759.
9) Sun, Xiyuan*; Cheng, Saisai; Feng, Xing, The detection of NH3 with M&B40 (M = Be, Mg) clusters, Ionics, (2019) 25:3413–3418.
10) Cheng, Saisai; Sun, Xiyuan*; Zhao, Liang; Chen, Jun, The interaction of guanine nucleobase with B40 borospherene, Eur. Phys. J. D, (2019) 73: 88.