近年发表论文如下：
01.Zhang, T. T.; Tang, Q. L.; Wang, Q.; Zhang, X.; Shang，P. T. Interaction of H2S with Au(111) and Au(100): A comparative investigation with microkinetic modeling based on dispersion corrected first-principles calculations, Appl. Surf. Sci. 682(2025)161732.
02.Zhang, T. T.; Tang, Q. L.; Zhang, X.; Duan, X. X.; Yang, Y. H.; Zhang, M. L.; Qu, Z. Y. Ab Initio Microkinetics of H2S Interactions with Clean and Sulfided Au(110) at Low Temperature: A Strong Assistance in Partial Dissociation from Single Sulfur Atoms. J. Phys. Chem. C 2022, 126, 21585-21595.
03.Xian Zhang, Honglei Zhao, Sen Gao, Qingfeng Zeng. First-principles study of electronic structure and optical properties of Er:Lu2O3.Journal of Rare Earths, 2021,39(4):453-459
04.Xian Zhang, Sen Gao, WenHua Gui, Qingfeng Zeng. First-principles study of the structure,mechanical and optical properties in La- and Sc-doped Y2O3,Journal of Rare Earths, 2019,37(8):879-885
05.Xian Zhang, Sen Gao, Zhao Li, Honglei Zhao, Qingfeng Zeng. First-principles study of electronic structure and optical properties of Eu2+, M(M=Mn2+, Mg2+, Li+) co-doped γ-AlON phosphor. Ceramics International, 2019, 45(6):7778-7784
06.XuFan, Qian-LinTang,XianZhang,Tian-TianZhang,QiWang,Xiao-XuanDuan,Mao-LinZhang,Meng-YuanYao.Comprehensive theoretical analysis of the influence of surface alloying by zinc on the catalytic performance of Cu(1 1 0) for the production of methanol from CO2 selective hydrogenation: Part 1 – Thermochemical aspects.Applied Surface Science ,2019,469(3):841-853
07.Sen Gao, Xian Zhang*,Qingfeng Zeng, Shiyu Wang.First-principles study of elastic, electronic, and optical properties of α-TeO2 under pressure.Journal of Alloys and Compounds. 2019, 776(5):417-427
08.Xian Zhang, Zhao Li, Qingfeng Zeng.First-principles calculation on the electronic structure and optical properties of Eu2+ doped γ-AlON phosphor. Ceramics International, 2018, 44(2):1461-1466
09.Xian Zhang, Wenhua Gui, Qian Wu, Qingfeng Zeng. Structural, phonon, mechanical, optical, and thermodynamic properties of stable β-La2S3 from first-principles alculations. Journal of Rare Earths, 2017, 35(3):271-279
10.Xian Zhang, Wenhua Gui, Qingfing Zeng.Structural, mechanical, and thermodynamic properties of cubic Y2O3 under pressure. Ceramics International, 2017,43(3):3346-3356.
11.Tang, Qian-Lin; Duan, Xiao-Xuan; Zhang, Xian.Comparative Theoretical Study of the Chemistry of Hydrogen Sulfide on Cu(100) and Au(100): Implications for Sulfur Tolerance of Water-Gas Shift Nanocatalysts. Journal of Physical Chemistry C,2016, 120, 25351–25360 .
12.Xian Zhang, Wen-Hua Gui, Qingfing Zeng, Qichao Chen . Vibrational and dielectric properties of AlN:a first-principles study. Ceramics International,2016,42(16):18828-18832.
13.Chen B, He J, Yang H,Xian Zhang, et al. Repair of spinal cord injury by implantation of bFGF-incorporated HEMA-MOETACL hydrogel in rats. Scientific Reports, 2015, 5.