研究领域

IV(B)-氮化物、稀土及过渡金属氧化物的结构和性质的理论研究。

IV(B)-氮化物、稀土及过渡金属氧化物的结构和性质的理论研究。

近期论文

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Yufen Zhang, Xian Zhao, Xiufeng Cheng and Yuguang Mu*, “Density functional study on electronic properties of P-doped spinel silicon carbon nitride”, Journal of Solid State Chemistry, 2008, 181 (8), pp: 2113–2116. Yufen Zhang, Xian Zhao, and Yuguang Mu*, “Conformational Transition Map of an RNA GCAA Tetraloop Explored by Replica-Exchange Molecular Dynamics Simulation”, Journal of Chemical Theory and Computation, 2009, 5 (4), pp: 1146–1154. Yufen Zhang*, Xian Zhao, “Density functional study on electronic and optical properties of C (or N)- doped cubic cerium dioxide”，Journal of Solid State Chemistry, 2009, 182:3207-3210. 张玉芬, 程秀凤, 赵显, “用DFT方法研究:C和As共掺杂的γ-Si3N4的电子性质”, 高等学校化学学报, 2009, 30-12 2452-2454. Yu-Fen Zhang*, Hao Ren, Zhi-Tao Hou, et.al., “First-principles calculations of electronic and optical properties of Mn-doped cubic HfO2”, Journal of Alloys and Compounds, 609 (2014) 107–110. Yu-Fen Zhang*, Hao Ren, Zhi-Tao Hou, “First-principles calculations of electronic and optical properties of C-doped and F, C-codoped cubic ZrO2”, Journal of Alloys and Compounds 617 (2014) 86–92. Yu-Fen Zhang*, Hao Ren, Zhi-Tao Hou, “First-principles calculations of electronic and optical properties of F, C-codoped cubic HfO2”, Journal of Magnetism and Magnetic Materials 375 (2015) 61–64.