研究领域
材料的第一性原理和量子化学计算。
近期论文
Xiaobo Chen, Jinhua He, Deepak Srivastava and Jun Li, “Electrochemical cycling reversibility of LiMoS2 using first-principles”, Appl. Phys. Lett. 100, 263901 (2012).
Xiaobo Chen, Xiaodong Pi, and Deren Yang. “Silicon nanocrystals doped with substitutional or interstitial manganese”. Appl. Phys. Lett. 99, 193108 (2011).
Xiaobo Chen, Xiaodong Pi, and Deren Yang. “Critical Role of Dopant Location for P-Doped Si Nanocrystals”. J. Phys. Chem. C 115, 661–666, (2011).
Xiaodong Pi, Xiaobo Chen, and Deren Yang, “Optical absorption and emission of nitrogen-doped silicon nanocrystals”. Nanoscale 3, 4584 (2011).
Xiaobo Chen, Xiaodong Pi, and Deren Yang. “Bonding of oxygen at the oxide/nanocrystal interface of oxidized silicon nanocrystals: an ab initio study”. J. Phys. Chem. C 114, 8774 (2010).