王秀军 - 华南理工大学 - 化学与化工学院

研究领域

（1）表面催化的机理研究及催化剂的设计。（2）有机反应路径的量子化学模拟。（3）通过统计校正的方法校正第一原理计算的误差。（4）微生物燃料电池的电极性能研究。

近期论文

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Methane dissociation on Pt(1 1 1), Ir(1 1 1) and PtIr(1 1 1) surface: A density functional theory study, Qiuhong Qi, Xiujun Wang*, Li Chen, Baitao Li, Applied Surface Science 2013, 284, 784-791. Influence of Electrode Characteristics on Coulombic Efficiency (CE) in Microbial Fuel Cells (MFCs) Treating Wastewater, Xiujun Wang*, Carlo Santoro, Pierangela Cristiani, Gaetano Squadrito, Yu Lei, Alexander George Agrios, Ugur Pasaogullari, Baikun Li, Journal of The Electrochemical Society, 2013, 160 (7) G3117-G3122. "Development, Scope and Mechanisms of Multicomponent Reactions of Asymmetric Electron-Deficient Alkynes with Amines and Formaldehyde", Hua Cao, Xiujun Wang, Huanfeng Jiang,Qiuhua Zhu, Min Zhang, and Haiyang Liu, Chem. Eur. J. 14, 11623(2008). “Theoretical investigation of optical properties of single-walled carbon nanotubes”, Yang Zhao, XiuJun Wang, ChiChiu. Ma and GuanHua. Chen, Handbook of Theoretical and Computational Nanotechnology, edited Michael Reith and Wolfram Schommers (American Scientific Publishers, California, 2005) (Invited). “Improving the accuracy of density functional theory calculation: the statistical correction approach”, XiuJun Wang, LaiHo Wong, LiHong Hu, ChakYu Chan, Zhongmin Su and GuanHua Chen, J. Phys. Chem. A 108, 8514 (2004). “Absorption-Spectral Features of Single-Walled Carbon Nanotubes”, Yang Zhao, XiuJun Wang, ChiChiu. Ma and GuanHua Chen, Chem. Phys. Lett.387, 149 (2004). “Combined first-principles calculation and neural-network correction approach for heat of formation”, LiHong Hu, XiuJun Wang, LaiHo Wong and GuanHua Chen, J. Chem. Phys. (Commun.)119,11501-11507 (2003). “Electronic Structures and Optical Properties of Open and Capped Carbon Nanotubes”, WanZhen Liang, XiuJun Wang, Satoshi Yokojima and GuanHua Chen, J. Am. Chem. Soc.122, 11129-11137 (2000).