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理论与催化化学 功能性纳米材料的电学、磁学性质调制

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Y. C. Huang*, C. Y. Ling, H. Liu, S. F. Wang, B. Y. Geng*. Versatile Electronic and Magnetic Properties of SnSe2 Nanostructures Induced by the strain. J. Phys. Chem. C DOI: 10.1021/jp5013158, 2014. Y. C. Huang*, J. Y. Du, T. Zhou, C. Y. Ling, S. F. Wang, B. Y. Geng. Role of Au in graphene growth on a Ni surface. ACS Catal., 4, 892-902, 2014. Y. C. Huang*, C. Y. Ling, Z. Fang*, S. F. Wang. Width- and edge-dependent magnetic properties, electronic structures, and stability of SnSe2 nanoribbons. Physica E, 59, 102-106, 2014. Y. C. Huang*, C. Y. Ling, H. Liu, S. F. Wang. Edge-, width- and strain-dependent semiconductor-metal transition in SnSe nanoribbons. RSC Adv., 4, 6933-6938, 2014. Y. C. Huang*, C. Y. Ling, M. Jin, J. Y. Du, T. Zhou, S. F. Wang*. Water adsorption and dissociation on Ni surface: Effects of steps, dopants, coverage and self-aggregation. Phys. Chem. Chem. Phys., 15, 17804-17817, 2013. Y. C. Huang, H. Xiang, Z. X. Chen*. Density Functional Study of Methanol Decomposition on Clean and O or OH Adsorbed PdZn(111). J. Chem. Phys., 138, 184701, 2013. Y. C. Huang*, J. Y. Du, C. Y. Ling, T. Zhou, S. F. Wang*. Methane dehydrogenation on Au/Ni surface alloys –a first principles study. Catal. Sci. Technol., 3, 1343-1354, 2013. Y. C. Huang*, J. Y. Du, T. Zhou, and S. F Wang*. First-principles Study toward CO Adsorption on Au/Ni Surface Alloys. ChemPhysChem, 13, 3909-3915, 2012. Y. C. Huang, Z. X. Chen*. First-Principles study of water dissociation on PdZn near surface alloys. J. Phys. Chem. C, 115, 18752-18760, 2011. Y. C. Huang, X. He, Z. X. Chen*. First principle study towards methanol steam reforming on Pd(111) with low Zn deposition. J. Chem. Phys., 134, 184702, 2011. Z. X. Chen*, Y. C. Huang, X. He. Theoretical study of the mechanism of methanol steam reforming over Pd/ZnO. Progress in Chemistry. 24, 346-353, 2012. X. He, Y. C. Huang, Z. X. Chen*. Zinc coverage dependent structure of PdZn surface alloy. Phys. Chem. Chem. Phys., 13, 107-109, 2011. Y. C. Huang, W. P. Ding, Z. X. Chen. Effect of Zn on the adsorption of CO on Pd(111). J. Chem. Phys., 133, 214702, 2010. (Selected for the December 6, 2010 issue of Virtual Journal of Nanoscale Science & Technology) Y. C. Huang, Z. X. Chen. Density functional investigations of methanol dehydrogenation on Pd-Zn surface alloy. Langmuir, 26(13), 10796, 2010. Z. X. Chen, Y. C. Huang, Z. Li, G. J. Kang. Theoretical Chemistry and New Energy Sources. Progress in Chemistry, 21(11), 2271, 2009.

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