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1£®        Keju Sun*, ¡°Theoretical investigations on CO oxidation  reaction catalyzed by gold nanoparticles¡±, Chinese J. Catal. 2016, in press
2£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°Understanding of the activity difference between nano gold and bulk gold by relativistic effects¡±, J. Energ. Chem. 2015, 21, 485-489.
3£®        Hai-yan Su and Keju Sun*, ¡°DFT study of the stability of oxygen vacancy in cubic ABO3 perovskites¡±, J. Mater. Sci. 2015, 50, 1701-1709.
4£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°Structures and Stabilities of Gold Oxide Films on Gold Surfaces in O2 Atmosphere¡±, Surf. Sci. 2014, 628, 41-49.
5£®        Xiang-Kui Gu, Botao Qiao, Chuan-Qi Huang, Wu-Chen Ding, Keju Sun, Ensheng Zhan, Tao Zhang, Jingyue Liu and Wei-Xue Li ¡°Supported Single Pt1/Au1 Atoms for Methanol Steam Reforming¡±, ACS Catalysis, 2014, 4, 3886-3890.
6£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°A Study on the Mechanism for H2 dissociation on Au/TiO2 Catalysts¡±, J. Phys. Chem. C 2014, 118, 1611-1617.
7£®        Yong-Hui Zhao, Jinxun Liu, Hai-Yan Su, Keju Sun and Wei-Xue Li ¡°A first-principles study of C=O bond scission in multi-atomic molecules on flat and stepped metal surfaces¡±, ChemCatChem. 2014, 6, 1755-1762.
8£®        Keju Sun*, Hai-Yan Su and Wei-Xue Li ¡°Stability of polar ZnO surfaces studied by pair potential method and local energy density method¡± Theor. Chem. Acc. 2014, 133, 1427.
9£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°Direct O2 Activation on Gold/Metal Oxide Catalysts through a Unique Double Linear O¨CAu¨CO Structure¡±, ChemCatChem, 2013, 5, 2217-2222
10£®        Xingyi Deng, Kun Yao, Keju Sun, Wei-Xue Li, Junseok Lee and Christopher Matranga ¡°Growth of Single- and Bilayer ZnO on Au(111) and Interaction with Copper¡±, J. Phys. Chem. C, 2013, 117, 11211-11218
11£®        Yasufumi Kuwauchi, Seiji Takeda, Hideto Yoshida, Keju Sun, Masatake Haruta, and Hideo Kohno ¡°Stepwise Displacement of Catalytically Active Gold Nanoparticles on Cerium Oxide¡±, Nano Lett. 2013, 13, 3073-3077
12£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°Theoretical Study of Atomic Oxygen on Gold Surface H¨¹ckel theory and DFT calculations¡±, J. Phys. Chem. A 2012, 116, 9568-9573
13£®        Qiang Guo, Keju Sun, Zhaochi Fan, Guanna Li, Meiling Guo, Fengtao Fan and Can Li ¡°A Thorough Investigation of the active Titanium Species in TS-1 Zeolite by In Situ UV Resonance Raman Spectroscopy¡± Chem. Eur. J. 2012, 18, 13854-13860.
14£®        Yong-Hui Zhao, Hai-Yan Su, Keju Sun, Jinxun Liu and Wei-Xue Li ¡°Structure and electronic properties of cobalt carbide Co2C and its surface stability: Density functional theory study¡± Surf. Sci. 2012, 606, 598-604.
15£®        Keju Sun*, Yonghui Zhao, Hai-Yan Su and Wei-Xue Li* ¡°Force reversed method for locating transition states¡± Theor. Chem. Acc. 2012, 131, 1118.
16£®        Xiufang Ma, Keju Sun and Wei-Xue Li ¡°Progress in studies of grapheme growth mechanism on transition-metal surfaces¡± Chin. Sci. Bull. 2012, 57, 987-994.
17£®        Hideto Yoshida, Yasufumi Kuwauchi, Joerg R. Jinschek, Keju Sun, Shingo Tanaka, Masanori Kohyama, Satoshi Shimada, Masatake Haruta and Seiji Takeda ¡°Visualizing gas molecules interacting with supported nanoparticulate catalysts at Reaction conditions¡± Science. 2012, 335, 317-319.
18£®        Keju Sun*, Masanori Kohyama, Shingo Tanaka and Seiji Takeda ¡°A theoretical study of CO adsorption on gold by H¨¹ckel theory and DFT calculations¡±, J. Comput. Chem. 2011, 32, 3276-3282
19£®        Yong-Hui Zhao, Keju Sun, Xiufang Ma, Jinxun Liu, Dapeng Sun, Hai-Yan Su, and Wei-Xue Li ¡°Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion¡± Angew. Chem. Int. Ed., 2011, 50, 5335-5338.
20£®        Yong-Hui Zhao, Ming-Mei Yang, Dapeng Sun, Hai-Yan Su, Keju Sun, Xiufang Ma, Xinhe Bao and Wei-Xue Li, ¡°Rh-Decorated Cu Alloy Catalyst for Improved C(2) Oxygenate Formation from Syngas¡±, J. Phys. Chem. C 2011, 115, 18247-18256.
21£®        Keju Sun, Wei-Xue Li, Zhaochi Feng and Can Li ¡°Resonance Raman Spectrum of Fe-AlPO4-5¡± Acta Phys. Chim. Sin., 2009, 25, 606-610.
22£®        Fengtao Fan, Keju Sun, Zhaochi Feng, Haian Xia, Bo Han, Yuxiang Lian, Pinliang Ying and Can Li ¡°From molecular fragments to crystals: A UV Raman spectroscopic study on Fe-ZSM-5 synthesis mechanism¡± Chem. Eur. J., 2009, 15, 3268-3276.
23£®        Fengtao Fan, Zhaochi Feng, Keju Sun, Meiling Guo, Qiang Guo, Yu Song, Weixue Li and Can Li ¡°In situ UV Raman Spectroscopic Study on the Synthesis Mechanism of AlPO-5¡± Angew. Chem. Int. Ed., 2009, 48, 8743-8747.
24£®        Keju Sun, Wei-Xue Li, Zhaochi Feng and Can Li ¡°Cooperative activation in ring-opening hydrolysis of epoxides by Co-salen complexes: A first principle study¡± Chem. Phys. Lett., 2009, 470, 259-263.
25£®        Rui Yu, Tong Ren, Keju Sun, Zhaochi Feng, Guanna Li and Can Li ¡°Shape Controlled Copper Selenide Nanocubes Synthesized by an Electrochemical Crystallization Method¡± J. Phys. Chem. C. 2009, 113, 10833-10837.
26£®        Fengtao Fan, Qian Xu, Haian Xia, Keju Sun, Zhaochi Feng and Can Li, ¡°UV Raman Spectroscopic Characterization of Catalytic Materials¡± Chin. J Catal., 2009, 30, 718-739.
27£®        Keju Sun, Weiguang Su, Fengtao Fan, Zhaochi Feng, Tonek A. P. J. Jansen, Rutger A. van Santen and Can Li ¡°Location of Mg Cations in Mordenite Zeolite Studied by IR Spectroscopy and Density Functional Theory Simulations with a CO Adsorption Probe¡± J. Phys. Chem. A, 2008, 112, 1352-1358.
28£®        Haian Xia, Keqiang Sun, Keju Sun, Zhaochi Feng, Wei-Xue Li and Can Li ¡°Direct Spectroscopic Observation of Fe(III)−Phenolate Complex Formed From the Reaction of Benzene With Peroxide Species on Fe/ZSM-5 At Room Temperature¡± J. Phys. Chem. C, 2008, 112, 9001-9005.
29£®        Fengtao Fan, Zhaochi Feng, Guanna Li, Keju Sun, Pingliang Ying and Can Li ¡°In situ UV Raman Spectroscopic Studies on the Synthesis Mechanism of Zeolite X¡± Chem. Eur. J., 2008, 14, 5125-5129.
30£®        Keju Sun, Fengtao Fan, Haian Xia, Zhaochi Feng, Wei-Xue Li and Can Li ¡°Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations¡± J. Phys. Chem. C, 2008, 112, 16036-16041.
31£®        Haian Xia, Keqiang Sun, Fengtao Fan, Keju Sun, Weiguang Su, Zhaochi Feng, Pinliang Ying and Can Li ¡°Effect of extra-framework gallium on the structure of iron species in Fe/ZSM-5¡± J. Catal., 2008, 259, 269-275


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