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17. Huang, Z.-W.; Ban, T.; Zhang, Y.; Wang, L.-P.; Guo, S.-F.; Chang, C.-R.*; Jing, G.-H.*. Boosting the thermal stability and catalytic performance by confining Ag single atom sites over antimony-doped tin oxide via atom trapping. Applied Catalysis B: Enviromental, 2021, 283, 119625.

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16. Liu, Y.; Duan, Z.-H.; Li, J.; Chang, C.-R.*. Gas-Phase Mechanism Study of Methane Nonoxidative Conversion by ReaxFF Method. Acta Phys. -Chim. Sin. 2021, 37(11), 2011012.

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15. Zhang, Y.-Y.; Wang, M.-J.; Chang, C.-R.; Xu, K.-Z.*; Ma, H.-X.; Zhao, F.-Q. A DFT study on the enthalpies of thermite reactions and enthalpies of formation of metal composite oxide. Chemical Physics, 2018, 507, 19-27.

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14. Huang, C.-D.; Wu, J.; Chen,Y.-T.; Tian, M.; Rykov, A.I,; Hou,B.-L.; Lin, J.*; Chang, C.-R.*; Pan, X.-L.; Wang, J.-H.; Wang, A.-Q. & Wang, X.-D.*. In situ encapsulation of iron(0) for solar thermochemical syngas production over iron-based perovskite material. Communications Chemistry. 2018, 1, 55.

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13. Ma, Y.-Y.; , Zhang, S.; Chang, C.-R.; Huang, Z.-Q.;, Ho, J.C.  and Qu, Y.-Q.*, Semi-solid and solid frustrated Lewis pair catalysts. Chem. Soc. Rev. 2018, 47, 5541-5553.

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12. Zhang, W.; Zhang, X.; Chen, L.; Dai, J.-Y.; Ding, Y.; Ji, L.-F.; Zhao, J.;  Yan, M.; Yang, F.-C.*; Chang, C.-R.*, and  Guo, S.-J., Single-Walled Carbon Nanotube Induced Optimized Electron Polarization of Rhodium Nanocrystals To Develop an Interface Catalyst for Highly Efficient Electrocatalysis. ACS Catal. 2018, 8, 8092−8099.

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11. Huang, Z.-Q.; Liu, L.-P.; Qi, S.; Zhang, S.; Qu, Y.; Chang, C.-R.*. Understanding All-Solid Frustrated-Lewis-Pair Sites on CeO2 from Theoretical Perspectives. ACS Catal. 2018, 8, 546-554.

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10. Wang, J.; Huang, Z.-Q.; Liu, W.; Chang, C.-R.*; Tang, H.; Li, Z.; Chen, W.; Jia, C.; Yao, T.; Wei, S.; Wu, Y.*; Li, Y.Design of N-Coordinated Dual-Metal Sites: A Stable and Active Pt-Free Catalyst for Acidic Oxygen Reduction Reaction. J. Am. Chem. Soc. 2017,139, 17281-17284. 

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9. Gao, W.; Yan, M.(co-first author); Cheung, H.-Y.; Xia, Z.; Zhou, X.; Qin, Y.;Wong, C.-Y.; Ho, J. C.*; Chang, C.-R.*; Qu. Y.* Modulating Electronic Structure of CoP Electrocatalysts towards Enhanced Hydrogen Evolution by Ce Chemical Doping in both Acidic and Basic Media. Nano Energy, 2017, 38, 290.

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8. Zhang, S.; Huang, Z.-Q.; Ma, Y.; Gao, W.; Li, J.; Cao, F.; Li, L.; Chang, C.-R.*; Qu, Y.* Solid Frustrated-Lewis-pair Catalysts Constructed by Regulations on Surface Defects of Porous Nanorods of CeO2. Nature Commun. 2017. 8, 15266.

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7. Li, J.; Yan, M.; Zhou, X.; Huang, Z.-Q.; Xia, Z.; Chang, C.-R.*; Ma, Y.*; Qu, Y.* Mechanistic Insights on Ternary Ni2−xCoxP for Hydrogen Evolution and Their Hybrids with Graphene as Highly Efficient and Robust Catalysts for Overall Water Splitting. Adv. Funct. Mater., 2016, 26, 6785-6796.

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6. Chang, C.-R.; Huang, Z.-Q.; Li, J.* The Promotional Role of Water in Heterogeneous Catalysis: Mechanism Insights from Computational Modeling. WIREs Comput. Mol. Sci., 2016, 6, 679-693. 

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5. Liu, J.-C.; Tang, Y.; Chang, C.-R.*; Wang, Y.-G.*; Li J.* Mechanistic Insights into Propene Epoxidation with O2-H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations. ACS Catal. 2016, 6, 2525-2535.

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4. Zhang, S.; Chang, C.-R.; Huang, Z.-Q.; Li, J.; Wu, Z.; Ma, Y.; Zhang, Z.; Wang, Y.; Qu, Y.* High Catalytic Activity and Chemoselectivity of Sub-nanometric Pd Clusters on Porous Nanorods of CeO2 for Hydrogenation of Nitroarenes. J. Am. Chem. Soc. 2016, 138, 2629-2637.

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3. Zhang, S.; Chang, C.-R.; Huang, Z.; Ma Y.; Gao, W.; Li, J.; Qu, Y.* Visible-Light-Activated Suzuki-Miyaura

Coupling Reactions of Aryl Chlorides over the Multifunctional Pd/Au/Porous Nanorods of CeO2. ACS Catal. 2015, 5, 6481-6488.

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2. Duan, H; Yan, N.; Yu, R.; Chang, C.-R.; Zhou, G.; Hu, H.-S.; Rong, H.; Niu, Z.; Mao, J.; Asakura, H.;

Tanaka, T.; Dyson, P. J.; Li, J.*; Li, Y.* Ultrathin Rhodium Nanosheets. Nat. Commun. 2014, 5, 3093.

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1. Chang, C.-R.; Yang, X. F.; Long, B.; Li, J.* A Water-Promoted Mechanism of Alcohol Oxidation on a Au(111) Surface: Understanding the Catalytic Behavior of Bulk Gold. ACS Catal. 2013, 3, 1693-1699.

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