86. Yu, X.-Y.; Su, X.; Xi, M-J.; Huang, Z.-Q.; Chang, C.-R.* Natural Surface Frustrated Lewis Pairs: The Concept and Beyond. Chem Asian J. 2024, e2024001155. PDF
85. Liu, H.-X.; Huang, Z.-Q.; Gao X.; Yang, G.-D.; Chang, C.-R.* Simplification of solvation shell with water clusters in the simulation of electrochemical nitrogen reduction reaction. J. Chem. Phys. 2024, 161, 184706. PDF
84. Li, C.-M,; X.; Shen H.; Gao D,; Chang, C.-R.* Computational screening of Group VIII@C5N4 single-atom electrocatalysts for overall water
splitting. Molecular Catalysis. 2024, 569, 114619. PDF
83. Gao, X.; Shen H.; Chang, C.-R.* Chemolysis for Efficient and Sustainable Upcycling of Biodegradable Polyester Waste to Value-Added Products. ACS EST Engg. 2024, 4, 2329−2331. PDF
82. Yao, X.; Ji, Y.; Huang, Z.-Q.; Zhao, Z.; Gao, P.; Guo, M.; Liu, X.; Meng, C.; Fu, Q.; Chang, C.-R.*; Bao, X.; Hou, G.* Nondissociative Activated
Dihydrogen Binding on CeO2 Revealed by High-Pressure Operando Solid-State NMR Spectroscopy.
J. Am. Chem. Soc. 2024, 146, 24609-24618. PDF
81. Zhang, H.-X.; Su, X.; Yu, X.-Y.; Huang, Z.-Q.; Yang, B.; Chang, C.-R.* Theoretical insights into the size effect of α-Fe2O3 oxygen carrier on chemical looping reforming of methane. Chem. Eng. Sci. 2024, 299, 120511. PDF
80. Luo, D.-C.; Chang, C.-R.; Hu, Z.* One-Step Encapsulation of TBAB in ZIF‑8 for CO2 Fixation: Revealing the Synergistic Mechanism between TBAB and ZIF‑8. ACS Catal. 2024, 14, 11101-11112. PDF
79. Huang, Z.-Q.; Su, X.; Yu, X.-Y.; Ban, T.; Gao, X.; Chang, C.-R.* Theoretical Perspective on the Design of Surface Frustrated Lewis Pairs for Small-Molecule Activation. J. Phys. Chem. Lett. 2024, 15, 5436–5444. PDF
78. Yu, X.-Y.; Huang, Z.-Q.; Ban, T.; Xu, Y.-H.; Liu Z.-W.*; Chang, C.-R.* Finding Natural, Dense, and Stable Frustrated Lewis Pairs on Wurtzite Crystal Surfaces for Small-Molecule Activation. Angew. Chem. Int. Ed. 2024, 64, e202405405. PDF
77. Xu, W.; Liu, H.-X.; Hu Y.; Wang, Z.; Huang, Z.-Q.; Huang, C.*; Lin, J.; Chang, C.-R.*; Wang, A.; Wang, X.*; Zhang, T. Metal-Oxo Electronic Tuning via In Situ CO Decoration for Promoting Methane Conversion to Oxygenates over Single-Atom Catalysts. Angew. Chem. Int. Ed. 2024, 63, e202315343. PDF
76. Hou, X.-K.; Zhang, H.-X.; Wang Y.-B.; Zhang, J.-P.; Gao, X.; Chen, L.*; Li, C.; Jing, M.-H.; He, Chi.; Lu, Q.; Chang, C.-R.* The fabrication of Mn single atoms/clusters on Al2O3 for enhanced catalytic NO oxidation. Fuel. 2024, 367, 131502. PDF
75. Zhang, H.-X.; Yu, X.-Y.; Su, X.; Gao, X.; Huang, Z.-Q.; Yang, B.; Chang, C.-R.* Dopant-Enhanced harmonization of α-Fe2O3 oxygen migration and surface catalytic reactions during chemical looping reforming of methane. Chem. Eng. J. 2024, 481, 148446. PDF
74. Luo, D.-C.; Zhang, Z.-Y.; Yuan H.; Yu, X.-Y.; Gao, X.; Hu, Z.;* Chang, C.-R.* Ionic liquids bonded in mesoporous HAP serve as efficient catalysts for CO2 fixation. Chem. Eng. J. 2024, 481, 148129. PDF
73. Su, X.; Gao, X.; Yu, X.-Y.; Huang, Z.-Q.;* Chang, C.-R. Design of Cu-based bimetals for ammonia catalytic combustion via DFT-based microkinetic modeling. J. Catal. 2024, 429, 115264. PDF
72. Ban, T.; Yu, X.-Y.; Tian, H.-K.; Huang, Z.-Q.; Chang, C.-R.* One-step conversion of methane and formaldehyde to ethanol over SA-FLP dual-active-site catalysts: A DFT study. Chin. Chem. Lett. 2024, 35, 108549. PDF
71. Yu, X.-Y.; Ban, T.; Su, X.; Huang, Z.-Q.; Chang, C.-R.* Understanding the Facile Heterolytic Dissociation of Hydrogen on Natural Surface Frustrated Lewis Pairs. J. Phys. Chem. C 2023,127, 15139-15147. PDF
70. Yang, D.-Y.; Wang, H.-L.; Liu, C.; Chang, C.-R.* Palladium single-atom catalyst supported on ceria for α-alkylation of ketones with primary alcohols. Catal. Sci. Technol. 2023,13, 3174-3181. PDF
69. Zhang, H.-X.; Huang, Z.-Q.;* Ban, T.; Su, X.; Yang, B.-L.; Chang, C.-R. DFT Studies of CO Reaction Behaviors on α-Fe2O3(001) Oxygen-Vacancy Surface in Chemical Looping Reforming. Chin. J. Chem. Phys. 2023. PDF
68. Liu, L.-P.; Qiu, M.; Liu, S.-Y.; Ma, H.-X.; Huang, Z.-Q.;* Chang, C.-R. Design of Frustrated Lewis Pairs by Functionalizing N-Doped Graphene Edge with Tunable Activity for H2 Dissociation. J. Phys. Chem. C 2023, 127, 6714-6722. PDF
67. Gao, X.; Chang, C.-R.* Preparing Fuel-Range Chemicals via the Direct and Selective Pyrolysis of Disposable Mask Waste for Sustainable Environment. Catalysts. 2023, 13, 743. PDF
66. Huang, Z.-Q.#; He, S.-Y.#(共同一作); Ban, T.; Gao, X.; Xu, Y.-H.; Chang, C.-R.* Mechanistic and microkinetic study of nonoxidative coupling of methane on Pt-Cu alloy catalysts: From single-atom sites to single-cluster sites. Chinese. J. Catal. 2023, 48, 90-100. PDF
65. Ban, T.; Yu, X.-Y.; Kang, H.-Z.; Huang, Z.-Q.; Li, J.; Chang, C.-R.* Design of SA-FLP Dual Active Sites for Nonoxidative Coupling of Methane. ACS Catal. 2023, 13, 2, 1299–1309. PDF
64. Yang, D.-Y.; Wang, H.-L.; Chang, C.-R.* Recent Advances for Alkylation of Ketones and Secondary Alcohols Using Alcohols in Homogeneous Catalysis. Adv. Synth. Catal. 2022, 364, 3100-3121. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63. Zhang, H.-X.;Huang, Z.-Q.; Yang, B.-L.; Chang, C.-R.* Theoretical insights into the oxygen supply performance of α-Fe2O3 in the chemical-looping reforming of methane. Chem. Eng. Sci. 2022, 262, 118041. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62.杨东元,黄肖杰,耿景龙,党舒轩,代成义,常春然.酸碱联合处理稀土改性的硼-β分子筛用于乙醇一步转化制丁二烯[J].陕西师范大学学报(自然科学版),2022,50( 02):112-120+2.PDF
61.Ban, T.; Yu, X.-Y.; Kang, H.-Z.; Zhang, H.-X.; Gao, X.; Huang, Z.-Q.; Chang, C.-R.* Design of Single-Atom and Frustrated-Lewis-Pair dual active sites for direct conversion of CH4 and CO2 to acetic acid. J. Catal. 2022, 408, 206-215. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60.Dang, S.-X.; Liu, H.-X.; Ban, T.; Gao, X.; Huang, Z.-Q.; Yang, D.-Y.; Chang, C.-R.* Reaction Mechanism of One-step Conversion of Ethanol to 1,3-Butadiene over Zn-Y/BEA and Superior Catalysts Screening. Chin. J. Chem. Phys. 2022, 35, 4. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59.Gao, X.; Yu, X.-Y.; Chang, C.-R.* Perceptions on the treatment of apparent isotope effects during the analyses of reaction rate and mechanism. Phys. Chem. Chem. Phys. 2022, 24, 15182-15194. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58.Gao, X.*; Chang, C.-R.* Characterizing the sequential effects toward the impregnations of supported bimetallic catalysts. Molecular Catalysis 2022, 527. 112411. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57. Yang, Q.; Liu, H.-X.; Yuan, P.*; Jia, Y.; Zhuang, L.-Z.; Chang, C.-R.*; Yao, X.-D.* Single Carbon Vacancy Traps Atomic Platinum for Hydrogen Evolution Catalysis. J. Am. Chem. Soc. 2022, 144, 2171-2178. PDF
56. Liu, H.-X.; Ban, T.; Yu, X.-Y.; Huang, Z.-Q.; Chang, C.-R.*; Silica-Confined Two-Atom Single-Cluster Catalyst for Direct Nonoxidative Conversion of Methane: A DFT Study. J. Phys. Chem. C. 2021, 125, 42, 23212–23218. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55. Huang, Z.-Q.; Chen, Y.-T.; Chang, C.-R.*; Li, J. Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane. ACS Catal. 2021, 11, 13149-13159. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54. Liao, W.-R.; Liu, H.-X.; Qi, L.; Liang, S.-J.*; Luo, Y.; Liu, F.-J.; Wang, X.-Y.; Chang, C.-R.*; Zhang, J.; Jiang, L.-L.*. Lithium/bismuth co-functionalized phosphotungstic acid catalyst for promoting dinitrogen electroreduction with high Faradaic efficiency. Cell. Rep. Phys. Sci. 2021, 2, 100557. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53. Peng, X.-B#.; Liu, H.-X.#(共同一作); Zhang, Y.-Y.#; Huang, Z.-Q.; Yang, L.-L.; Jiang, Y.-F.; Wang, X.-Y.*; Zheng, L.-R.; Chang, C.-R.; Au, C.-T.; Jiang, L.-L.*; Li, J. Highly efficient ammonia synthesis at low temperature over a Ru–Co catalyst with dual atomically dispersed active centers. Chem. Sci. 2021, doi.org/10.1039/D1SC00304F
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52. He, S.-Y.; Li, T.-H.; Huang, Z.-Q.; Liu, Y.; Li, J.; Chang, C.-R.*. Screening silica-confined single-atom catalysts for nonoxidative conversion of methane. J. Chem. Phys. 2021, 154, 174706. (SCI, IF: 2.991) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51. Liu, C.; Kang, J.-C.; Huang, Z.-Q.; Song, Y.-H.; Xiao, Y.-S.; Song, J.; He, J.-X.; Chang, C.-R.*; Ge, H.-Q.; Wang, Y.*; Liu, Z.-T.; Liu, Z.-W.*. Gallium nitride catalyzed the direct hydrogenation of carbon dioxide to dimethyl ether as primary product. Nat Commun. 2021, 12:2305. (SCI, IF: 12.121) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50. Huang, Z.-W.; Ban, T.(共同一作); 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. Appl. Catal. B: Environ. 2021, 283, 119625. (SCI, IF: 16.683) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49. 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. (SCI, IF: 1.379) PDF
48. Liu, Y.; Liu, J.-C.; Li, T.-H.; Duan, Z.-H.; Zhang, T.-Y.; Yan, M.; Li, W.-L.; Xiao, H.; Wang, Y.-G.; Chang, C.-R. *; Li, J. *. Unravelling the Enigma of Nonoxidative Conversion of Methane on Iron Single‐Atom Catalysts. Angew. Chem. Int. Ed. 2020, 59,18586–18590 (SCI, IF: 12.959) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47. Li,T.-H.; Yan, M.; Liu, Y.; Chang, C-R.*; Li, J. Cooperative catalysis by multiple active centers in nonoxidative conversion of methane. J. Phys. Chem. C 2020, 124, 25, 13656–13663 (SCI, IF: 4.309) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46. Huang, Z.-Q.; Li, T.-H.; Yang, B.; Chang C.-R.*. Role of surface frustrated Lewis pairs on reduced CeO2(110) in direct conversion of syngas. Chin. J. Catal. 2020, 41, 1906-1915. (SCI, IF: 4.91) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45. Xiong, Y.; Dong, J.; Huang, Z.-Q.(共同一作); Xin, P.; Chen, W.; Wang, Y.; Li, Z.; Jin, Z.; Xing, W.; Zhuang, Z.; Ye, J.; Wei, X.; Cao, R.; Gu, L.; Sun, S.; Zhuang, L.; Chen, X.; Yang, H.; Chen, C.; Peng, Q.; Chang, C-R.; Wang, D.*; Li, Y.*. Single-atom Rh/N-doped carbon electrocatalyst for formic acid oxidation. Nat. Nanotechnol. 2020, 15, 390-397. (SCI, IF: 33.407) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44. Wang, B.; Chen, Y.-T.(共同一作); Chang, T.-Y.; Jiang, Z.; Huanga, Z.-Q.; Wanga, S.-Y.; Chang, C.-R.*; Chen,Y.-S.; Wei,J.-J.; Yang, S.; Fang,T.*.Facet-dependent catalytic activities of Pd/rGO: Exploring dehydrogenation mechanism of dodecahydro-N-ethylcarbazole. Appl. Catal. B.: Environ. 2020, 266, 18658. (SCI, IF: 14.229) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43. Zhao, S.; Liu,H.-X.(共同一作); Qiu, Y.; Liu, S.-Q.; Diao, J.-X.; Chang, C.-R.*; Si, R.; Guo, X.-H.*.An oxygen vacancy-rich two-dimensional Au/TiO2 hybrid for synergistically enhanced electrochemical N2 activation and reduction. J. Mater. Chem. A. 2020, 8, 6586-6596. (SCI, IF: 10.420) PDF
42. Li, J.-Y.; Liu, H.-X.(共同一作); Gou,W.-Y.; Zhang, M.-K.; Xia, Z.-M.; Zhang, S.; Chang, C.-R.*; Ma, Y.-Y*. and Qu, Y.-Q.*.Ethylene-glycol ligand environment facilitates highly efficient hydrogen evolution of Pt/CoP through proton concentrating and hydrogen spillover. Energy Environ. Sci. 2019, 12, 2298-2304. (SCI, IF: 30.067) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41. Huang, Z.-Q.;Zhang, T.; Chang, C.-R.*; Li, J.. Dynamic frustrated lewis pairs on ceria for direct nonoxidative coupling of methane. ACS Catal. 2019, 9,5523–5536. (SCI, IF: 11.384) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40. Zhang, S.; Huang, Z.-Q.(共同一作); Chen, X.; Gan, J.; Duan, X.-Z.; Yang, B.-L.; Chang,C.-R.*; Qu, Y.-Q.*. Hydrogen activation enabled by the interfacial frustrated Lewis pairs on cobalt borate nanosheets. J. Catal. 2019, 372,142–150. (SCI, IF: 6.759) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39. Yao, Y.-C.; Hu, S.-L.; Chen, W.-X.; Huang, Z.-Q.; Wei, W.C.; Yao,T.; Liu, R.-R.; Zang, K.-T.; Wang, X.-Q.; Wu, G.; Yuan, W.-J.; Yuan, T.-W.; Zhu, B.-Q.; Liu, W.; Li, Z.-J.; He, D.-S.; Xue, Z.-G.; Wang, Y.; Zheng, X.-S.; Dong, J.-C.; Chang,C.-R.; Chen, Y.-X.; Hong, X.; Luo, J.; Wei,S.-Q.; Li, W.-X.*; Strasser, P.; Wu, Y.-E.*; & Li, Y.-D..Engineering the electronic structure of single atom Ru sites via compressive strain boosts acidic water oxidation electrocatalysis. Nat. Catal. 2019,2, 304-313. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38. Ruan, C.-Y.; Huang, Z.-Q.(共同一作); Lin, J.; Li, L.; Liu, X.-Y.; Tian, M.; Huang, C.-D.; Chang,C.-R.*; Li, J.; Wang, X.-D.*. Synergy of the catalytic activation on Ni and the CeO2–TiO2/Ce2Ti2O7 stoichiometric redox cycle for dramatically enhanced solar fuel production. Energy Environ. Sci. 2019,12, 767-779 . (SCI, IF: 30.067) PDF
37. 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. Chem. Phys. 2018, 507, 19-27. (SCI, IF: 1.771) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36. 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. Commun. Chem. 2018, 1, 55. (Nature系列刊物) PDF
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35. 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. (SCI, IF: 40.182) PDF
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34. 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. (SCI, IF: 11.384) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33. Ahmad, K.; Chang, C.-R.*; Li, J.*. Mechanistic investigations of Co(II)-Catalyzed C-N coupling reactions. J. Organomet. Chem. 2018, 868, 144-153. (SCI, IF: 2.184) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32. Ahmad, K.; Chang, C.-R.*; Li, J.*. Theoretical studies on copper-catalyzed arylation of nitrogen heterocycles from benzenediazonium acetate under ligand-free conditions. J. Organomet. Chem. 2018, 864, 50-57. (SCI, IF: 2.184) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31. 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. (SCI, IF: 11.384) PDF
30. 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.
29. Gao, W.; Yan, M.(共同一作)； 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, 290-296.
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28. Zhang, S.; Huang Z.-Q.(共同一作); 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. Nat Commun. 2017, 8, 15266.
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27. Zhang, J.; Chang, C.-R.(共同一作); Yang, B.; Cao, N.; Peng, C.; Zhang, H.; Tang, D.; Glorius, F.; Erker, G.; Fuchs, H.; Li, Q.*; Chi, L.* Step-Edge Assisted Direct Linear Alkane Coupling. Chem. Eur. J. 2017, 23, 6185-6189.
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26. Yan, M.; Huang, Z.-Q.; Zhang, Y.; Chang, C.-R.* Trends in water-promoted oxygen dissociation on the transition metal surfaces from first principles. Phys. Chem. Chem. Phys. 2017, 19, 2364-2371. (SCI, IF: 4.45) PDF
25. 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. (SCI, IF: 11.38) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24. 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. (SCI, IF:11.88) inside cover PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23. 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. (SCI, IF: 9.312) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22. 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. (SCI, IF: 12.11) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21. 常春然; 赵亚帆; 龙波; 黄正清; 李隽*. 水在化学反应中的(助)催化作用研究进展. 中国科学：化学，2016, 46, 1-11. PDF
20. 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. (SCI, IF: 9.312) PDF
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19. Chang, C.-R.*; Huang, Z.-Q.; Li, J.* Hydrogenation of Molecular Oxygen to Hydroperoxyl: An Alternative Pathway for O2 Activation on Nanogold Catalysts. Nano Res. 2015, 8, 3737-3748. (SCI, IF: 7.010) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18. Chang, C.-R.; Long, B.; Yang, X. F.; Li, J.* Theoretical Studies on the Synergetic Effects of Au-Pd Bimetallic Catalysts in the Selective Oxidation of Methanol. J. Phys. Chem. C 2015, 119, 16072-16081. (SCI, IF: 4.772) PDF
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17. Huang, Z.-Q.; Long, B.; Chang, C.-R.* A Theoretical Study on the Catalytic Role of Water in Methanol Steam Reforming on PdZn(111). Catal. Sci. Technol., 2015, 5, 2935-2944. (SCI, IF: 5.426) PDF
16. 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. (ESI高被引论文) (IF: 11.47) PDF
15. 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. (SCI, IF: 9.312 ) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14. Long, B.; Chang, C.-R.; Long, Z. W.; Wang, Y. B.; Tan, X. F.; Zhang, W. J. Nitric Acid Catalyzed Hydrolysis of SO3 in the Formation of Sulfuric Acid: A Theoretical Study. Chem. Phys. Lett. 2013, 581, 26-29. (SCI, IF: 1.897) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13. Long, B.; Tan, X. F.; Chang, C.-R.; Zhao, W. X.; Long, Z. W.; Ren, D. S.; Zhang, W. J. Theoretical Studies on Gas-Phase Reactions of Sulfuric Acid Catalyzed Hydrolysis of Formaldehyde and Formaldehyde with Sulfuric Acid and H2SO4···H2O Complex. J. Phys. Chem. A. 2013, 117, 5106-5116. (SCI, IF: 2.693) PDF
12. Chang, C.-R.; Zhao, Z.-J.; Köhler, K.; Genest, A.; Li, J.; Rösch, N.* Theoretical Study on the Leaching of Palladium in a CO Atmosphere. Catal. Sci. Technol. 2012, 2, 2238-2248. (RSC Hot Paper) (SCI, IF: 5.426) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11. Chang, C.-R.; Wang Y.-G.; Li J.* Theoretical Investigations of the Catalytic Role of Water in Propene Epoxidation on Gold Nanoclusters: A Hydroperoxyl-mediated Pathway. Nano Res. 2011, 4, 131-142. (SCI, IF: 7.010) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10. Xu, K.-Z.; Zuo, X.-G.; Song, J.-R.; Wang, F.; Huang, J.; Chang, C.-R. Preparation, Crystal Structure and Thermal Behavior of K(FOX-7).H2O. Chemical Journal of Chinese Universities-Chinese. 2010, 31, 638-643. (SCI, IF: 0.799, in Chinese) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9. Xu, K.; Wang, F.; Ren, Y.; Li, W.; Zhao, F.; Chang, C.-R.; Song, J. Structural Characterization and Thermal Behavior of 1-Amino-1-methylamino-2,2-dinitroethylene. Chin. J. Chem. 2010, 28, 583-588. PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8. Xu, K. Z.; Zhao, F. Q.; Song, J. R.; Chang, C.-R.; Li, M.; Wang, Y. Y.; Hu, R. Z. Non-isothermal Decomposition Kinetics, Specific Heat Capacity and Adiabatic Time-to-Explosion of 1-Amino-1-Hydrazino- 2,2-Dinitroethene (AHDNE)” Chin. J. Chem. 2009, 27, 665-671. (SCI, IF: 1.578) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7. Chang, C.-R.; Xu, K. Z.; Huang, J.; Li, M.; Song, J. R. Ma, H. X.; Zhao, F. Q. Molecular Structure, Theoretical Calculation and Thermal Behavior of DAG(NTO). Chin. J. Chem. 2008, 26, 1549-1554. (SCI, IF: 1.578) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6. Chang, C.-R.; Xu, K. Z; Song, J. R.; Yan, B.; Ma, H. X.; Gao. H. X.; Zhao, F. Q. Preparation, Crystal Structure and Theoretical Calculation of 1-amino-1-hydrazino-2,2-dinitroethene. Acta Chimica Sinica, 2008, 66, 1399-1404. (SCI, IF: 1.426, in Chinese) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5. Xu, K. Z.; Chang, C.-R.; Song, J. R; Zhao, F. Q.; Ma, H. X.; Lv, X. Q.; Hu, R. Z. Preparation, Crystal Structure and Theoretical Calculation of G(FOX-7)”, Chin. J. Chem. 2008, 26, 495-499. (SCI, IF: 1.578) PDF
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4. Xu, K. Z.; Song, J. R.; Yang, X.; Chang, C.-R.; Yang, X. K.; Ma, H. X.; Huang, J. Zhao, F. Q. Molecular Structure, Theoretical Calculation and Thermal Behavior of 2-(1,1-denitromethylene)-1,3-diazepentane. J. Mol. Struct. 2008, 891, 340-345. (SCI, IF: 1.602) PDF
------------------------------------------------------------------------------------------------------------------------------------
3. Xu, K. Z.; Song, J. R.; Zhao, F. Q.; Ma, H. X.; Gao, H. X.; Chang, C.-R.; Ren, Y. H.; Hu, R. Z. Thermal Behavior, Specific Heat Capacity and Adiabatic Time-to-Explosion of G(FOX-7). J. Hazard. Mater. 2008, 158, 333-339. (SCI, IF: 4.529) PDF
------------------------------------------------------------------------------------------------------------------------------------
2. Gao, H. X.; Zhao, F. Q.; Hu, R. Z.; Xu, K. Z.; Zhang, H.; Wang, P.; Du, Z.-M.; Xu, S.-Y.; Yi, J.-H.; Ma, H.-X.; Chang, C.-R.; Song, J.-R. Specific Heat Capacity, Thermodynamic Properties, Adiabatic Time-To-Explosion and Thermal Sensitivity Probability Density Distribution of 3,4-Dinitrofurazanfuroxan (DNTF). Chemical Journal of Chinese Universities-Chinese. 2008, 29, 981-986. (SCI, IF: 0.799, in Chinese) PDF
------------------------------------------------------------------------------------------------------------------------------------
1. Xu, K. Z.; Chang, C.-R.; Song, J. R.; Gao, H. X.; Li, M.; Ma. H. X.; Zhao. F. Q.; Hu, R. Z.; Specific Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-Explosion of RDX. Chinese Journal of Explosives & Propellants. 2008, 31, 35. (EI, in Chinese) PDF
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