Tian, H.-K.; Ban, T.; Su, X.; Luo, D.-C.; Xiong, L.; Zhang, M.; Wang, F.-Z.; Huang, Z.-Q.*; Chang, C.-R.*, Identification of Double-Chain Zn₈O₈ Structure on ZrO₂ as a Highly Active Site for CO₂ Hydrogenation to Methanol, J. Phys. Chem. Lett., 2025, 16, 9444-9452.

Xi, M.-J.; Yu, X.-Y.; Su, X.; Xiong, L.; Ning, X.; Gao, P.; Huang, Z.-Q.*; Chang, C.-R.*, Uncovering the Crucial Role of Oxygen Vacancy in Altering Activity and Selectivity of CO₂ Hydrogenation on ZnGa₂O₄ Spinel Surfaces, ACS Catal., 2025, 15, 4185-4197.

Su, X.; Huang, Z.-Q.*; Chang, C.-R.*, Self-adaptive copper pairs on CuO(111) boosting ammonia catalytic combustion, AIChE J, 2025, 71, e18864.

Ma, R.; Zhang, J.; Gong, J.; Lin, Y.; Zhang, J.; Huang, Z.-Q.*; Chang, C.-R.; Liu, S.; Zhu, W.; Wang, Y.; Zeng, K.; Tao, Y.; Hu, J.; Zhang, Z.; Liang, X.; Han, Y.; Mao, J.; Zhuang, Z.; Yan, J.; Wang, D.*; Xiong, Y.*, The Cooperative Effects of the Rh-M Dual-Metal Atomic Pairs in Formic Acid Oxidation, Angew. Chem. Int. Ed., 2025, 64, e202503095.

Zhang, H.-X.; Huang, Z.-Q.*; Ban, T.; Su, X.; Yang, B.; Chang, C.-R., DFT Studies of CO Reaction Behaviors on α-Fe₂O₃(001) Oxygen-Vacancy Surface in Chemical Looping Reforming, Chin. J. Chem. Phys., 2024, 37, 116-124.

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.

Su, X.; Gao, X.; Yu, X.-Y.; Chang, C.-R.; Huang, Z.-Q.*, Design of Cu-Based Bimetals for Ammonia Catalytic Combustion via DFT-Based Microkinetic Modeling, J. Catal., 2024, 429, 115264.

Liu, L.; Qiu, M.; Liu, S.; Ma, H.; 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.

Huang, Z.-Q.^#; He, S.-Y.^#; 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, Chin. J. Catal., 2023, 48, 90-100.

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.

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. Chinese J. Catal., 2020, 41, 1906-1915.

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: Highly efficient electrocatalysts for formic acid oxidation. Nat. Nanotechnol., 2020, 15, 390-397.

Ruan, C.^#; Huang, Z.-Q.^# (共同一作); Lin, J.; Li, L.; Liu, X.; Tian, M.; Huang, C.; Chang, C.-R.^*; Li, J.; Wang, X.^*, 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.

Zhang, S.^#; Huang, Z.-Q.^# (共同一作); Chen, X.; Gan, J.; Duan, X.; Yang, B.; Chang, C.-R.^*; Qu, Y.^*, Hydrogen activation enabled by the interfacial frustrated Lewis pairs on cobalt borate nanosheets. J. Catal.,2019, 372, 142-150.

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.

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.

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. 

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.