2026

(1) Li, R.; Li, Y.-K.^*; Xu, J.; Hou, G.-L.^* Catalytic Ammonia Synthesis from N₂ and H₂ over Fullerene-Supported Rh_nCo_4–n (n = 0–4) Clusters: A Theoretical Study. J. Phys. Chem. Lett. 2026, 17 (7), 2085-2093.

(2) Hui, R.-Z.; Li, Y.-K.^*; Hou, G.-L.; He, S.-G. Effects of Pyridine Ligands on the Structure and Reactivity of Cu₃O⁺ Clusters toward CO₂. J. Phys. Chem. A 2026, 130 (26), 4958-4965.

2025

(1) Zhao, Y.; Liu, X.; Wang, Z.; Huang, J.; Huang, J.; Deng, X.; Zhang, X.; Zhang, H.; Yu, H.; Li, Y.-K.; Hou, G.-L., and He, G.^* Proton-Resistant N-Heterocycle-Linked TEMPO Catholytes for Long-Lasting Neutral Aqueous Organic Redox Flow Batteries. Angew. Chem. Int. Ed. 2025, e202512613.

(2) Yang, S.; Li, Y.-K.; Ji, C.; Ferrari, P.; Yang, S.; Janssens, E.; Hou, G.-L.^* Adsorption of Methanol on Cationic Cobalt Clusters in the Gas Phase. J. Chem. Phys. 2025, 162 (7).

(3) Xu, J.; Li, Y.-K.; Guo, Z.-X.; Li, Z.; Hou, G.-L.^* Harnessing Hole Sites in 2D Monolayer C₆₀ for Metal Cluster Anchoring. J. Phys. Chem. Lett. 2025, 16 (4), 1142-1149.

(4) Xu, J.; Li, H.; Guo, Z.-X.; Li, Y.-K.; Hou, G.-L.^* Designing 2D Fullerene Networks from C₇₀: A Stable and Synthesizable Platform for Electronic Band Engineering. The Journal of Physical Chemistry Letters 2025, 16 (32), 8321-8328.

(5) Xin, J. Q.; Xu, J. Z.; Li, Y. K.; Zhao, J. B.; Billinghurst, B. E.; Gao, H.; Chen, Z. Q.; Hou, G.-L.^* FTIR Spectroscopic Study of Thioanisole and its Two Halogenated Derivatives. Chin. J. Chem. Phys. 2025, 38 (5), 587-596.

(6) Schwedland, W.; Penna, T. C.; Windeck, H.; Müller, F.; Leach, S.; Sauer, J.^*; Advincula, X. R.; Berger, F.^*; Ishida, N.; Ohshimo, K.; Misaizu, F. ^*; Li, Y.-K.; Chakraborty, A.; Horn, F.; Asmis, K. R.^* Unexpected Structural Isomers of AlFe₂O₄⁺ and AlCo₂O₄⁺: Vibrational Spectroscopy and Ion Mobility Combined with Quantum Chemistry. Chem. Sci. 2025, 16, 11999–12011

(7) Li, Y.-K.; Xu, J. Z.; Jin, J. Y.; Han, J.; Hou, G. L.^* CO₂ Hydrogenation to Formic Acid by a Molecular Catalyst B₁₂X₁₁^‒(X = F, Cl, Br, and I). J. Phys. Chem. A 2025, 129, 4990−4996.

(8) Li, L.; Xu, J.; Li, Y.-K.; Hou, G.-L.^* Assessing the Interactions in Atmospherically Relevant Sulfuric Acid-Carboxylic Acid Clusters. Chem. Select 2025, 10 (1), e202402935.

(9) Li, H.; Xu, J.; Xin, J.; Lushchikova, O. V.; Li, Y.-K.; Bakker, J. M.; Janssens, E.; Hou, G.-L.^* [C₆₀Au]⁺: C₆₀⁺Au Versus C₆₀Au⁺. J. Phys. Chem. Lett. 2025, 16 (50), 12705-12711.

(10) Hui, R. Z.; Zhang, L. J.; Hou, G. L.; He, S. G.; Li, Y.-K.^* Thermal CO₂ Adsorption and Activation on Copper Oxide Cluster Anions Cu_nO^‒ (n = 3‒9). J. Phys. Chem. A 2025, 129 (37), 8622-8629.

(11) Bian, W.^#; Wei, H.^#; Li, Y.-K.^#; Zhang, H.; Hou, G.^*; Bull, S. D.^*; Sun, X.^* Cyclization Regulated Fluorescent Emission on Multiple Conjugate Acceptors: Mechanistic Studies and Protein Labeling Applications in Living Cells. Sci. China Chem. 2025, 68 (11), 5892-5902.

2024

(1) Li, R.; Li, Y.-K.^*; Xu, J.; Hou, G.-L.^* Direct Reduction of NO into N₂ Catalyzed by Fullerene-Supported Rhodium Clusters. Phys. Chem. Chem. Phys. 2024, 26, 15332.

(2) Xu, J.; Li, Y.-K.; Janssens, E.; Hou, G.-L.^* Multifacets of Fullerene–Metal Clusters: From Fundamental to Application. Acc. Chem. Res. 2024, 57 (12), 1670-1683.

(3) Liu, X.; Bao, C.; Wang, Z.; Liu, C.; Zhang, X.; Yang, S.; Li, Y.-K.; Hou, G.-L.; Yan, N.^*; He, G.^* Meta-substituted Thienoviologen with Enhanced Radical Stability via π-π Interaction Modulation for Neutral Aqueous Organic Flow Batteries. Energy Storage Mater. 2024, 73, 103824.

Before 2024

(1) Luo, X. M.; Li, Y.-K.; Dong, X. Y.; Zang, S. Q.^* Platonic and Archimedean Solids in Discrete Metal-Containing Clusters. Chem. Soc. Rev. 2023, 52 (1), 383-444.

(2) Liu, Y.-J.; Chen, L.; Wang, Z.-Y.; Dong, X.-Y.; Li, Y.-K.; Zang, S.-Q.^* Engineering Intermolecular Charge Transfer in Chiral Organometallic Crystals by Rational Doping for High-Contrast CPL Switches. Sci. China Chem. 2023, 66 (7), 2011-2018.

(3) Li, Y.-K.^*; Sun, C. M.; Wei, G. P.; He, S. G.; Asmis, K. R.^*; Zang, S. Q.^* Thermal Methane Conversion to Formaldehyde Mediated by NiAlO₃⁺ in the Gas Phase. J. Phys. Chem. A 2023, 127 (7), 1636-1641.

(4) Wang, J.-Y.; Li, Y.-K.; Jing, X.; Luo, P.; Dong, X.-Y.; Zang, S.-Q.^* Co-Assembly of Ag₂₉ Nanoclusters with Ru(bpy)₃₂⁺ for Two-Photon Up-Conversion and Singlet Oxygen Generation. ACS Mater. Lett. 2022, 4 (5), 960-966.

(5) Li, Y.-K.; Muller, F.; Schollkopf, W.; Asmis, K. R.^*; Sauer, J.^* Gas-Phase Mechanism of O^•‒/Ni²⁺-Mediated Methane Conversion to Formaldehyde. Angew. Chem. Int. Ed. 2022, 61 (29), e202202297.

(6) Yang, Y.; Li, Y.-K.; Zhao, Y.-X.; Wei, G.-P.; Ren, Y.; Asmis, K. R.^*; He, S.-G.^* Catalytic Co-Conversion of CH₄ and CO₂ Mediated by Rhodium-Titanium Oxide Anions RhTiO₂. Angew. Chem. Int. Ed. 2021, 60 (25), 13788-13792.

(7) Wang, M.; Zhao, C.-Y.; Zhou, H.-Y.; Zhao, Y.; Li, Y.-K.; Ma, J.-B.^* The Sequential Activation of H₂ and N₂ mediated by the Gas-Phase Sc₃N⁺ Clusters: Formation of Amido Unit. J. Chem. Phys. 2021, 154 (5), 054307.

(8) Li, Y.-K. ^#; Babin, M. C. ^#;Debnath, S.; Iwasa, T.; Kumar, S.; Taketsugu, T.; Asmis, K. R.^*; Lyalin, A.^*; Neumark, D. M.^* Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy. J. Phys. Chem. A 2021, 125, 9527-9535.

(9) DeVine, J. A.; Debnath, S.; Li, Y.-K.; McCaslin, L. M.; Schollkopf, W.; Neumark, D. M.^*; Asmis, K. R.^* Infrared Photodissociation Spectroscopy of D₂-tagged CH₃CO₂^‒(H₂O)_0‒2 anions. Mol. Phys. 2020, 118 (11).

(10) Wang, Z. C.; Li, Y.-K.; He, S. G.; Bierbaum, V. M.^* The HNO^‒ Radical Anion: A Proposed Intermediate in Diazeniumdiolate Synthesis using Nitric Oxide and Alkoxides. Eur. J. Mass Spectrom. 2019, 25 (1), 82-85.

(11) Li, Y.-K.; Debnath, S.; Schlangen, M.; Schollkopf, W.; Asmis, K. R.^*; Schwarz, H.^* Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO₄]^•+/C₂H₄ Couple by Gas-Phase Vibrational Spectroscopy. Angew. Chem. Int. Ed. 2019, 58 (52), 18868-18872.

(12) Wang, Z.-C.; Li, Y.-K.; He, S.-G.; Bierbaum, V. M.^* Reactivity of Amino acid Anions with Nitrogen and Oxygen Atoms. Phys. Chem. Chem. Phys. 2018, 20 (7), 4990-4996.

(13) Li, Y.-K.; Zhao, Y. X.; He, S. G.^* Selective Conversion of Methane by Rh₁-Doped Aluminum Oxide Cluster Anions RhAl₂O₄^‒: A Comparison with the Reactivity of PtAl₂O₄^‒. J. Phys. Chem. A 2018, 122 (15), 3950-3955.

(14) Li, Y.-K.; Wang, Z.-C.; He, S.-G.; Bierbaum, V. M.^* Reactions of Sulfur and Oxygen Containing Anions with Nitrogen and Oxygen Atoms: A Comparative Study. Int. J. Mass Spectrom. 2018, 433, 1-6.

(15) Li, Y.-K.; Wang, Z.-C.; He, S.-G.; Bierbaum, V. M.^* Reactions of Sulfur- and Oxygen-Containing Anions with Hydrogen Atoms: A Comparative Study. J. Phys. Chem. Lett. 2017, 8 (23), 5725-5729.

(16) Li, Y.-K.; Yuan, Z.; Zhao, Y.-X.; Zhao, C.; Liu, Q.-Y.; Chen, H.^*; He, S.-G.^* Thermal Methane Conversion to Syngas Mediated by Rh₁-Doped Aluminum Oxide Cluster Cations RhAl₃O₄⁺. J. Am. Chem. Soc. 2016, 138 (39), 12854-12860.

(17) Li, Y.-K.; Li, Z.-Y.; Zhao, Y.-X.; Liu, Q.-Y.; Meng, J.-H.; He, S.-G.^* Activation and Transformation of Ethane by Au₂VO₃⁺ Clusters with Closed-Shell Electronic Structures. Chem. ‒Eur. J. 2016, 22 (5), 1825-1830.

(18)Li, Y.-K.; Meng, J.-H.; He, S.-G.^* Generation of Free Hydrogen Atoms in Thermal Reaction of Ethane with AuNbO₃⁺ Cluster Cations. Int. J. Mass Spectrom. 2015, 381, 10-16.