publications.html

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title: Publications
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    <h1>Publications</h1>
    <p>Our research contributions to the scientific community</p>
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    <div class="section-title">
      <h2>2025</h2>
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    <div class="publication-list">
      <div class="publication-item">
        <h3>A Machine Learning Interatomic Potential Data Set and Model for Catalysis with Local Fine-Tuning to Chemical Accuracy</h3>
        <p class="authors">Wu, Z.#; Zhou, L.#; Hou, P.; Liu, Y.; Wang, R.; Guo, T.; Liu, J.-C.*</p>
        <p class="journal">JACS Au, 2025</p>
        <span class="year">2025</span>
      </div>

      <div class="publication-item">
        <h3>Electron Donor Gd-Evoked Pd─OH* Interaction Modulation via Alloying for Enhanced Electrocatalytic Oxygen Reduction</h3>
        <p class="authors">Yin, L.#; Liu, Y.#; Zhang, S.; Liu, J.-C.*; Jiang, Y.; Du, Y.*</p>
        <p class="journal">Adv. Funct. Mater., 2025</p>
        <span class="year">2025</span>
      </div>

      <div class="publication-item">
        <h3>Reactant-Induced Dynamic Active Sites on Cu Catalysts during the Water–Gas Shift Reaction</h3>
        <p class="authors">Hou, P.; Yu, Q.; Luo, F.; Liu, J.-C.*</p>
        <p class="journal">ACS Catal., 2025, 15, 1, 352–360</p>
        <span class="year">2025</span>
      </div>

      <div class="publication-item">
        <h3>Recycling Sulfur-Poisoned Pd Catalysts via Thermal Atomization for Semi-Hydrogenation of Acetylene</h3>
        <p class="authors">Li, Q., Liu, S., Liu, J.-C.*, Li, Z.*, and Li, Y.*</p>
        <p class="journal">J. Am. Chem. Soc., 2025, 147, 7, 5615-5623</p>
        <span class="year">2025</span>
      </div>
    </div>

    <div class="section-title" style="margin-top: 40px;">
      <h2>2024</h2>
    </div>

    <div class="publication-list">
      <div class="publication-item">
        <h3>Dynamic phase transitions dictate the size effect and activity of supported gold catalysts</h3>
        <p class="authors">Zhou, L.#, Fu, X.-P.#, Wang, R.#, Wang, C.-X., Luo, F., Yan, H., He, Y.*, Jia, C.-J.*, Li, J.*, Liu, J.-C.*</p>
        <p class="journal">Sci. Adv., 2024, 10: eadr4145</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Single‐atom Barium Promoter Enormously Enhanced Non‐noble Metal Catalyst for Ammonia Decomposition</h3>
        <p class="authors">Xu, K., Zhang, Y.-Y., Wang, W.-W., Mi, P., Liu, J.-C.*, Ma, C., Zhang, Y.-W., Jia, C.-J.*, Ma, D.*, Yang, C.-H.</p>
        <p class="journal">Angew. Chem. Int. Ed., 2024</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>An aluminum-based hybrid film photoresist for advanced lithography by molecular layer deposition</h3>
        <p class="authors">Wang, X., Guo, T., Shan, Y., Zhang, O., Dong, H.*, Liu, J.-C.*, and Luo, F.*</p>
        <p class="journal">J. Mater. Chem. C, 2024</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Direct cleavage of C=O double bond in CO2 by the subnano MoOx surface on Mo2N</h3>
        <p class="authors">Liu, H.-X., Wang, W.-W.*, Fu, X.-P., Liu, J.-C.*, and C.-J. Jia*</p>
        <p class="journal">Nat. Commun., 2024, 15, 9126</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Synthesis of palladium-rare earth alloy as a high-performance bifunctional catalyst for direct ethanol fuel cells</h3>
        <p class="authors">Li, Q.; Sun, C.; Sun, X.; Yin, Z.; Du, Y.*; Liu, J.-C.*; Luo, F.*</p>
        <p class="journal">Nano Research, 2024</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Facet‐dependent diversity of Pt–O coordination for Pt1/CeO2 catalysts achieved by oriented atomic deposition</h3>
        <p class="authors">Yan, H.; Lei, H.; Qin, X.; Liu, J.-C.*; Cai, L.; Hu, S.; Xiao, Z.; Peng, F.; Wang, W.-W.; Jin, Z.; Yi, X.; Zheng A.; Ma C.; Jia C.-J.*; Zeng J.*</p>
        <p class="journal">Angew. Chem. Int. Ed., 2024, e202411264</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Stimulating Electron Delocalization of Lanthanide Elements through High-Entropy Confinement to Promote Electrocatalytic Water Splitting</h3>
        <p class="authors">Jiang, Y.; Liang, Z.; Liu, J.-C.*; Fu, H.; Yan, C.-H.; Du, Y.*</p>
        <p class="journal">ACS Nano, 2024, 18 (29), 19137-19149</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Identifying the key structural features of Ni-based catalysts for the CO2 methanation reaction</h3>
        <p class="authors">Li, Z.-X.; Fu, X.-P.; Ma, C.; Wang, W.-W.*; Liu, J.-C.*; Jia, C.-J.*</p>
        <p class="journal">J. Catal., 2024, 436, 115585</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Catalytic properties of trivalent rare-earth oxides with intrinsic surface oxygen vacancy</h3>
        <p class="authors">Xu, K.#; Liu, J.-C.#; Wang, W.-W.; Zhou, L.-L.; Ma, C.; Guan, X.; Wang, F. R.*; Li, J.*; Jia, C.-J.*; Yan C.-H.*</p>
        <p class="journal">Nat. Commun., 2024, 15 (1), 5751</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Enhanced Alkaline Hydrogen Evolution Reaction via Electronic Structure Regulation: Activating PtRh with Rare Earth Tm Alloying</h3>
        <p class="authors">Li, Q.; Zhang, B.; Sun, C.; Sun, X.; Li, Z.; Du, Y.*; Liu, J.-C.*; Luo, F.*</p>
        <p class="journal">Small, 2024, 2400662</p>
        <span class="year">2024</span>
      </div>

      <div class="publication-item">
        <h3>Penta-Coordinated Y Sites Modulated Single Bi Sites for Promoted Selectivity of Electrochemical CO2 Reduction</h3>
        <p class="authors">Liang, Z.; Song, L.; Jiang, Y.; Liu, J.-C.*; Zhang, Y.; Zhang, Q.; Yan, C.-H.; Du, Y.*</p>
        <p class="journal">Adv. Funct. Mater., 2024, 34(9), 2311087</p>
        <span class="year">2024</span>
      </div>
    </div>

    <div class="section-title" style="margin-top: 40px;">
      <h2>2023</h2>
    </div>

    <div class="publication-list">
      <div class="publication-item">
        <h3>Electrochemical Potential-Driven Shift of Frontier Orbitals in M-N-C Single-Atom Catalysts Leading to Inverted Adsorption Energies</h3>
        <p class="authors">Liu, J.-C.*, Luo, F., Li, J.</p>
        <p class="journal">J. Am. Chem. Soc., 2023, 145(46), 25264-25273</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Boosting reactivity of water-gas shift reaction by synergistic function over CeO2-x/CoO1-x/Co dual interfacial structures</h3>
        <p class="authors">Fu, X.-P.; Wu C.-P.; Wang W.-W.; Jin Z.; Liu, J-C.*; Ma C.*; Jia, C.-J.*</p>
        <p class="journal">Nat. Commun., 2023, 14(1), 6851</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Ternary Rare Earth Alloy Pt3-xIrxSc Nanoparticles Modulate Negatively Charged Pt via Charge Transfer to Facilitate pH-universal Hydrogen Evolution</h3>
        <p class="authors">Zhang, S.; Yin, L.; Wang, S.; Liu, J.-C.*; Zhang, Y.; Wen, Y.; Zhang, Q.; Du, Y.*</p>
        <p class="journal">ACS Nano, 2023, 17(22), 23103-23114</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Enhanced Alkaline Hydrogen Evolution Reaction through Lanthanide‐Modified Rhodium Intermetallic Catalysts</h3>
        <p class="authors">Li, Q.; Sun, C.; Fu, H.; Zhang, S.; Sun, X.; Liu, J.-C.*; Du, Y.*; Luo, F.*</p>
        <p class="journal">Small, 2023, 2307052</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS4 by DFT and machine learning</h3>
        <p class="authors">Liu, T.; Zhao, X.; Liu, X.*; Xiao, W.*; Luo, Z.; Wang, W.*; Zhang, Y.; Liu, J.-C.*</p>
        <p class="journal">Journal of Energy Chemistry, 2023, 81, 93-100</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Computational Prediction of Graphdiyne-Supported Three-Atom Single-Cluster Catalysts</h3>
        <p class="authors">Liu, J.-C.; Xiao, H.; Zhao, X.-K.; Zhang, N.-N.; Liu, Y.; Xing, D.-H.; Yu, X.; Hu, H.-S.; Li, J.*</p>
        <p class="journal">CCS Chemistry, 2023, 5 (1), 152-163</p>
        <span class="year">2023</span>
      </div>

      <div class="publication-item">
        <h3>Controllable Conversion of Platinum Nanoparticles to Single Atoms in Pt/CeO2 by Laser Ablation for Efficient CO Oxidation</h3>
        <p class="authors">Fu, N; Liang, X.; Wang, X.; Gan, T.; Ye, C.; Li, Z.*, Liu, J.-C.*; Li Y.*</p>
        <p class="journal">J. Am. Chem. Soc., 2023, 145 (17), 9540-9547</p>
        <span class="year">2023</span>
      </div>
    </div>

    <div class="section-title" style="margin-top: 40px;">
      <h2>2022</h2>
    </div>

    <div class="publication-list">
      <div class="publication-item">
        <h3>Atomic replacement of PtNi nanoalloys within Zn-ZIF-8 for the fabrication of multi-site CO2 reduction electrocatalyst</h3>
        <p class="authors">Wang, X.#; Fu, N.#; Liu, J.-C.#; Yu, K.#; Li, Z.*; Li, Y.*</p>
        <p class="journal">J. Am. Chem. Soc., 2022, 144 (50), 23223-23229</p>
        <span class="year">2022</span>
      </div>

      <div class="publication-item">
        <h3>Metal-Affinity of Support Dictates Sintering of Gold Catalysts</h3>
        <p class="authors">Liu, J.-C.#; Luo, L.#; Xiao, H.; Zhu, J.; He, Y.*; Li, J.*</p>
        <p class="journal">J. Am. Chem. Soc., 2022, 144, 45, 20601–20609</p>
        <span class="year">2022</span>
      </div>

      <div class="publication-item">
        <h3>Releasing the limited catalytic activity of CeO2-supported noble metal catalysts via UV-induced deep dechlorination</h3>
        <p class="authors">Yan, H.#; Qin, X.#; Liu, J.-C.#; Cai, L.; Xu, P.; Song, J.-J.; Ma, C.; Wang, W.-W.; Jin, Z.; Jia, C.-J.*</p>
        <p class="journal">J. Catal., 2022, 413, 703-712</p>
        <span class="year">2022</span>
      </div>

      <div class="publication-item">
        <h3>Strain engineering in single-atom catalysts: GaPS4 for bifunctional oxygen reduction and evolution</h3>
        <p class="authors">Liu, X.; Liu, T.; Xiao, W.; Wang, W.*; Zhang, Y.; Wang, G.; Luo, Z.; Liu, J.-C.*</p>
        <p class="journal">Inorg. Chem. Front., 2022, 9 (16), 4272-4280</p>
        <span class="year">2022</span>
      </div>

      <div class="publication-item">
        <h3>Few-Atom Pt Ensembles Enable Efficient Catalytic Cyclohexane Dehydrogenation for Hydrogen Production</h3>
        <p class="authors">Deng, Y.#; Guo, Y.#; Jia, Z.#; Liu, J.-C.#; Guo, J.; Cai, X.; Dong, C.; Wang, M.; Li, C.; Diao, J.; Jiang, Z.; Xie, J.; Wang, N.; Xiao, H.; Xu, B.; Zhang, H.; Liu, H.*; Li, J.*; Ma, D.*</p>
        <p class="journal">J. Am. Chem. Soc., 2022, 144 (8), 3535-3542</p>
        <span class="year">2022</span>
      </div>
    </div>

    <div class="section-title" style="margin-top: 40px;">
      <h2>2016-2021</h2>
    </div>

    <div class="publication-list">
      <div class="publication-item">
        <h3>VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code</h3>
        <p class="authors">Wang, V.*; Xu, N.; Liu, J.-C.; Tang, G.; Geng W.-T.</p>
        <p class="journal">Comput. Phys. Commun., 2021, 267, 108033</p>
        <span class="year">2021</span>
      </div>

      <div class="publication-item">
        <h3>Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy</h3>
        <p class="authors">Liu, J.-C.; Xiao, H.*; Li, J.*</p>
        <p class="journal">J. Am. Chem. Soc., 2020, 142 (7), 3375-3383</p>
        <span class="year">2020</span>
      </div>

      <div class="publication-item">
        <h3>Molecular nitrogen promotes catalytic hydrodeoxygenation</h3>
        <p class="authors">Duan, H.#; Liu, J.-C.#; Xu, M.#; Zhao, Y.; Ma, X.-L.; Dong, J.; Zheng, X.; Zheng, J.; Allen, C. S.; Danaie, M.; Peng, Y.-K.; Issariyakul, T.; Chen, D.; Kirkland, A. I.; Buffet, J.-C.; Li, J.*; Tsang, S. C. E.*; O'Hare, D.*</p>
        <p class="journal">Nat. Catal., 2019, 2 (12), 1078-1087</p>
        <span class="year">2019</span>
      </div>

      <div class="publication-item">
        <h3>Non defect-stabilized thermally stable single-atom catalyst</h3>
        <p class="authors">Lang, R.#; Xi, W.#; Liu, J.-C.#; ....Qiao, B.*, Li, J.*, Zhang, T.*</p>
        <p class="journal">Nat. Commun., 2019, 10 (1), 234</p>
        <span class="year">2019</span>
      </div>

      <div class="publication-item">
        <h3>Theoretical understanding of the stability of single-atom catalysts</h3>
        <p class="authors">Liu, J.-C.; Tang, Y.; Wang, Y.-G.; Zhang, T.; Li, J.*</p>
        <p class="journal">Natl. Sci. Rev., 2018, 5 (5), 638-641</p>
        <span class="year">2018</span>
      </div>

      <div class="publication-item">
        <h3>Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism</h3>
        <p class="authors">Liu, J.-C.; Ma, X.-L.; Li, Y.; Wang, Y.-G.; Xiao, H.; Li, J.*</p>
        <p class="journal">Nat. Commun., 2018, 9 (1), 1610</p>
        <span class="year">2018</span>
      </div>

      <div class="publication-item">
        <h3>Size-dependent dynamic structures of supported gold nanoparticles in CO oxidation reaction condition</h3>
        <p class="authors">He, Y.#; Liu, J.-C.#; Luo, L.#; Wang, Y.-G.; Zhu, J.; Du, Y.; Li, J.*; Mao, S. X.*; Wang, C.*</p>
        <p class="journal">Proc. Natl. Acad. Sci. U.S.A., 2018, 115 (30), 7700-7705</p>
        <span class="year">2018</span>
      </div>

      <div class="publication-item">
        <h3>Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria</h3>
        <p class="authors">Liu, J.-C.; Wang, Y.-G.*; Li, J.*</p>
        <p class="journal">J. Am. Chem. Soc., 2017, 139 (17), 6190-6199</p>
        <span class="year">2017</span>
      </div>

      <div class="publication-item">
        <h3>Mechanistic Insights into Propene Epoxidation with O2–H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations</h3>
        <p class="authors">Liu, J.-C.; Tang, Y.; Chang, C.-R.*; Wang, Y.-G.*; Li, J.*</p>
        <p class="journal">ACS Catal., 2016, 6 (4), 2525-2535</p>
        <span class="year">2016</span>
      </div>
    </div>

    <div class="text-center" style="margin-top: 40px;">
      <p style="margin-top: 10px;">For a complete list of publications, please visit our profiles on:</p>
      <p style="margin-top: 10px;">
        <a href="https://scholar.google.com" target="_blank" rel="noopener" class="btn btn-secondary">Google Scholar</a>
        <a href="https://www.researchgate.net" target="_blank" rel="noopener" class="btn btn-secondary">ResearchGate</a>
      </p>
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    <div class="section-title">
      <h2>Patents</h2>
      <p>Intellectual property and technology innovations</p>
    </div>
    <div class="text-center">
      <p style="color: #666;">Patent information will be updated soon.</p>
    </div>
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    <div class="section-title">
      <h2>Theses & Dissertations</h2>
      <p>Graduate research from our group members</p>
    </div>
    <div class="text-center">
      <p style="color: #666;">Thesis information will be updated soon.</p>
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