Kunran Yang Cai, R., Bektas, H., Wang, X., McClintock, K., Teague, L., Yang, K., & Li, F. (2023, March 22). Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High-Throughput Combinatorial Approach. ADVANCED ENERGY MATERIALS, Vol. 3. https://doi.org/10.1002/aenm.202203833 Pu, X., Yang, K., Pan, Z., Song, C., Lai, Y., Li, R., … Cao, Y. (2023). Extending the solid solution range of sodium ferric pyrophosphate: Off‐stoichiometric Na3Fe2.5(P2O7)2 as a novel cathode for sodium‐ion batteries. Carbon Energy. https://doi.org/10.1002/cey2.449 Ruan, C., Akutsu, R., Yang, K., Zayan, N. M., Dou, J., Liu, J., … Li, F. (2023). Hydrogenation of bio-oil-derived oxygenates at ambient conditions via a two-step redox cycle. CELL REPORTS PHYSICAL SCIENCE, 4(7). https://doi.org/10.1016/j.xcrp.2023.101506 Yuan, X., Yang, K., Grazon, C., Wang, C., Vallan, L., Isasa, J.-D., … Li, J. (2023, December 1). Tuning the Aggregates of Thiophene-based Trimers by Methyl Side-chain Engineering for Photocatalytic Hydrogen Evolution. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol. 12. https://doi.org/10.1002/anie.202315333 Dou, J., Funderburg, J., Yang, K., Liu, J., Chacko, D., Zhang, K., … Li, F. (2022, December 13). CexZr1-xO(2)-Supported CrOx Catalysts for CO2-Assisted Oxidative Dehydrogenation of Propane -Probing the Active Sites and Strategies for Enhanced Stability. ACS CATALYSIS, Vol. 12. https://doi.org/10.1021/acscatal.2c05286 Yang, K., Liu, J., & Yang, B. (2022). Electrocatalytic oxidation of ammonia on Pt: Mechanistic insights into the formation of N2 in alkaline media. Journal of Catalysis, 405, 626–633. https://doi.org/10.1016/j.jcat.2021.10.029 Yang, K., & Yang, B. (2022). Identifying the reaction network complexity and structure sensitivity of selective catalytic oxidation of ammonia over Ag surfaces. Applied Surface Science, 584, 152584. https://doi.org/10.1016/j.apsusc.2022.152584 Yang, K., & Yang, B. (2021). Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces. Faraday Discussions, 229, 50–61. https://doi.org/10.1039/C9FD00122K Yang, K., Zaffran, J., & Yang, B. (2021). Erratum: Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor (Phys. Chem. Chem. Phys. (2020) 22 (890-895) DOI: 10.1039/C9CP04885E). Physical Chemistry Chemical Physics, 23(7), 4454. https://doi.org/10.1039/d1cp90025k Zou, S., Lou, B., Yang, K., Yuan, W., Zhu, C., Zhu, Y., … Fan, J. (2021). Grafting nanometer metal/oxide interface towards enhanced low-temperature acetylene semi-hydrogenation. Nature Communications, 12(1). https://doi.org/10.1038/s41467-021-25984-8 Yang, K., Liu, J., & Yang, B. (2021). Mechanism and Active Species in NH3 Dehydrogenation under an Electrochemical Environment: An Ab Initio Molecular Dynamics Study. ACS Catalysis, 11(7), 4310–4318. https://doi.org/10.1021/acscatal.0c05247 Yang, K., Zaffran, J., & Yang, B. (2020). Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor. Physical Chemistry Chemical Physics, 22(2), 890–895. https://doi.org/10.1039/C9CP04885E Pan, Q., Yang, K., Wang, G., Li, D., Sun, J., Yang, B., … Yang, H. (2019). BiVO4 nanocrystals with controllable oxygen vacancies induced by Zn-doping coupled with graphene quantum dots for enhanced photoelectrochemical water splitting. Chemical Engineering Journal, 372, 399–407. https://doi.org/10.1016/j.cej.2019.04.161 Yang, K., & Yang, B. (2018). Identification of the Active and Selective Sites over a Single Pt Atom-Alloyed Cu Catalyst for the Hydrogenation of 1,3-Butadiene: A Combined DFT and Microkinetic Modeling Study. The Journal of Physical Chemistry C, 122(20), 10883–10891. https://doi.org/10.1021/acs.jpcc.8b01980 Yang, K., & Yang, B. (2017). Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates. Physical Chemistry Chemical Physics, 19(27), 18010–18017. https://doi.org/10.1039/C7CP02152F Xiong, L., Yang, K., Zhang, H., Liao, X., & Huang, K. (2016). Soluble organic nanotubes for catalytic systems. Nanotechnology, 27(11). https://doi.org/10.1088/0957-4484/27/11/115603