| BiVO4 nanocrystals with controllable oxygen vacancies induced by Zn-doping coupled with graphene quantum dots for enhanced photoelectrochemical water splitting Q Pan, K Yang, G Wang, D Li, J Sun, B Yang, Z Zou, W Hu, K Wen, ... Chemical Engineering Journal 372, 399-407, 2019 | 108 | 2019 |
| Grafting nanometer metal/oxide interface towards enhanced low-temperature acetylene semi-hydrogenation S Zou, B Lou, K Yang, W Yuan, C Zhu, Y Zhu, Y Du, L Lu, J Liu, W Huang, ... Nature Communications 12 (1), 5770, 2021 | 81 | 2021 |
| 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 K Yang, B Yang The Journal of Physical Chemistry C 122 (20), 10883-10891, 2018 | 70 | 2018 |
| Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates K Yang, B Yang Physical Chemistry Chemical Physics 19 (27), 18010-18017, 2017 | 63 | 2017 |
| Mechanism and Active Species in NH3 Dehydrogenation under an Electrochemical Environment: An Ab Initio Molecular Dynamics Study K Yang, J Liu, B Yang ACS Catalysis 11 (7), 4310-4318, 2021 | 50 | 2021 |
| Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor K Yang, J Zaffran, B Yang Physical Chemistry Chemical Physics 22 (2), 890-895, 2020 | 25 | 2020 |
| Electrocatalytic oxidation of ammonia on Pt: Mechanistic insights into the formation of N2 in alkaline media K Yang, J Liu, B Yang Journal of Catalysis 405, 626-633, 2022 | 23 | 2022 |
| CexZr1–xO2-Supported CrOx Catalysts for CO2-Assisted Oxidative Dehydrogenation of Propane─Probing the Active Sites and Strategies for Enhanced … J Dou, J Funderburg, K Yang, J Liu, D Chacko, K Zhang, AP Harvey, ... ACS Catalysis 13 (1), 213-223, 2022 | 21 | 2022 |
| Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High‐Throughput Combinatorial Approach R Cai, H Bektas, X Wang, K McClintock, L Teague, K Yang, F Li Advanced Energy Materials 13 (18), 2203833, 2023 | 9 | 2023 |
| Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces K Yang, B Yang Faraday Discussions 229, 50-61, 2021 | 8 | 2021 |
| Tuning the Aggregates of Thiophene‐based Trimers by Methyl Side‐chain Engineering for Photocatalytic Hydrogen Evolution X Yuan, K Yang, C Grazon, C Wang, L Vallan, JD Isasa, PM Resende, ... Angewandte Chemie 136 (1), e202315333, 2024 | 7 | 2024 |
| Soluble organic nanotubes for catalytic systems L Xiong, K Yang, H Zhang, X Liao, K Huang Nanotechnology 27 (11), 115603, 2016 | 7 | 2016 |
| Extending the solid solution range of sodium ferric pyrophosphate: Off‐stoichiometric Na3Fe2.5(P2O7)2 as a novel cathode for sodium‐ion batteries X Pu, K Yang, Z Pan, C Song, Y Lai, R Li, ZL Xu, Z Chen, Y Cao Carbon Energy 6 (4), e449, 2024 | 6 | 2024 |
| Hydrogenation of bio-oil-derived oxygenates at ambient conditions via a two-step redox cycle C Ruan, R Akutsu, K Yang, NM Zayan, J Dou, J Liu, A Bose, L Brody, ... Cell Reports Physical Science 4 (7), 2023 | 5 | 2023 |
| Identifying the reaction network complexity and structure sensitivity of selective catalytic oxidation of ammonia over Ag surfaces K Yang, B Yang Applied Surface Science 584, 152584, 2022 | 5 | 2022 |
| Metal-facilitated, sustainable nitroarene hydrogenation under ambient conditions C Ruan, K Yang, C Beckett, W Martin, ED Walter, W Hu, J Liu, N Zayan, ... Journal of Catalysis 432, 115428, 2024 | 1 | 2024 |
| Unraveling Dynamic Surface Restructuring and Intricate Reaction Networks in Catalysis Via Integrated DFT-Microkinetic Modeling K Yang, B Yang 2024 AIChE Annual Meeting, 2024 | | 2024 |
| High-Throughput Design of Phase Transition CO2 Sorbents for Green Hydrogen Generation K Yang, R Cai, X Wang, M Rukh, AS Bosari, E Giavedoni, A Pierce, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Ultra-pure hydrogen from chemical looping preferential oxidation of CO over a Cu–O–Ce based dual function material H Zheng, X Jiang, Z Li, Y Shao, X Liu, Y Wu, K Yang, MF Robitoh, X Ma, ... Chemical Engineering Journal 495, 153517, 2024 | | 2024 |
| High-throughput design of complex oxides as isothermal, redox-activated CO 2 sorbents for green hydrogen generation R Cai, K Yang, X Wang, M Rukh, AS Bosari, E Giavedoni, A Pierce, ... Energy & Environmental Science, 2024 | | 2024 |
