Yan Jiao

Research Interests

Density Functional Theory Electrochemistry Energy Generation, Conversion and Storage Engineering

Prof Yan Jiao

Dean, School of Chemical Engineering

School of Chemical Engineering

College of Engineering and Information Technology

Eligible to supervise Masters and PhD as Principal Supervisor - email supervisor to discuss availability.

My research aims to design better electrocatalyst materials and reaction environments for clean energy conversion reactions (i.e. converting electrical energy into chemical energy and vice versa). My core expertise is molecular modelling; through a multidisciplinary approach with collaborators, my research work interweaves materials science, chemical engineering, nanotechnology, and physical chemistry.I obtained my PhD in Chemical Engineering from UQ in 2012. After that, I joined the University of Adelaide, now Adelaide University.My dedication to the field has been recognised with several accolades, including the Young Tall Poppy Award in 2020. I am also honoured to be a finalist for 2022 and 2023 Malcolm McIntosh Prize for Physical Scientist of the Year. I am currently serving as a member of the College of Experts for the Australian Research Council (https://www.arc.gov.au/about-arc/arc-profile/arc-committees/arc-college-experts).I have published more than 150 papers in journals such as Nature Chemical Engineering, Nature Energy, Nature Communications, Journal of the American Chemical Society, and Energy & Environmental Science. My research publications have collectively received more than 47,000 citations, with an h-index of 83. My work has also earned me the recognition of being a Highly-Cited Researcher in Chemistry by Clarivate Analytics since 2019.

 

Yan

CSR

 

 

 

 

 

 

Research Expertise

Pioneering the Future of Energy Materials Design

My research expertise is centred on molecular modelling, a powerful tool that paves the way for innovative developments in computational electrochemistry and the design of energy materials through computational methods.

Background: Australia's Renewable Energy Landscape

Australia's abundant sunshine and prevailing wind have positioned the nation at the forefront of transitioning to a renewable energy-supported economy. South Australia is leading this charge and has achieved a 10-day running on 100% renewable energy in the summer of 2023. This rapid expansion of renewable electricity offers both immediate and long-term societal benefits, such as the reduction of millions of tons of CO2 emissions, the resolution of energy crises, and the potential creation of substantial revenues for Australia in the energy market - possibly in the billions of dollars.

The challenge of converting and storing renewable electricity is central to our sustainable future. Catalyst materials can help achieve this goal, by converting excessively generated renewable electricity into chemicals and fuels (and many other relevant reactions). My research, focusing on molecular modelling, aims to meet this challenge by developing catalyst materials for efficient energy conversion. This method enables targeted material design, moving beyond traditional trial-and-error processes, and focuses on creating advanced catalysts. Utilizing hydrogen, carbon, nitrogen, and battery as energy carriers, with renewable energy as input, my work strives to produce and utilize clean fuels that align with our planet's well-being.

Methodology: Catalyst Discovery Enabled by Modelling and Collaborative Approach

The specific methodology I employ mainly involves molecular modelling on high-performance computers (HPC). By constructing atom-by-atom models of catalyst materials, I explore the energetics of reaction pathways. This involves creatively combining elements such as carbon, oxygen, nitrogen, and hydrogen to generate diverse chemicals and fuels. Such an understanding lays the foundation for designing catalyst materials that can produce more chemicals/fuels from the same amount of renewable electricity.

My research goes beyond mere theoretical computations. It includes extensive collaboration with experimental researchers, using their observations to shape my models and forecast more effective catalyst materials for experimental validation. Additionally, I am pushing the boundaries in computational electrochemistry theory, allowing for more accurate modeling of the energy conversion process and the design of more reliable catalyst materials.

Awards

Media

Recommended Reading

  • Turning the Tide for Academic Women in STEM: A Postpandemic Vision for Supporting Female Scientists. https://pubs.acs.org/doi/10.1021/acsnano.1c09686 (Note from Yan: I didn't write this perspective, but I strongly support the recommendations set out in this perspective. I received tremendous support and mentorship during my career development. That support and mentorship mean a lot to me and I would like to advocate for the community to show provide more opportunities, mentorship and support to young female researchers.)

Date Position Institution name
2026 - ongoing Dean, School of Chemical Engineering Adelaide University
2024 - 2025 Head, School of Chemical Engineering University of Adelaide
2024 - ongoing Professor University of Adelaide
2023 - 2024 Acting Head, School of Chemical Engineering University of Adelaide
2022 - 2023 Deputy Head, School of Chemical Engineering University of Adelaide
2021 - 2023 Associate Professor University of Adelaide
2020 - ongoing Future Fellow University of Adelaide
2020 - 2021 Director of Research, School of Chemical Engineering and Advanced Materials University of Adelaide
2019 - 2022 Theme Leader, Functional Materials, Faculty of ECMS University of Adelaide
2019 - 2021 Senior Lecturer University of Adelaide
2018 - ongoing Deputy Director, Centre for Materials in Energy and Catalysis University of Adelaide
2018 - 2018 Beacon Research Fellow University of Adelaide
2012 - 2017 Postdoctoral Researcher University of Adelaide

Date Type Title Institution Name Country Amount
2020 Award Highly Cited Researcher (Chemistry) Clarivate Analytics Australia -
2015 Award Women's Research Excellence Awards Early Career, The University of Adelaide - - -
2013 Award Chinese Government Award for Outstanding Students Abroad - - -
2013 Award Dean's Award for Research Higher Degree Excellence, The University of Queensland - - -
2012 Award Graduate School International Travel Award, The University of Queensland - - -
2009 Scholarship UQIRTA, The University of Queensland - - -
2009 Scholarship School of Engineering Scholarship, The University of Queensland - - -

Language Competency
Chinese (Mandarin) Can read, write, speak, understand spoken and peer review
English Can read, write, speak, understand spoken and peer review

Date Institution name Country Title
2009 - 2012 The University of Queensland Australia PhD
2001 - 2005 Ocean University of China China BSc

Year Citation
2026 Chen, Y., Tan, Z., Jin, H., Jiao, Y., Li, J., & Wang, S. (2026). Rare-earth-mediated electronic engineering in high entropy alloy catalysts for enhanced performance in rechargeable zinc–air batteries. Journal of Colloid and Interface Science, 709, 139917-1-139917-12.
DOI Scopus1 WoS1
2026 Hao, J., Zhu, Y., Jiao, Y., Wu, H., Zhang, S. -J., Wang, C., & Qiao, S. -Z. (2026). Reshaping static aqueous Zn─Br battery chemistry without liquid Br₂ for intrinsic safety and cycle durability. Science Advances, 12(15), eaed8075-1-eaed8075-11.
DOI Scopus3 WoS3 Europe PMC1
2026 Fu, S., van Eyk, P., Atanackovic, P., Lewis, D., & Jiao, Y. (2026). Ion-selective β-Ga₂O₃ based heterostructures for durable seawater splitting. Chemical Engineering Journal, 536, 175995-1-175995-11.
DOI
2026 Ren, W., Bai, X., Zheng, M., Jiao, Y., Zheng, Y., & Qiao, S. -Z. (2026). Potential of Zero Charge as a Kinetic Descriptor for CO₂ Electroreduction. Journal of the American Chemical Society, 148(19), 19827-19834.
DOI Scopus2 WoS2
2026 Jiao, Y., Qu, Y., Zhang, W. E., Jiao, Y., & Qiao, S. -Z. (2026). Carbon-Supported High-Entropy Electrocatalyst Design via Large Language Models. ACS Catalysis, 16(12), 11062-11074.
DOI Scopus1 WoS1
2026 Liu, J., Bai, X., Anfar, Z., Petit, E., Moderne, M., Li, J., . . . Voiry, D. (2026). Hydrogen bond network disruption enables efficient direct reactive capture of CO2 from flue gas.. Nat Commun, 17(1), 14 pages.
DOI
2026 Zhao, Z., Zhao, Y., Jiao, Y., Abell, A. D., Law, C. S., & Santos, A. (2026). Unravelling support-dependent photoelectrocatalytic activity of high-valence Ir single atoms on TiO₂ nanofilms. Chemical Engineering Journal, 543, 178649-1-178649-13.
DOI
2026 Chen, L., Voiry, D., & Jiao, Y. (2026). Reaction Environment Engineering for Selective C₃₊ Formation in CO₂ Electroreduction: Progress and Perspectives. Angewandte Chemie International Edition, 65(37), e8317143-1-e8317143-21.
DOI Scopus1
2026 Chen, L., Voiry, D., & Jiao, Y. (2026). Reaction Environment Engineering for Selective C
<sub>3+</sub>
Formation in CO
<sub>2</sub>
Electroreduction: Progress and Perspectives. Angewandte Chemie, 138(37).
DOI
2026 Hashem, E. M., Jiao, Y., Talebian-Kiakalaieh, A., Xu, X., Ren, S., Liang, T., . . . Ran, J. (2026). Cu-Pd Dual Single Atoms Promoting Selective CO₂ Photoreduction to C₂ Products in Seawater. Advanced Materials, 38(52), e74420-1-e74420-18.
DOI
2026 Wang, Z., Wang, P., Zhao, Y., Lu, T., Jiao, Y., Liu, Y., . . . Qiao, S. -Z. (2026). A Structurally Distinct High-Entropy Zeolitic Imidazolate Framework Enabled by Entropy-Assisted Co-Ligation. Journal of the American Chemical Society, 148(34), 36733-36742.
DOI
2026 Lee, C. W., Xu, H., Chen, L., Xu, J., Gunawan, D., Johannessen, B., . . . Amal, R. (2026). Atomically Incorporated Iridium in Cobalt Manganese Oxide for Highly Stable Acidic Oxygen Evolution Reaction. ACS Catalysis, 16(18), 17830-17841.
DOI
2026 Qiu, P., Chen, L., Daiyan, R., & Jiao, Y. (2026). Identification of key descriptors for C–C coupling on dual-atom catalysts. Journal of Materials Chemistry A, 14(66), 1-12.
DOI
2026 Ramadhany, P., Qiu, P., Trần‐Phú, T., Gunawan, D., Johannessen, B., Hocking, R. K., . . . Daiyan, R. (2026). Pulsed Oxidative–Reductive Electrolysis Over Dual Cu and Co Single‐Atom Sites for Urea Electrosynthesis. Advanced Materials, 1-16.
DOI
2026 Wu, H., Jiao, Y., & Voiry, D. (2026). Beyond Faradaic Efficiency: Towards efficient electroreduction of CO2 in Membrane-Electrode assemblies. Materials Today, 101, 103537.
DOI
2025 Jiao, Y., & Zheng, Y. (2025). Electrolyzer engineering through in situ catalyst regeneration. Nature Chemical Engineering, 2(3), 163-164.
DOI
2025 Cheng, J., Chen, L., Zhang, Y., Wang, M., Zheng, Z., Jiang, L., . . . Peng, Y. (2025). Metal-organic double layer to stabilize selective multi-carbon electrosynthesis. Nature Communications, 16(1), 3743-1-3743-15.
DOI Scopus43 WoS40 Europe PMC11
2025 Jiang, L., Zhi, X., Bai, X., & Jiao, Y. (2025). Atomic-Level Insights into Cation-Mediated Mechanism in Electrochemical Nitrogen Reduction. Journal of the American Chemical Society, 147(20), 16935-16947.
DOI Scopus40 WoS41 Europe PMC15
2025 Mao, X., Bai, X., Wu, G., Qin, Q., O’Mullane, A. P., Jiao, Y., & Du, A. (2025). Correction to “Electrochemical Reduction of N<sub>2</sub> to Ammonia Promoted by Hydrated Cation Ions: Mechanistic Insights from a Combined Computational and Experimental Study”. Journal of the American Chemical Society, 147(26), 23348.
DOI Scopus1 WoS1
2025 Peng, C., Mao, X., Zheng, M., Jaroniec, M., Jiao, Y., Zheng, Y., & Qiao, S. -Z. (2025). Ultradiluted (Alkyl)ammonium Enables Acidic CO2₂ Electroreduction. ACS Catalysis, 15(5), 13346-13352.
DOI Scopus11 WoS11
2025 Bai, X., Jiang, L., & Jiao, Y. (2025). Atomic insights into how electrolyte concentration controls CO electroreduction to acetate.. Chemical Science, 16(37), 17461-17469.
DOI Scopus3 WoS3
2025 Zhao, Z., Zhao, Y., Wang, W. -Q., Xin, X., Jiao, Y., Abell, A. D., . . . Santos, A. (2025). Coupling of Engineered High Entropy Alloys with Semiconducting TiO₂ Nanofilms for Scalable and Ultrafast Alkaline Hydrogen Evolution Reaction. Advanced Science, 13(2), e14558-1-e14558-14.
DOI Scopus7 WoS6 Europe PMC3
2025 Xia, Z., Jin, H., Zheng, Y., Jiao, Y., Qiao, S., Gunawan, D., . . . Dai, L. (2025). Carbon catalysts for CO₂ conversion: From carbon emissions to zero-carbon solutions. Science Advances, 11(47), eady9164-1-eady9164-19.
DOI Scopus20 WoS21 Europe PMC3
2025 Zhu, Y., Zhao, X., Zhao, Y., Chen, Q., Hao, J., & Jiao, Y. (2025). Water-modulated electrolyte enables the development of advanced low-temperature Zn-ion batteries. Journal of Materials Chemistry A, 14(1), 468-475.
DOI Scopus3 WoS3
2024 Bai, X., Chen, C., Zhao, X., Zhang, Y., Zheng, Y., & Jiao, Y. (2024). Accelerating the Reaction Kinetics of CO₂ Reduction to Multi-Carbon Products by Synergistic Effect between Cation and Aprotic Solvent on Copper Electrodes. Angewandte Chemie International Edition, 63(9), e202317512-1-e202317512-11.
DOI Scopus59 WoS58 Europe PMC26
2024 Bai, X., Chen, C., Zhao, X., Zhang, Y., Zheng, Y., & Jiao, Y. (2024). Accelerating the Reaction Kinetics of CO₂ Reduction to Multi‐Carbon Products by Synergistic Effect between Cation and Aprotic Solvent on Copper Electrodes. Angewandte Chemie, 136(9), e202317512-1-e202317512-11.
DOI
2024 Wu, Q., Dai, C., Meng, F., Jiao, Y., & Xu, Z. J. (2024). Potential and electric double-layer effect in electrocatalytic urea synthesis.. Nat Commun, 15(1), 11 pages.
DOI Scopus114 WoS119 Europe PMC45
2024 Jiang, L., Bai, X., Zhi, X., & Jiao, Y. (2024). New Mechanistic Insights into Electrokinetic Competition Between Nitrogen Reduction and Hydrogen Evolution Reactions. Advanced Energy Materials, 14(28), 2303809-1-2303809-11.
DOI Scopus57 WoS53
2024 Cui, M., Zhu, Y., Lei, H., Liu, A., Mo, F., Ouyang, K., . . . Huang, Y. (2024). Anion–Cation Competition Chemistry for Comprehensive High-Performance Prussian Blue Analogs Cathodes. Angewandte Chemie - International Edition, 63(23), 1-8.
DOI Scopus35 WoS38 Europe PMC13
2024 Mao, X., Bai, X., Wu, G., Qin, Q., O'Mullane, A. P., Jiao, Y., & Du, A. (2024). Electrochemical Reduction of N2 to Ammonia Promoted by Hydrated Cation Ions: Mechanistic Insights from a Combined Computational and Experimental Study. J Am Chem Soc, 146(27), 18743-18752.
DOI Scopus80 WoS84 Europe PMC33
2024 Zhang, T., Wang, S., & Jiao, Y. (2024). Editorial for Advanced Energy Materials, Special Issue on Electrocatalytic and Photocatalytic N<inf>2</inf> Fixation. Advanced Energy Materials, 14(28), 2 pages.
DOI Scopus10 WoS9
2024 Zhu, Y., Chen, Q., Hao, J., & Jiao, Y. (2024). Breaking hydrogen-bonds in aqueous electrolytes towards highly reversible zinc-ion batteries. Journal of Materials Chemistry A, 31(31), 20097-20106.
DOI Scopus19 WoS19
2024 Guo, J., Haghshenas, Y., Jiao, Y., Kumar, P., Yakobson, B. I., Roy, A., . . . Xia, Z. (2024). Rational Design of Earth-Abundant Catalysts toward Sustainability. Advanced Materials, 36(42), 2407102-1-2407102-34.
DOI Scopus95 WoS87 Europe PMC27
2024 Zhao, Z., Law, C. S., Zhao, Y., Baron Jaimez, J. A., Talebian-Kiakalaieh, A., Li, H., . . . Santos, A. (2024). Elucidating Synergies of Single-Atom Catalysts in a Model Thin Film Photoelectrocatalyst to Maximize Hydrogen Evolution Reaction. Advanced Science, 11(41), 2407598-1-2407598-5.
DOI Scopus5 WoS5 Europe PMC3
2024 Cui, M., Zhu, Y., Lei, H., Liu, A., Mo, F., Ouyang, K., . . . Huang, Y. (2024). Anion–Cation Competition Chemistry for Comprehensive High‐Performance Prussian Blue Analogs Cathodes. Angewandte Chemie, 136(23).
DOI
2024 Gong, J., Shallcross, D. C., Jiao, Y., Venkatasubramanian, V., Davis, R., & Arges, C. G. (2024). Rethinking chemical engineering education. Nature Chemical Engineering, 1(2), 127-133.
DOI WoS12
2024 Chen, C., Bai, X., Jiao, Y., Zheng, Y., & Qiao, S. -Z. (2024). Non-copper metals catalyzing deep CO₂ electroreduction to hydrocarbon. Journal of Materials Chemistry A, 12(46), 31925-31931.
DOI Scopus1 WoS1
2024 Jiang, L., Bai, X., Zhi, X., Davey, K., & Jiao, Y. (2024). Advancing electrochemical N₂ reduction: interfacial electrolyte effects and operando computational approaches. EES Catalysis, 3(1), 57-79.
DOI Scopus15 WoS15
2023 Li, H., Jiao, Y., Davey, K., & Qiao, S. (2023). Data-driven Machine Learning for Understanding Surface Structures of Heterogeneous Catalysts. Angewandte Chemie International Edition, 62(9), e202216383-1-e202216383-13.
DOI Scopus168 WoS156 Europe PMC50
2023 Kong, Q., An, X., Liu, Q., Xie, L., Zhang, J., Li, Q., . . . Sun, C. (2023). Copper-based catalysts for the electrochemical reduction of carbon dioxide: progress and future prospects.. Materials horizons, 10(3), 698-721.
DOI Scopus73 WoS69 Europe PMC13
2023 Zhu, Y., Hao, J., Huang, Y., & Jiao, Y. (2023). A New Insight of Anti‐Solvent Electrolytes for Aqueous Zinc‐Ion Batteries by Molecular Modeling. Small Structures, 4(4), 1-9.
DOI Scopus40 WoS38
2023 Ran, J., Chen, L., Wang, D., Talebian Kiakalaieh, A., Jiao, Y., Adel Hamza, M., . . . Qiao, S. (2023). Atomic-Level Regulated Two-Dimensional ReSe₂ : A Universal Platform Boosting Photocatalysis. Advanced Materials, 35(19), 2210164-1-2210164-13.
DOI Scopus108 WoS106 Europe PMC29
2023 Fu, S., Lewis, D., van Eyk, P., Atanackovic, P., & Jiao, Y. (2023). Theoretical screening of single atom doping on β-Ga₂O₃ (100) for photoelectrochemical water splitting with high activity and low limiting potential. Nanoscale, 15(15), 6913-6919.
DOI Scopus10 WoS9 Europe PMC1
2023 Wang, P., Bai, X., Jin, H., Gao, X., Davey, K., Zheng, Y., . . . Qiao, S. Z. (2023). Directed Urea-to-Nitrite Electrooxidation via Tuning Intermediate Adsorption on Co, Ge Co-Doped Ni Sites. Advanced Functional Materials, 33(25), 1-10.
DOI Scopus133 WoS133
2023 Chen, L., Tang, C., Zheng, Y., Davey, K., & Jiao, Y. (2023). Triple-atom catalysts for one-step N–C–N coupling toward urea
synthesis: A DFT study. Science China Materials, 66(6), 2346-2353.
DOI Scopus37 WoS36
2023 Shen, H., Jin, H., Li, H., Wang, H., Duan, J., Jiao, Y., & Qiao, S. -Z. (2023). Acidic CO2-to-HCOOH electrolysis with industrial-level current on phase engineered tin sulfide.. Nature Communications, 14(1), 10 pages.
DOI Scopus274 WoS274 Europe PMC104
2023 Lin, J., Jiang, L., Tian, W., Yang, Y., Duan, X., Jiao, Y., . . . Wang, S. (2023). The structure-dependent mechanism of single-atom cobalt on macroporous carbon nitride in (photo-)Fenton-like reactions. Journal of Materials Chemistry A, 11(25), 13653-13664.
DOI Scopus40 WoS40
2023 Jiao, Y., & Zheng, Y. (2023). Boosting Alkaline Hydrogen Evolution Reaction through Water Structure Manipulation. Angewandte Chemie International Edition, 62(34), e202307303-1-e202307303-3.
DOI Scopus46 WoS51 Europe PMC6
2023 Li, H., Jiang, Y., Li, X., Davey, K., Zheng, Y., Jiao, Y., & Qiao, S. -Z. (2023). C₂₊ Selectivity for CO₂ Electroreduction on Oxidized Cu-Based Catalysts. Journal of the American Chemical Society, 145(26), 14335-14344.
DOI Scopus179 WoS174 Europe PMC76
2023 Jiao, Y., Li, H., Jiao, Y., & Qiao, S. -Z. (2023). Activity and Selectivity Roadmap for C-N Electro-Coupling on MXenes. J Am Chem Soc, 145(28), 15572-15580.
DOI Scopus114 WoS109 Europe PMC37
2023 Li, X., Li, H., Zhang, Z., Shi, J. Q., Jiao, Y., & Qiao, S. -Z. (2023). Active-learning accelerated computational screening of A₂B@NG catalysts for CO₂ electrochemical reduction. Nano Energy, 115, 108695-1-108695-9.
DOI Scopus13 WoS12
2023 Jiao, Y., & Zheng, Y. (2023). Boosting Alkaline Hydrogen Evolution Reaction through Water Structure Manipulation. Angewandte Chemie, 135(34), e202307303-1-e202307303-3.
DOI
2023 Hao, J., Yuan, L., Zhu, Y., Bai, X., Ye, C., Jiao, Y., & Qiao, S. (2023). Low-cost and Non-flammable Eutectic Electrolytes for Advanced Zn-I2 Batteries. Angewandte Chemie (International ed. in English), 62(39), 1-8.
DOI Scopus212 WoS209 Europe PMC77
2023 Hao, J., Yuan, L., Zhu, Y., Bai, X., Ye, C., Jiao, Y., & Qiao, S. (2023). Low‐cost and Non‐flammable Eutectic Electrolytes for Advanced Zn‐I₂ Batteries. Angewandte Chemie, 135(39), e202310284-1-e202310284-8.
DOI
2023 Cheng, J., Chen, L., Xie, X., Feng, K., Sun, H., Qin, Y., . . . Peng, Y. (2023). Proton Shuttling by Polyaniline of High Brønsted Basicity for Improved Electrocatalytic Ethylene Production from CO₂. Angewandte Chemie International Edition, 62(44), 1-11.
DOI Scopus65 WoS64 Europe PMC24
2023 Gao, X., Bai, X., Wang, P., Jiao, Y., Davey, K., Zheng, Y., & Qiao, S. -Z. (2023). Boosting urea electrooxidation on oxyanion-engineered nickel sites via inhibited water oxidation. Nature Communications, 14(1), 5842-1-5842-10.
DOI Scopus321 WoS321 Europe PMC87
2023 Cheng, J., Chen, L., Xie, X., Feng, K., Sun, H., Qin, Y., . . . Peng, Y. (2023). Proton Shuttling by Polyaniline of High Brønsted Basicity for Improved Electrocatalytic Ethylene Production from CO₂. Angewandte Chemie, 135(44), e202312113-1-e202312113-11.
DOI
2023 Zhao, Y., Li, H., Shan, J., Zhang, Z., Li, X., Shi, J. Q., . . . Li, H. (2023). Machine Learning Confirms the Formation Mechanism of a Single-Atom Catalyst via Infrared Spectroscopic Analysis. Journal of Physical Chemistry Letters, 14(49), 11058-11062.
DOI Scopus14 WoS15 Europe PMC2
2023 Brooks, G. C., Chandler, H. C., Jiao, Y., Childs, D. Z., & Haas, C. A. (2023). Predicting the population viability of an endangered amphibian under environmental and demographic uncertainty. POPULATION ECOLOGY, 66(3), 12 pages.
DOI WoS7
2022 Fu, S., Liu, X., Ran, J., & Jiao, Y. (2022). Theoretical considerations on activity of the alectrochemical CO₂ reduction on metal single-atom catalysts with asymmetrical active sites. Catalysis Today, 397-399, 574-580.
DOI Scopus11 WoS13
2022 Chen, Z., Zhao, J., Jiao, Y., Wang, T., & Yin, L. (2022). Achieving efficient N2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated Lewis pairs. Journal of Energy Chemistry, 66, 628-634.
DOI Scopus24 WoS23
2022 Wang, X., Jiao, Y., Li, L., Zheng, Y., & Qiao, S. (2022). Local environment determined reactant adsorption configuration for enhanced electrocatalytic acetone hydrogenation to propane. Angewandte Chemie International Edition, 61(5), 7 pages.
DOI Scopus62 WoS53 Europe PMC26
2022 Chen, L., Tang, C., Zheng, Y., Skúlason, E., & Jiao, Y. (2022). C₃ production from CO₂ reduction by concerted *CO trimerization on a single-atom alloy catalyst. Journal of Materials Chemistry A, 10(11), 5998-6006.
DOI Scopus44 WoS45
2022 Yee, K., Kankanamalage, U. M., Ghayesh, M. H., Jiao, Y., Hussain, S., & Amabili, M. (2022). Coupled dynamics of axially functionally graded graphene nanoplatelets-reinforced viscoelastic shear deformable beams with material and geometric imperfections. Engineering Analysis with Boundary Elements, 136, 4-36.
DOI Scopus49 WoS47
2022 Zhou, X., Shan, J., Chen, L., Xia, B. Y., Ling, T., Duan, J., . . . Qiao, S. -Z. (2022). Stabilizing Cu²⁺ ions by solid solutions to promote CO₂ electroreduction to methane. Journal of the American Chemical Society, 144(5), 2079-2084.
DOI Scopus486 WoS478 Europe PMC199
2022 Zhang, Z. S., Zhu, Y., Yu, M., Jiao, Y., & Huang, Y. (2022). Aqueous organic anode//iodine cascadable battery with ultra-long lifespan, high energy and power density.
DOI
2022 Zhu, W., Wang, P., Chen, Z., Xu, C., Jiao, Y., Li, M., & Huang, Y. (2022). A one-pot self-assembled AgNW aerogel electrode with ultra-high electric conductivity for intrinsically 500% super-stretchable high-performance Zn-Ag batteries. JOURNAL OF MATERIALS CHEMISTRY A, 10(19), 10780-10789.
DOI Scopus25 WoS23
2022 Zhang, Y., Gu, Z., Yun, S., Luo, K., Bi, J., Jiao, Y., & Zhang, H. (2022). Green synthesis of DOX-loaded hollow MIL-100 (Fe) nanoparticles for anticancer treatment by targeting mitochondria.. Nanotechnology, 33(34), 1-13.
DOI Scopus9 WoS9 Europe PMC2
2022 Jiao, Y., Deng, L., Liu, D., Jiao, Y., Wang, D., & Chen, J. -F. (2022). Process intensification for Fe/Mn-nitrogen-doped carbon-based catalysts toward efficient oxygen reduction reaction of Zn-air battery. Chemical Engineering Science, 259, 9 pages.
DOI Scopus13 WoS12
2022 Chen, L., Tang, C., Zheng, Y., Ostrikov, K., & Jiao, Y. (2022). Carbene Ligands Enabled C-N Coupling for Methylamine Electrosynthesis: A Computational Study. Energy and Fuels, 36(13), 7213-7218.
DOI Scopus15 WoS14
2022 Ling, W., Yang, Q., Mo, F., Lei, H., Wang, J., Jiao, Y., . . . Huang, Y. (2022). An ultrahigh rate dendrite-free Zn metal deposition/striping enabled by silver nanowire aerogel with optimal atomic affinity with Zn. Energy Storage Materials, 51, 453-464.
DOI Scopus65 WoS61
2022 Zhang, Y., Gu, Z., Bi, J., & Jiao, Y. (2022). Molybdenum-iron-cobalt oxyhydroxide with rich oxygen vacancies for the oxygen evolution reaction.. Nanoscale, 14(30), 10873-10879.
DOI Scopus23 WoS23 Europe PMC5
2022 Zheng, M., Wang, P., Zhi, X., Yang, K., Jiao, Y., Duan, J., . . . Qiao, S. -Z. (2022). Electrocatalytic CO₂-to-C₂₊ with Ampere-Level Current on Heteroatom-Engineered Copper via Tuning *CO Intermediate Coverage. Journal of the American Chemical Society, 144(32), 14936-14944.
DOI Scopus424 WoS421 Europe PMC191
2022 Yang, B., Chen, L., Xue, S., Sun, H., Feng, K., Chen, Y., . . . Peng, Y. (2022). Electrocatalytic CO₂ reduction to alcohols by modulating the molecular geometry and Cu coordination in bicentric copper complexes. Nature Communications, 13(1), 5122-1-5122-13.
DOI Scopus180 WoS166 Europe PMC70
2022 Liu, X., Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. -Z. (2022). Mechanism of C-N bonds formation in electrocatalytic urea production revealed by ab initio molecular dynamics simulation.. Nature communications, 13(1), 1-9.
DOI Scopus208 WoS203 Europe PMC86
2022 Zhang, Z., Zhu, Y., Yu, M., Jiao, Y., & Huang, Y. (2022). Development of long lifespan high-energy aqueous organicIIiodine rechargeable batteries.. Nat Commun, 13(1), 1-11.
DOI Scopus70 WoS71 Europe PMC30
2022 Shan, J., Ye, C., Zhu, C., Dong, J., Xu, W., Chen, L., . . . Qiao, S. -Z. (2022). Integrating Interactive Noble Metal Single-Atom Catalysts into Transition Metal Oxide Lattices.. Journal of the American Chemical Society, 144(50), 23214-23222.
DOI Scopus115 WoS109 Europe PMC49
2021 Xu, C., Zhi, X., Vasileff, A., Wang, D., Jin, B., Jiao, Y., . . . Qiao, S. (2021). Highly selective two-electron electrocatalytic CO₂ reduction on single‐atom Cu catalysts. Small Structures, 2(1), 1-7.
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2021 Chen, L., Tang, C., Jiao, Y., & Qiao, S. (2021). Anomalous C‐C coupling on under‐coordinated Cu(111) – a case study of Cu nanopyramids for CO2 reduction reaction by molecular modelling. ChemSusChem: chemistry and sustainability, energy and materials, 14(2), 671-678.
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2021 Wan, H., Jiao, Y., Bagger, A., & Rossmeisl, J. (2021). Three-dimensional carbon electrocatalysts for CO₂ or CO reduction. ACS Catalysis, 11(2), 533-541.
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2021 Zhi, X., Jiao, Y., Zheng, Y., Davey, K., & Qiao, S. -Z. (2021). Directing the selectivity of CO₂ electroreduction to target C₂ products via non-metal doping on Cu surfaces. Journal of Materials Chemistry A, 9(10), 6345-6351.
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2021 Shan, J., Ye, C., Chen, S., Sun, T., Jiao, Y., Liu, L., . . . Qiao, S. -Z. (2021). Short-range ordered iridium single atoms integrated into cobalt oxide spinel structure for highly efficient electrocatalytic water oxidation. Journal of the American Chemical Society, 143(13), 5201-5211.
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2021 Qu, Y., Wang, L., Yin, S., Zhang, B., Jiao, Y., Sun, Y., . . . Bi, J. (2021). Stability of Engineered Ferritin Nanovaccines Investigated by Combined Molecular Simulation and Experiments. J Phys Chem B, 125(15), 3830-3842.
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2021 Zhou, X., Dong, J., Zhu, Y., Liu, L., Jiao, Y., Li, H., . . . Qiao, S. (2021). Molecular scalpel to chemically cleave metal-organic frameworks for induced phase transition. Journal of the American Chemical Society, 142(17), 6681-6690.
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2021 Fan, Z., Zhang, C., Hua, W., Li, H., Jiao, Y., Xia, J., . . . Yang, Q. -H. (2021). Enhanced chemical trapping and catalytic conversion of polysulfides by diatomite/MXene hybrid interlayer for stable Li-S batteries. Journal of Energy Chemistry, 62, 590-598.
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2021 Tang, C., Chen, L., Li, H., Li, L., Jiao, Y., Zheng, Y., . . . Qiao, S. (2021). Tailoring acidic oxygen reduction selectivity on single-atom catalysts via modification of first and second coordination spheres. Journal of the American Chemical Society, 43(20), 4819-4827.
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2021 Chen, L., Tang, C., Davey, K., Zheng, Y., Jiao, Y., & Qiao, S. -Z. (2021). Spatial-confinement induced electroreduction of CO and CO₂ to diols on densely-arrayed Cu nanopyramids. Chemical Science, 23(23), 8086-8087.
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2021 Meng, R., Zhang, C., Lu, Z., Xie, X., Liu, Y., Tang, Q., . . . Yang, Q. H. (2021). An Oxygenophilic Atomic Dispersed Fe-N-C Catalyst for Lean-Oxygen Seawater Batteries. Advanced Energy Materials, 11(23), 9 pages.
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2021 Zhi, X., Vasileff, A., Zheng, Y., Jiao, Y., & Qiao, S. (2021). Role of oxygen-bound reaction intermediates in selective electrochemical CO₂ reduction. Energy and Environmental Science, 14(7), 3912-3930.
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2021 Xiong, L., Zhang, X., Chen, L., Deng, Z., Han, S., Chen, Y., . . . Peng, Y. (2021). Geometric modulation of local CO Flux in Ag@Cu₂ O nanoreactors for steering the CO₂ RR pathway toward high-efficacy methane production. Adv Mater, 33(32), e2101741-1-e2101741-11.
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2021 Yao, D., Tang, C., Vasileff, A., Zhi, X., Jiao, Y., & Qiao, S. -Z. (2021). The controllable reconstruction of Bi‐MOFs for electrochemical CO₂ reduction through electrolyte and potential mediation. Angewandte Chemie International Edition, 60(33), 18178-18184.
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2021 Hua, W., Li, H., Pei, C., Xia, J., Sun, Y., Zhang, C., . . . Yang, Q. -H. (2021). Selective Catalysis Remedies Polysulfide Shuttling in Lithium-Sulfur Batteries. Adv Mater, 33(38), 2101006-1-2101006-12.
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2021 Zhi, X., Jiao, Y., Zheng, Y., & Qiao, S. -Z. (2021). Key to C₂ production: selective C-C coupling for electrochemical CO₂ reduction on copper alloy surfaces. Chemical Communications, 57(75), 9526-9529.
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2021 Yao, D., Tang, C., Vasileff, A., Zhi, X., Jiao, Y., & Qiao, S. (2021). The Controllable Reconstruction of Bi‐MOFs for Electrochemical CO₂ Reduction through Electrolyte and Potential Mediation. Angewandte Chemie, 133(33), 18326-18332.
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2021 Hao, J., Yuan, L., Johannessen, B., Zhu, Y., Jiao, Y., Ye, C., . . . Qiao, S. (2021). Studying conversion mechanism to broaden cathode options in aqueous Zn-ion batteries. Angewandte Chemie International Edition, 60(47), 25114-25121.
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2021 Li, H., Meng, R., Guo, Y., Chen, B., Jiao, Y., Ye, C., . . . Qiao, S. (2021). Reversible electrochemical oxidation of sulfur in ionic liquid for high-voltage Al-S batteries. Nature Communications, 12(1), 5714-1-5714-8.
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2021 Ye, C., Shan, J., Chao, D., Liang, P., Jiao, Y., Hao, J., . . . Qiao, S. (2021). Catalytic oxidation of K₂S via atomic Co and pyridinic N synergy in potassium–sulfur batteries. Journal of the American Chemical Society, 143(41), 16902-16907.
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2021 Hao, J., Yuan, L., Johannessen, B., Zhu, Y., Jiao, Y., Ye, C., . . . Qiao, S. (2021). Studying the Conversion Mechanism to Broaden Cathode Options in Aqueous Zinc‐Ion Batteries. Angewandte Chemie, 133(47), 25318-25325.
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2021 Sun, H., Chen, L., Xiong, L., Feng, K., Chen, Y., Zhang, X., . . . Peng, Y. (2021). Promoting ethylene production over a wide potential window on Cu crystallites induced and stabilized via current shock and charge delocalization. Nature Communications, 12(1), 6823-1-6823-11.
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2021 Zhang, H. -P., Zhang, R., Sun, C., Jiao, Y., & Zhang, Y. (2021). CO2 reduction to CH4 on Cu-doped phosphorene: a first-principles study. Nanoscale, 13(48), 20541-20549.
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2021 Ye, C., Jin, H., Shan, J., Jiao, Y., Li, H., Gu, Q., . . . Qiao, S. -Z. (2021). A Mo₅N₆ electrocatalyst for efficient Na₂S electrodeposition in room-temperature sodium-sulfur batteries. Nature Communications, 12(1), 7195-1-7195-11.
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2021 Xia, X., Shi, B., Wang, L., Liu, Y., Zou, Y., Zhou, Y., . . . Song, C. -P. (2021). From mouse to mouse-ear cress: Nanomaterials as vehicles in plant biotechnology.. Exploration (Beijing), 1(1), 9-20.
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2020 Zhao, Y., Jin, B., Vasileff, A., Shi, B., Jiao, Y., & Qiao, S. (2020). The ampoule method: a pathway towards controllable synthesis of electrocatalysts for water electrolysis. Chemistry - A European Journal, 26(18), 3898-3905.
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2020 Zhang, H. P., Kou, L., Jiao, Y., Du, A., Tang, Y., & Ni, Y. (2020). Strain engineering of selective chemical adsorption on monolayer black phosphorous. Applied Surface Science, 503, 6 pages.
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2020 Li, H., Chao, D., Chen, B., Chen, X., Chuah, C., Tang, Y., . . . Qiao, S. -Z. (2020). Revealing principles for design of lean-electrolyte lithium metal anode via In situ spectroscopy. Journal of the American Chemical Society, 142(4), 2012-2022.
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2020 Liu, X., Jiao, Y., Zheng, Y., & Qiao, S. Z. (2020). Isolated boron sites for electroreduction of dinitrogen to ammonia. ACS Catalysis, 10(3), 1847-1854.
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2020 Ye, C., Jiao, Y., Chao, D., Ling, T., Shan, J., Zhang, B., . . . Qiao, S. -Z. (2020). Electron-state confinement of polysulfides for highly stable sodium-sulfur batteries. Advanced Materials, 32(12), 1907557-1-1907557-8.
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2020 Zhi, X., Jiao, Y., Zheng, Y., Vasileff, A., & Qiao, S. Z. (2020). Selectivity roadmap for electrochemical CO₂ reduction on copper-based alloy catalysts. Nano Energy, 71, 104601-1-104601-8.
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2020 Tang, C., Jiao, Y., Shi, B., Liu, J. -N., Xie, Z., Chen, X., . . . Qiao, S. (2020). Coordination tunes selectivity: two-electron oxygen reduction on high-loading Molybdenum single-atom catalysts. Angewandte Chemie International Edition, 59(23), 9171-9176.
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2020 Chen, Z., Chen, Z., Liu, X., Zhao, J., Jiao, Y., Yin, L., & Yin, L. (2020). Strain effect on the catalytic activities of B- And B/N-doped black phosphorene for electrochemical conversion of CO to valuable chemicals. Journal of Materials Chemistry A, 8(24), 11986-11995.
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2020 Xie, F., Zhang, L., Jiao, Y., Vasileff, A., Chao, D., & Qiao, S. -Z. (2020). Hydrogenated dual-shell sodium titanate cubes for sodium-ion batteries with optimized ion transportation. Journal of Materials Chemistry A, 8(31), 15829-15833.
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2020 Yang, Y., Wang, R., Yang, L., Jiao, Y., & Ling, T. (2020). Two dimensional electrocatalyst engineering via heteroatom doping for electrocatalytic nitrogen reduction. Chemical Communications, 56(91), 14154-14162.
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2020 Sun, H., Chen, L., Lian, Y., Yang, W., Lin, L., Chen, Y., . . . Qiao, S. (2020). Topotactically Transformed Polygonal Mesopores on Ternary Layered Double Hydroxides Exposing Under‐Coordinated Metal Centers for Accelerated Water Dissociation. Advanced Materials, 32(52), 2006784-1-2006784-9.
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2020 Hua, W., Li, H., Pei, C., Xia, J., Sun, Y., Zhang, C., . . . Yang, Q. -H. (2020). Selective catalysis remedies polysulfide shuttling in lithium-sulfur batteries.
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2020 Tang, C., Jiao, Y., Shi, B., Liu, J. N., Xie, Z., Chen, X., . . . Qiao, S. Z. (2020). Coordination Tunes Selectivity: Two-Electron Oxygen Reduction on High-Loading Molybdenum Single-Atom Catalysts. Angewandte Chemie, 132(23), 9256-9261.
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2019 Wang, X., Vasileff, A., Jiao, Y., Zheng, Y., & Qiao, S. (2019). Electronic and structural engineering of carbon-based metal-free electrocatalysts for water splitting. Advanced Materials, 31(13), 1803625.
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2019 Zhi, X., Jiao, Y., Zheng, Y., & Qiao, S. Z. (2019). Impact of interfacial electron transfer on electrochemical CO₂ reduction on graphitic carbon nitride/doped graphene. Small, 15(10), 1804224-1-1804224-7.
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2019 Liu, X., Jiao, Y., Zheng, Y., Davey, K., & Qiao, S. Z. (2019). A computational study on Pt and Ru dimers supported on graphene for the hydrogen evolution reaction: new insight into the alkaline mechanism. Journal of Materials Chemistry A, 7(8), 3648-3654.
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2019 Chen, P., Jiao, Y., Zhu, Y. H., Chen, S. M., Song, L., Jaroniec, M., . . . Qiao, S. Z. (2019). Syngas production from electrocatalytic CO₂ reduction with high energetic efficiency and current density. Journal of Materials Chemistry A, 7(13), 7675-7682.
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2019 Zheng, Y., Vasileff, A., Zhou, X., Jiao, Y., Jaroniec, M., & Qiao, S. Z. (2019). Understanding the roadmap for electrochemical reduction of CO₂ to multi-carbon oxygenates and hydrocarbons on copper-based catalysts. Journal of the American Chemical Society, 141(19), 7646-7659.
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2019 Zhao, Y., Jin, B., Vasileff, A., Jiao, Y., & Qiao, S. Z. (2019). Interfacial nickel nitride/sulfide as a bifunctional electrode for highly efficient overall water/seawater electrolysis. Journal of Materials Chemistry A, 7(14), 8117-8121.
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2019 Jin, H., Liu, X., Chen, S., Vasileff, A., Li, L., Jiao, Y., . . . Qiao, S. Z. (2019). Heteroatom-doped transition metal electrocatalysts for hydrogen evolution reaction. ACS Energy Letters, 4(4), 805-810.
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2019 Liu, X., Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2019). Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts. Journal of the American Chemical Society, 141(24), 9664-9672.
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2019 You, B., Zhang, Y., Jiao, Y., Davey, K., & Qiao, S. Z. (2019). Negative charging of transition-metal phosphides via strong electronic coupling for destabilization of alkaline water. Angewandte Chemie International Edition, 58(34), 11796-11800.
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2019 Zhao, Y., Jin, B., Vasileff, A., Jiao, Y., & Qiao, S. -Z. (2019). Contemporaneous oxidation state manipulation to accelerate intermediate desorption for overall water electrolysis. Chemical Communications, 55(57), 8313-8316.
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2019 Zhao, Y., Ling, T., Chen, S., Jin, B., Vasileff, A., Jiao, Y., . . . Qiao, S. Z. (2019). Non-metal single-iodine-atom electrocatalysts for the hydrogen evolution reaction. Angewandte Chemie International Edition, 58(35), 12252-12257.
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2019 Guo, C., Jiao, Y., Zheng, Y., Luo, J., Davey, K., & Qiao, S. Z. (2019). Intermediate modulation on noble metal hybridized to 2D metal-organic framework for accelerated water electrocatalysis. Chem, 5(9), 2429-2441.
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2019 Vasileff, A., Zhi, X., Xu, C., Ge, L., Jiao, Y., Zheng, Y., & Qiao, S. Z. (2019). Selectivity control for electrochemical CO2 reduction by charge redistribution on the surface of copper alloys. ACS Catalysis, 9(10), 9411-9417.
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2019 Zhang, B. -W., Jiao, Y., Chao, D. -L., Ye, C., Wang, Y. -X., Davey, K., . . . Qiao, S. -Z. (2019). Targeted synergy between adjacent co atoms on graphene oxide as an efficient new electrocatalyst for Li-CO2 batteries. Advanced Functional Materials, 29(49), 1904206-1-1904206-7.
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2018 Zheng, Y., Jiao, Y., Qiao, S., & Vasileff, A. (2018). The hydrogen evolution reaction in alkaline solution: from theory, single crystal models, to practical electrocatalysts. Angewandte Chemie, 57(26), 7568-7579.
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2018 Jin, H., Guo, C., Liu, X., Liu, J., Vasileff, A., Jiao, Y., . . . Qiao, S. -Z. (2018). Emerging two-dimensional nanomaterials for electrocatalysis. Chemical Reviews, 118(13), 6337-6408.
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2018 Liu, J., Zheng, Y., Jiao, Y., Wang, Z., Lu, Z., Vasileff, A., & Qiao, S. (2018). NiO as a bifunctional promoter for RuO₂ toward superior overall water splitting. Small, 14(16), 1704073-1-1704073-10.
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2018 Vasileff, A., Xu, C., Jiao, Y., Zheng, Y., & Qiao, S. (2018). Surface and interface engineering in copper-based bimetallic materials for selective CO₂ electroreduction. Chem, 4(8), 1809-1831.
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2018 Wang, X., Zhu, Y., Vasileff, A., Jiao, Y., Chen, S., Song, L., . . . Qiao, S. -Z. (2018). Strain effect in bimetallic electrocatalysts in the hydrogen evolution reaction. ACS Energy Letters, 3(5), 1198-1204.
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2018 Zhao, Y., Jin, B., Zheng, Y., Jin, H., Jiao, Y., & Qiao, S. (2018). Charge state manipulation of cobalt selenide catalyst for overall seawater electrolysis. Advanced Energy Materials, 8(29), 1801926-1-1801926-9.
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2018 Jin, H., Liu, X., Jiao, Y., Vasileff, A., Zheng, Y., & Qiao, S. (2018). Constructing tunable dual active sites on two-dimensional C₃N₄@MoN hybrid for electrocatalytic hydrogen evolution. Nano Energy, 53, 690-697.
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2018 Ye, C., Jiao, Y., Jin, H., Slattery, A., Davey, K., Wang, H., & Qiao, S. (2018). 2D MoN-VN heterostructure to regulate polysulfides for highly efficient lithium-sulfur batteries. Angewandte Chemie International Edition, 57(51), 16703-16707.
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2018 Qu, K., Wang, Y., Vasileff, A., Jiao, Y., Chen, H., & Zheng, Y. (2018). Polydopamine-inspired nanomaterials for energy conversion and storage. Journal of Materials Chemistry A, 6(44), 21827-21846.
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2018 Jin, H., Liu, X., Vasileff, A., Jiao, Y., Zhao, Y., Zheng, Y., & Qiao, S. (2018). Single-crystal nitrogen-rich two-dimensional Mo₅N₆ nanosheets for efficient and stable seawater splitting. ACS Nano, 12(12), 12761-12769.
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2018 Ye, C., Jiao, Y., Jin, H., Slattery, A. D., Davey, K., Wang, H., & Qiao, S. Z. (2018). 2D MoN-VN Heterostructure ToRegulate Polysulfides for Highly Efficient Lithium-Sulfur Batteries. Angewandte Chemie - International Edition, 130(51), 16945-16949.
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2017 Qu, K., Zheng, Y., Jiao, Y., Zhang, X., Dai, S., & Qiao, S. (2017). Polydopamine-inspired, dual heteroatom-doped carbon nanotubes for highly efficient overall water splitting. Advanced Energy Materials, 7(9), 1602068-1-1602068-8.
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2017 Zheng, Y., Jiao, Y., Zhu, Y., Cai, Q., Vasileff, A., Li, L., . . . Qiao, S. (2017). Molecule-level g-C₃N₄ coordinated transition metals as a new class of electrocatalysts for oxygen electrode reactions. Journal of the American Chemical Society, 139(9), 3336-3339.
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2017 Ling, T., Yan, D. -Y., Wang, H., Jiao, Y., Hu, Z., Zheng, Y., . . . Qiao, S. -Z. (2017). Activating cobalt(II) oxide nanorods for efficient electrocatalysis by strain engineering. Nature communications, 8(1), 1-7.
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2017 Jiao, Y., Zheng, Y., Chen, P., Jaroniec, M., & Qiao, S. (2017). Molecular scaffolding strategy with synergistic active centers to facilitate electrocatalytic CO₂ reduction to hydrocarbon/alcohol. Journal of the American Chemical Society, 139(49), 18093-18100.
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2016 Gao, G., Jiao, Y., Waclawik, E., & Du, A. (2016). Single atom (Pd/Pt) supported on graphitic carbon nitride as an efficient photocatalyst for visible-light reduction of carbon dioxide. Journal of the American Chemical Society, 138(19), 6292-6297.
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2016 Ling, T., Yan, D., Jiao, Y., Wang, H., Zheng, Y., Zheng, X., . . . Qiao, S. (2016). Engineering surface atomic structure of single-crystal cobalt (II) oxide nanorods for superior electrocatalysis. Nature Communications, 7(1), 1-8.
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2016 Zheng, Y., Jiao, Y., Zhu, Y., Li, L. H., Han, Y., Chen, Y., . . . Qiao, S. Z. (2016). High electrocatalytic hydrogen evolution activity of an anomalous ruthenium catalyst. Journal of the American Chemical Society, 138(49), 16174-16181.
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2016 Jiao, Y., Zheng, Y., Davey, K., & Qiao, S. (2016). Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped graphene. Nature Energy, 1(10), 16130-1-16130-9.
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2015 Zheng, Y., Jiao, Y., Jaroniec, M., & Qiao, S. (2015). Advancing the electrochemistry of the hydrogen-evolution reaction through combining experiment and theory. Angewandte Chemie International Edition, 54(1), 52-65.
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2015 Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. (2015). Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions. Chemical Society Reviews, 44(8), 2060-2086.
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2015 Jiao, Y., Du, A., Smith, S., Zhu, Z., & Qiao, S. (2015). H₂ purification by functionalized graphdiyne-role of nitrogen doping. Journal of Materials Chemistry A, 3(13), 6767-6771.
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2015 Zheng, Y., Jiao, Y., & Qiao, S. (2015). Engineering of carbon-based electrocatalysts for emerging energy conversion: from fundamentality to functionality. Advanced Materials, 27(36), 5372-5378.
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2014 Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. (2014). Origin of the electrocatalytic oxygen reduction activity of graphene-based catalysts: a roadmap to achieve the best performance. American Chemical Society Journal, 136(11), 4394-4403.
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2014 Zheng, Y., Jiao, Y., Zhu, Y., Li, L., Han, Y., Chen, Y., . . . Qiao, S. (2014). Hydrogen evolution by a metal-free electrocatalyst. Nature Communications, 5(1), 3783-1-3783-8.
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2014 Zheng, Y., Jiao, Y., Li, L., Xing, T., Chen, Y., Jaroniec, M., & Qiao, S. (2014). Toward design of synergistically active carbon-based catalysts for electrocatalytic hydrogen evolution. ACS Nano, 8(5), 5290-5296.
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2014 Jiao, Y., Zheng, Y., Smith, S., Du, A., & Zhu, Z. (2014). Electrocatalytically switchable CO₂ capture: first principle computational exploration of carbon nanotubes with pyridinic nitrogen. ChemSusChem, 7(2), 435-441.
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2013 Zheng, Y., Jiao, Y., Ge, L., Jaroniec, M., & Qiao, S. (2013). Two-step boron and nitrogen doping in graphene for enhanced synergistic catalysis. Angewandte Chemie-International Edition, 52(11), 3110-3116.
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2013 Jiao, Y., Du, A., Hankel, M., & Smith, S. (2013). Modelling carbon membranes for gas and isotope separation. Physical Chemistry Chemical Physics, 15(14), 4832-4843.
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2012 Zheng, Y., Jiao, Y., Jaroniec, M., Jin, Y., & Qiao, S. (2012). Nanostructured metal-free electrochemical catalysts for highly efficient oxygen reduction. Small, 8(23), 3550-3566.
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2012 Liang, J., Jiao, Y., Jaroniec, M., & Qiao, S. (2012). Sulfur and nitrogen dual-doped mesoporous graphene electrocatalyst for oxygen reduction with synergistically enhanced performance. Angewandte Chemie-International Edition, 51(46), 11496-11500.
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2012 Du, A., Sanvito, S., Li, Z., Wang, D., Jiao, Y., Liao, T., . . . Smith, S. (2012). Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response. Journal of the American Chemical Society, 134(9), 4393-4397.
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2012 Hankel, M., Jiao, Y., Du, A., Gray, S., & Smith, S. (2012). Asymmetrically decorated, doped porous graphene as an effective membrane for hydrogen isotope separation. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 116(11), 6672-6676.
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2011 Zheng, Y., Jiao, Y., Chen, J., Liu, J., Liang, J., Du, A., . . . Qiao, S. (2011). Nanoporous graphitic-C₃N₄@carbon metal-free electrocatalysts for highly efficient oxygen reduction. Journal of the American Chemical Society, 133(50), 20116-20119.
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2011 Jiao, Y., Du, A., Hankel, M., Zhu, Z., Rudolph, V., & Smith, S. (2011). Graphdiyne: a versatile nanomaterial for electronics and hydrogen purification. Chemical Communications, 47(43), 11843-11845.
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2010 Jiao, Y., Du, A., Zhu, Z., Rudolph, V., & Smith, S. (2010). A density functional theory study of CO<inf>2</inf> and N<inf>2</inf> adsorption on aluminium nitride single walled nanotubes. Journal of Materials Chemistry, 20(46), 10426-10430.
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2010 Jiao, Y., Du, A., Zhu, Z., Rudolph, V., & Smith, S. (2010). Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory. Journal of Physical Chemistry C, 114(17), 7846-7849.
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2007 Yan, J., Jiao, Y., Jiao, F., Stuart, J., Donahue, L. R., Beamer, W. G., . . . Gu, W. (2007). Effects of carbonic anhydrase VIII deficiency on cerebellar gene expression profiles in the <i>wdl</i> mouse. NEUROSCIENCE LETTERS, 413(3), 196-201.
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Year Citation
2024 Pho, H. Q., Jiao, Y., Jiao, Y., Sun, W., Tansu, N., Wojnicki, M., . . . Hessel, V. (2024). Quantum Materials. In Ullmann S Encyclopedia of Industrial Chemistry (pp. 1-22). Wiley.
DOI Scopus2
2013 Jiao, Y., Hankel, M., Du, A., & Smith, S. (2013). Porous Graphene and Nanomeshes. In D. -E. Jiang, & Z. Chen (Eds.), Graphene Chemistry: Theoretical Perspectives (pp. 129-151). Chichester: Wiley.
DOI Scopus3 WoS2

Year Citation
2025 Qu, Y., Yang, J., Chen, W., Jiao, Y., Yang, L., & Ma, C. (2025). Enhancing Chemistry-Domain Scientific Paper Summarization by Knowledge Graphs. In Proceedings of the 20th International Conference Advanced Data Mining and Applications, Part II (ADMA 2024), as published in Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence) Vol. 15388 (pp. 319-334). Singapore: Springer Nature.
DOI
2022 Yee, K., Kankanamalage, U., Ghayesh, M., & Jiao, Y. (2022). Vibration analysis of elastically supported graphene strengthened beams. In The First International Conference on Mechanical System Dynamics Vol. 2022 (pp. 1-6). Online: IEEE.
DOI
2021 Yee, K., Ghayesh, M., & Jiao, Y. (2021). Vibrations of axially functionally graded graphene-nanoplatelets- reinforced Euler-Bernoulli beams. In ACAM10: 10th Australasian Congress on Applied Mechanics Vol. 1 (pp. 442-451). Online: Engineers Australia.
DOI
2011 Jiao, Y., Du, A., Zhu, Z., Rudolph, V., Lu, G., & Smith, S. (2011). A density functional theory study on CO<inf>2</inf> capture and activation by graphene-like boron nitride with boron vacancy. In Catalysis Today Vol. 175 (pp. 271-275). Beijing, PEOPLES R CHINA: ELSEVIER SCIENCE BV.
DOI Scopus92 WoS89

Year Citation
2014 Qiao, S. Z., Zheng, Y., & Jiao, Y. (2014). Co-doped graphene metal-free electrocatalysts for key energy conversion processes. Poster session presented at the meeting of ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. CA, San Francisco: AMER CHEMICAL SOC.

Year Citation
2026 Zhao, Z., Zhao, Y., Jiao, Y., Abell, A., Law, C., & Santos, A. (2026). Unravelling Support-Dependent Photoelectrocatalytic Activity of High-Valence Ir Single Atoms on TiO2 Nanofilms.
DOI
  • DP250104259. CO2 to Propylene through Electrocatalyst and Electrolyte Engineering.  ARC - Discovery Projects. Lead CI. $618,299.00. 2025 - 2028.
  • IC240100012. ARC Training Centre in Current and Emergent Quantum Technologies (CE-QuTech). CI. $4,869,032.00. 2025 - 2029.
  • LE240100129. State-of-the-art atomic force microscopy facilities for South Australia. CI. $530,721.00. 2024.
  • CE230100032. ARC Centre of Excellence for Carbon Science and Innovation. Program 2 Leader. $35,000,000. 2023-2030.
  • LE230100113. Cryogenic Near-Field Imaging and Spectroscopy Facility at the 10-nm-Scale. ARC Linkage Infrastructure, Equipment and Facilities. CI. $909,754. 2023.
  • FT190100636. Develop Catalyst Materials for Future Fuels by Operando Computation. ARC Future Fellowship. Sole CI. $767,158. 2020-2023
  • DP190103472. Design of Electrocatalysts for Hydrogen-Free Ammonia Production under Ambient Conditions. ARC - Discovery Projects. Lead CI. $350,000. 2019 - 2023
  • FND000164. Density Functional Theory aided material design for solar-fuel generation, University of Adelaide - Research Fellowships Scheme. Sole CI. $120,000.00. 2018
  • ENG 1003 Programming (MATLAB/Excel)
  • CHEM ENG 7102/MAT ENG 7102 Computation for Materials Engineering
  • CHEM ENG 1011 Introduction to Process Modelling
  • CHEM ENG 3026 Unit Operation

Date Role Research Topic Program Degree Type Student Load Student Name
2026 Principal Supervisor Data-Driven Machine Learning Framework for Accelerating C3 Formation Mechanisms in CO2 Electroreduction Doctor of Philosophy Doctorate Full Time Mr Haoran Wei
2026 Co-Supervisor Multiscale Simulation and Interface Engineering of Cu-based Catalysts for Efficient Electrocatalytic CO2 Reduction to C2 Products Doctor of Philosophy Doctorate Full Time Miss Kexin Guan
2025 Principal Supervisor Ab Initio Molecular Dynamics for Simulating Local Environments for CO2 Reduction to Methanol Master of Philosophy Master Full Time Mx Xinrui Xiao
2025 Co-Supervisor Alumina Refineries Next Generation Transition (AlumiNEXT) Project Alumina Calcination Doctor of Philosophy Doctorate Full Time Ms Van Le Hoang
2025 Principal Supervisor Data-driven development of transition metal/carbon nanocomposite electrocatalysts for C3 chemical production Doctor of Philosophy Doctorate Full Time Zhuo Ma
2024 Principal Supervisor First-principles Simulations on Catalysts and Electrolytes for Electrochemical Mechanism Doctor of Philosophy Doctorate Full Time Ms Peiqi Qiu
2024 Co-Supervisor Regulation on photocatalyst for key catalytic Reaction Doctor of Philosophy Doctorate Full Time Mr Jaenudin Ridwan
2024 Principal Supervisor Data-driven Machine-learning Assisted Design of Electrocatalysts for Green C2 Chemical Production Doctor of Philosophy Doctorate Full Time Mr Zhen Tan
2024 Principal Supervisor Al-Driven Simulation of Catalytic Reactions at Electrode Interface Doctor of Philosophy Doctorate Full Time Mr Yanzhang Zhao
2022 Co-Supervisor Synthesizing ultra-wide bandgap semiconductor materials using plasma-assisted Atomic Layer Deposition (ALD) for next generation quantum and power devices. Doctor of Philosophy Doctorate Part Time Gary Lim
2021 Co-Supervisor iPhD Project: Upscaling Atomic Layer Etching from the Bench to Full Fabrication Doctor of Philosophy Doctorate Full Time Miss Xiting Zhou
2021 Principal Supervisor Theoretical Studies and Computational approaches to Electrochemical Nitrogen Reduction Reaction Doctor of Philosophy Doctorate Full Time Miss Lin Jiang

Date Role Research Topic Program Degree Type Student Load Student Name
2022 - 2025 Principal Supervisor Simulation-Informed Electrolyte Design for Stable Zinc Anodes in Advanced Aqueous Zinc-ion Batteries Doctor of Philosophy Doctorate Full Time Mr Yilong Zhu
2021 - 2025 Principal Supervisor Machine learning assisted multi-metallic electrocatalysts design Doctor of Philosophy Doctorate Full Time Mr Yiran Jiao
2021 - 2024 Principal Supervisor Insights for Electrocatalytic Coupling of Small Molecules by Density Functional Theory (DFT) Simulation Doctor of Philosophy Doctorate Full Time Dr Ling Chen
2021 - 2025 Principal Supervisor Design of Gallium Oxide based Materials for Selective and Efficient Solar-Driven Water Splitting Doctor of Philosophy Doctorate Full Time Miss Sijia Fu
2021 - 2026 Co-Supervisor Experimental and molecular dynamics investigation of inductively coupled plasma etching of ß-Ga2O3 Doctor of Philosophy Doctorate Full Time Miss Xiting Zhou
2019 - 2021 Principal Supervisor Design of g-C3N4 Based Electrocatalysts for CO2 Reduction to Ethylene by Molecular Modelling Master of Philosophy Master Full Time Miss Sijia Fu
2018 - 2021 Co-Supervisor Hepatitis B core (HBc) virus like particle (VLP) as a platform for innovation of chimeric adjuvant-free VLP vaccines targeting oncoviruses Doctor of Philosophy Doctorate Full Time Mr Bingyang Zhang
2017 - 2021 Co-Supervisor Computational Design of Catalysts for Electrochemical Hydrogen Evolution and Nitrogen Reduction Doctor of Philosophy Doctorate Full Time Mr Xin Liu
2017 - 2021 Co-Supervisor Directing Selectivity of Carbon Dioxide Reduction Reaction via Heteroatom Doping Doctor of Philosophy Doctorate Full Time Dr Xing Zhi
2017 - 2022 Principal Supervisor Development of Functional Iron-based Nanomaterials for Biomedical and Energy Conversion Applications Doctor of Philosophy Doctorate Part Time Mr Yechuan Zhang
2017 - 2018 Co-Supervisor Advanced Nano-Array Catalysts for Electrochemical Energy Conversion Reactions Doctor of Philosophy Doctorate Full Time Mr Jinlong Liu
2017 - 2019 Co-Supervisor Synthesis of Advanced Electrocatalysts via the Ampoule Method for Water Electrolysis Doctor of Philosophy Doctorate Full Time Mr Yongqiang Zhao

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