PolyU-Adelaide University Bilateral Workshop - Advanced Catalysis, Energy Conversion and Storage
Chairman
Dean, Faculty of Science
Chair Professor of
Chemical Technology,
Department of Applied Biology and Chemical
Technology,
The Hong Kong Polytechnic University
Co-Chairman
Dean, School of Chemical Engineering,
College of Engineering and Information Technology,
Adelaide University
Co-Chairman
Chair Professor,
Department of Applied Biology and Chemical Technology,
The Hong Kong Polytechnic University
Co-Chairman
Professor,
Department of Applied Biology and Chemical Technology,
The Hong Kong Polytechnic University
Speakers
 Emeritus CNRS Research Director, University of Strasbourg |
Reactivity Control by Fine-Tuning the Metal Coordination SphereAbstract
The increasing contributions of molecular chemistry to homogeneous and heterogeneous catalysis and to nanosciences largely result from the possibility to fine-tune the interactions between multifunctional ligands and metal centre(s), which allows a deeper understanding of molecular structures and reactivity. This is facilitated by the unlimited diversity of ligands available or to be created. These aspects will be discussed, using diverse examples dealing with:
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Chair Professor of Energy Materials, City University of Hong Kong |
Electrode and Interface Design for High-Performance Rechargeable BatteriesAbstract Energy storage is essential to realize low carbon society and there have been many challenges. Metal ion batteries are still dominating the rechargeable battery market. Materials engineering plays a key role in the field of battery research. In particular, engineering materials at various scales offers unique properties resulting in high performance electrodes in energy storage devices. Consequently, considerable efforts have been made in recent years to fulfill the future requirements of electrochemical energy storage devices. Various multi-functional hybrid electrode materials and electrolytes are currently being studied to improve energy and power densities of next generation metal-ion batteries. In this talk, I will present some of our recent progress in the synthesis of different types of hybrid electrode materials and electrolytes to enhance the electrochemical energy storage properties of metal-ion batteries. |
 Professor, Institute of Chemistry, Chinese Academy of Sciences, Soochow University |
Narrow Bandgap Organic Acceptors for Organic Solar CellsAbstract Organic solar cells (OSCs) have attracted great attention in recent years, because of their advantages of simple device structure, light weight and capability to be fabricated into flexible and semitransparent devices. The key photovoltaic materials of OSCs are p-type conjugated polymer donors and n-type organic semiconductor (n-OS) acceptors. Power conversion efficiency (PCE) of the OSCs has been promoted to over 20% recently, benefitted from the development of the low bandgap n-OS small molecule acceptors (SMAs). Here I will report our recent research progress on the new narrow bandgap n-OS SMAs, the polymerized SMAs (polymer acceptors) and the giant molecule acceptors (GMAs) based on the SMAs, as well as the polymer donors matching with the narrow bandgap acceptors. In addition, I will report our new results on the perovskite/organic tandem solar cells (TSCs) with the wide bandgap perovskite solar cell as front cell and narrow bandgap OSC as rear cell.
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 Chair Professor, School of Chemical Engineering, Adelaide University |
Functional Materials for Energy Storage and ConversionAbstract Powered by renewable electricity, oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) can efficiently split water into green hydrogen. A crucial step in realizing this prospect is the knowledge-guided design of optimal electrocatalysts with high activity and selectivity. In this presentation, I will talk about our recent progress in mechanism understanding and material innovation for electrocatalytic water/seawater splitting for green hydrogen production. Aqueous zinc-based batteries (AZBs) hold significant potential for energy storage due to their low cost, high safety, impressive energy density, and environmental friendliness. However, they face major challenges for commercialization, including the lack of advanced cathode materials for AZBs and slow reaction kinetics for MSBs. For AZBs, I will introduce our latest advancements that demonstrate the exceptional durability of Zn-I2 batteries in industrial-scale pouch cells, which are operated under conditions of high active mass loading for cathodes and limited Zn supply for anodes.
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 Professor, Dalian Institute of Chemical Physics |
Single-Atom CatalysisAbstract
Single-atom catalysis has emerged as one of the most active frontiers in heterogeneous catalysis. With the great potential for maximizing the atom efficacy and offering distinctive activity/selectivity in a variety of important reactions, single-atom catalysts (SACs) have received incredibly increased attentions from both academia and industry. In this contribution, I will introduce the fast progress of SACs in the past ten years and mainly focus on the research in my group to address some of the fundamental issues about single-atom catalysis, such as the nature of the active sites in SACs, the essential role of coordination structure of single atoms in catalysis, as well as the dynamics of SACs during reaction. I wish this talk will provide an insightful understanding of the single-atom catalysis.
Keywords: Single-atom catalysis, heterogeneous catalysis, supported metal catalysts.
References
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Speakers
 Research Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Porphyrin-Based Photocatalysts: Molecular Engineering Approaches for Enhanced Photocatalytic Hydrogen EvolutionAbstract The conversion of solar energy into hydrogen (H₂) via photocatalytic water splitting is a promising strategy for sustainable energy, as H₂ is an efficient energy carrier. Photocatalytic systems (PS) for H₂ production typically comprise a photocatalyst, cocatalyst, and sacrificial donors, with the photocatalyst being crucial for enhancing photocatalytic H₂ evolution (PHE). Porphyrin-based photocatalysts are particularly attractive due to their strong UV-visible light absorption and tunable optoelectronic properties, which can be modified by altering peripheral substituents or metal centers. Our group has focused on improving the PHE of porphyrin PSs through structural modifications, including: (i) introducing chromophores at peripheral positions and inserting various metals into the porphyrin ring; (ii) designing self-assembled porphyrin small molecules with defined morphologies; (iii) developing porphyrin molecules for cocatalyst-free PHE; and (iv) creating A-π-D-π-A porphyrins for enhanced visible-to-near-infrared light harvesting.
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 Professor, School of Chemical Engineering, Adelaide University |
Catalytic Water Purification and Pollutant UpcyclingAbstract Advanced oxidation processes (AOPs) have garnered wide attention as a promising solution to the dual pressures of water pollution and carbon emissions. Unlike conventional radical-based Fenton systems that rely on intense oxidation and substantial oxidant consumption to degrade pollutants into CO2, we discovered a new electron-transfer pathways (ETP) that offer enhanced selectivity toward micropollutants in complex water environments. The ETP regime was triggered via non-radical persulfate activation, yielding surface complexes that selectively oxidize and convert phenolic and aromatic contaminants into polymeric products under moderate conditions with stoichiometric peroxide consumption. Such a process enables selective pollutant removal alongside resource valorization into value-added products at very low chemical consumption. We investigated how metal oxides and carbon nanomaterials trigger distinct ETP pathways and revealed that catalyst structure and chemical properties are pivotal in regulating peroxide activation, thus steering the micropollutant removal toward polymer formation rather than decomposition. Through micro-field intensification and heterojunction engineering, sustained oxidation and polymerization can be driven in parallel, boosting system stability and polymer yields. This “waste-to-resource” approach renovates AOP technologies toward sustainable water treatment and resource recovery.
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 Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Atomic Precision Design of Low-dimensional Transition Metal Nanocatalysts for Oxidation ReactionAbstract The atomic design of transition-metal-based materials offers a promising approach to reducing metal use and improving catalytic performance. Since most catalytic reactions occur at surface and/or interface sites, atomically engineering these active sites is crucial for designing efficient, low-cost catalysts, which, in turn, facilitates the investigation of the relationships among material, structure, and performance. Herein, by atomically engineering low-dimensional transition-metal-based catalysts, we optimized both the oxidation activation and oxidation evolution reactions, thereby achieving superior catalytic performance. Specifically, we achieved phase engineering of atomically dispersed Fe-doped amorphous RuOx nanosheets via amorphous–amorphous transition strategies, thereby precisely synthesizing two distinct Ru–Fe pair configurations. The A-Fe1/RuOx NSs with a connected tetrahedral FeO4-octahedral RuO6 configuration exhibited an enhanced formation of superoxide radicals during oxidative dehydrogenation reactions, resulting in remarkable catalytic activity in the synthesis of indole, indole derivatives, and quinoline. We then investigated the enhancement of the spin-polarized oxygen evolution reaction (OER) under a magnetic field by atomically designing magnetic spinel catalysts. We built a magnetism/OER activity model that provides new design principles for active OER catalysts.
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 Professor, School of Chemical & Biomolecular Engineering, The University of Sydney |
Understanding and Tailoring Nanocatalysts for Efficient Carbon TransformationAbstract Efficient carbon transformation is central to achieving sustainable chemical manufacturing and net-zero emissions. This presentation highlights our recent advances in tailoring nanocatalysts to control activity, selectivity, and stability in CO₂ and CH₄ conversion. We develop highly efficient NiRu alloy catalysts, including single-atom alloy architectures, to precisely tune hydrogen activation and surface intermediate stabilization for selective CO₂ hydrogenation. By engineering metal–metal synergy and interface structures, we achieve enhanced selectivity while suppressing undesired over-reduction pathways. In parallel, we investigate isolated La single-atom catalysts for selective CH₄ transformation, revealing their role in C–H activation and oxygen mobility regulation. To address stability challenges, we systematically elucidate sintering and coke formation mechanisms in Ni-based catalysts during dry reforming of methane (DRM). Guided by operando insights, we design ultrastable catalysts with controlled metal dispersion and strong metal–support interactions, enabling long-term DRM performance. These strategies provide fundamental and practical pathways toward efficient and durable carbon upcycling technologies.
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 Dean, School of Chemical Engineering,College of Engineering and Information Technology, Adelaide University |
Molecular Modelling of Electrocatalysts and Electrolyte for Clean Energy Conversion and Data-Driven ApproachesAbstract The goal of achieving zero-carbon emissions by 2050 has driven the search for alternative industry solutions that can replace the traditional fossil fuel-based economy. With the technology and infrastructure in place to produce clean electricity from renewable sources such as solar or wind, the ability to generate it on a large scale is rapidly increasing. This presents a prime opportunity for the production of carbon-free fuels and chemicals through the use of electrocatalysis. This method enables the conversion of green electricity into chemicals and fuels, and vice versa, providing a path towards a sustainable future. A central challenge in electrocatalysis remains the design of advanced electrocatalyst materials, as well as electrolyte, that are both highly active and selective for clean energy conversion reactions. Traditionally, molecular modelling has helped address this by offering insights into reaction mechanisms and guiding material design. Increasingly, artificial intelligence is playing a transformative role in this space. AI models trained on quantum mechanical data or experimental results can rapidly screen material candidates, identify structure-performance relationships, and uncover hidden patterns that may not be obvious through conventional approaches. My talk will highlight how we have used molecular modelling in the past for clean energy conversion reactions, the emerging shift toward machine learning, and how it is expected to drive the next wave of breakthroughs in predicting and optimising electrocatalysts and electrolytes for clean energy applications.
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 Professor, Department of Physics, The Chinese University of Hong Kong |
Extending the Cycle Life of Li Metal AnodeAbstract The lithium (Li) metal battery is a highly promising candidate for high energy density applications. However, the poor long-cycle stability of the Li metal anode limits its practical implementation. In this talk, I will start with the discussion of the leading failure mechanism of Li metal anode, which turns to be the accessibility of fresh Li in the electrode. I will then discuss the impact of surface crystallographic texture on the plating/stripping characteristics of Li metal and its influence on electrode cycle performance. Specifically, (110) textured lithium facilitates not only dense lithium plating but also uniform stripping during cycling, leading to largely extended cycle life of the cell.
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 Professor, Department of Mechanical and Automation Engineering, The Chinese University of Hong Kong |
Material Designs for Sustainable Aqueous BatteriesAbstract Energy storage systems play a crucial role in the integration of renewable energy sources, which are often unstable and intermittent, such as solar and wind power. Non-aqueous lithium-ion batteries dominate the battery market due to their high energy density, which allows them to store a large amount of energy in a relatively small volume. However, these batteries have a significant drawback: they are flammable. This flammability poses a risk of catastrophic damage, especially in large-scale applications where safety is paramount. Aqueous redox flow batteries (RFBs) offer a promising alternative for scalable, safe, and long-duration energy storage. One of the key advantages of RFBs is their design flexibility, which allows for independent scaling of power and energy capacity. This makes them highly adaptable to various energy storage needs. However, the widespread adoption of all-vanadium redox flow battery is limited by the low abundance and high cost of vanadium, making them less economically viable for large-scale deployment. In this presentation, we will discuss the development of emerging flow battery systems offering low-cost and high-capacity energy storage. We will discuss innovative approaches to mitigate crossover and improve reaction kinetics, thereby making these batteries more efficient and reliable.
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 Research Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
A Study of Ferrocene-based Metallopolymers as Organic Thermoelectric MaterialsAbstract Organic thermoelectric (OTE) materials are highly promising for flexible, wearable energy-harvesting applications, yet their performance often lags behind inorganic counterparts due to challenges in optimizing electronic properties. This work addresses these limitations by incorporating redox-active ferrocene (Fc) units into conjugated polymers to enhance thermoelectric behavior. Fc units act as internal charge modulators to dynamically tune carrier concentrations. We systematically investigated the thermoelectric properties of these Fc-containing polymers through a multi-pronged approach, including backbone and side-chain engineering to optimize molecular stacking, as well as the strategic introduction of stable radicals to refine doping efficiency. Our results demonstrate that integrating metallocene units provides a unique mechanism to balance the trade-off between electrical conductivity and the Seebeck coefficient. This study offers a promising molecular design strategy for achieving high-performance OTE materials through precise redox modulation and structural tailoring.
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 Chair Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Semiconductor Nanomaterials for Photoelectrochemical Energy ConversionAbstract Semiconductor nanomaterials hold the keys for efficient solar energy harvesting and conversion processes like photocatalysis and photoelectrochemical reactions. In this talk, we will give a brief overview of our recent progress in designing semiconductor nanomaterials for photoelectrochemical energy conversion including solar hydrogen generation and low-cost solar cells. In more details, we have been focusing on a few aspects; 1) photocatalysis mechanism, light harvesting, charge transfer and surface reaction engineering of low-cost metal oxide-based semiconductors as efficient photoelectrode for photoelectrochemical hydrogen production; 2) the working mechanism and stability improvement of perovskite quantum dots and lead-free tin-based perovskite solar cells; 3). The design of ultra-stable composites of perovskite-MOF with improved light emitting performance and catalytic performance. The resultant material systems exhibited efficient photocatalytic property and high-power conversion efficiency in solar cells, which underpin sustainable development of solar-energy conversion application.
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 Professor, School of Chemical Engineering, Adelaide University |
Single-Atom Catalysts for Energy and Environmental CatalysisAbstract Energy crisis and environmental pollution are two important issues in the world. Catalytic reactions will provide efficient techniques for energy conversion and environmental remediation. Solar energy as an important energy source for Earth can be used for driving catalytic reactions to produce chemicals. Photocatalytic reaction for water splitting to hydrogen generation can be an excellent process for solar energy conversion and clean hydrogen production. Meanwhile, advanced oxidation processes have also been regarded as effective techniques for pollutant removal. However, development of high-performance catalysts is important for those catalytic processes. Single-atom catalysts (SACs) are a burgeoning class of isolated site catalysts, envisioned as promising candidates for various catalytic reactions due to the precisely tailored metal coordination environments, maximal atomic utilization efficiency, and thus low metal usage. Herein, we will report our recent progress in fabrication of different SACs for those reactions and discuss their efficiency and mechanisms.
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 Research Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
From Learning to Empowering Nature: Biomimetic Interfaces for Advanced Energy Conversion and StorageAbstract Addressing the global challenge of efficient energy conversion and storage is pivotal for a sustainable future. This presentation will highlight our recent work on the rational design and construction of bioinspired functional materials for energy applications. Focusing on the synergistic combination of quantum dots (QDs) and covalent organic frameworks (COFs), we emulate natural photosynthetic principles to achieve efficient light-harvesting, charge separation, and mass transport. Our strategy involves precise interface engineering to create ordered structures, which demonstrate enhanced performance in artificial photosynthesis for solar fuel production. This approach is further extended to improve stability and efficiency in energy storage devices, such as aqueous zinc-ion batteries. This biomimetic approach offers a versatile pathway toward sustainable and high-performance energy technologies.
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 Dean, Faculty of Science/ Chair Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Photofunctional Organometallic Materials for Solar Energy ConversionAbstract Solar energy technologies have gained significant global attention as crucial facilitators for the green and sustainable development of human society and the economy. Organic materials hold great potential in solar energy conversion due to their advantages such as diverse molecular modification, pollution-free nature, low cost, solution processing, and flexible device fabrication. Our research focuses on developing new organometallic materials and investigating their performance in solar cells, solar evaporators and photocatalysis. The development of new organometallic materials opens a meaningful pathway from molecular design to improving the solar energy conversion efficiency of photo-to-electric, photo-to-thermal and photo-to-chemical processes.
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 Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Metal-Acetylide Frameworks: Design, Synthesis, Characterization and Application StudiesAbstract The propensity of d10 Hg(II)-, d8 Ni(II)-, Pd(II)- and Pt(II)-(PR3)2 (R = alkyl chain) units to form a moiety with alkynyl units makes them attractive building blocks for two-dimensional (2D) metal-acetylide frameworks (MAFs). Both few-layer and multi-layer 2D nanosheets can be generated depending on the types of interface-assisted approaches and their bulks can be prepared by the one-pot method. The 2D nanosheets with different topological structures, pore sizes, surface areas and advanced functionalities can be prepared by using different monomers with diverse electronic, optical and catalytic properties. The relationship between the performance of MAFs and their well-defined nanostructures will be elucidated, with a major focus on studying the effects of transition metals and ligands in activating their optical and catalytic properties. The properties and catalytic performance can be fine-tuned through chemical modification of the chromophores. The proposed work can produce a new class of 2D carbon-rich materials and provide a design concept for developing efficient nonlinear optical materials and photo-/electro-catalysts.
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 Associate Professor, Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University |
Interfacial Chemistry of Multivalent Metal Anode Batteries: Calcium MetalAbstract The growing electricity consumption and sustained economic growth have driven the increasing demands on energy. Due to its high energy and power densities, long cycle life, and flexible design, lithium-ion batteries (LIBs) have dominated the battery market over three decades. Nevertheless, the limited and unevenly distributed lithium reserves perturb the sustainable and large-scale supply of LIBs. Calcium metal batteries (CMBs) have been considered potentially high-energy and low-cost alternatives to commercial Li ion batteries because of the high abundance of calcium elements in the Earth’s crust. However, Ca deposition had been extremely difficult in aprotic organic electrolytes and suffer short cycle life, which are largely rooted on the ion-blocking solid electrolyte interphase. In this talk, I would like to present our recent work in understanding the failure mechanisms of calcium metal anodes and several electrolyte chemistry strategies to mitigate the interfacial challenges for propelling the advancement of sustainable calcium-based energy storage system.
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 Professor, School of Energy and Environmental, City University of Hong Kong |
Epitaxy‑Mimicking Interfaces and Predictive Optical Design for Perovskite Solar CellsAbstract Perovskite solar cells are governed by interfaces and optics: interfacial chemistry controls extraction, recombination, and stability, while optical design sets absorption, optical modulation (color tuning), and tandem current matching. In this talk, I present an epitaxy‑mimicking, molecularly matched interface strategy—implemented with tailored self‑assembled monolayers (SAMs)—to reduce interfacial losses, improve robustness, and enable high‑performance interconnection layers for monolithic tandems. I then show how high‑throughput optical simulations coupled with genetic optimization optimize multilayer stacks for targeted efficiency and spectral/visual appearance control. Finally, I highlight how this combined interface‑and‑optics toolkit enables new device functions, including color‑tunable and infrared‑reflective building‑integrated photovoltaics.
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 Assistant Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
Material Design of Polymer Acceptors for Efficient and Stable All-Polymer Solar CellsAbstract
Organic solar cells (OSCs) have attracted considerable attention from both academia and industry due to their portability, transparency, flexibility, and facile fabrication. Owing to the extensive research efforts devoted to material development and device optimization, the power conversion efficiencies (PCEs) of OSCs based on small-molecular acceptors (SMAs) have exceeded 20% recently. Despite that, the device stability issue still remains a critical factor that limits the commercialization of OSCs. To this end, all-polymer solar cells (all-PSCs), which employ both polymeric donors and acceptors have attracted attention due to their additional advantages of robust mechanical toughness, and excellent light/thermal stability. With the development of Y-series polymerized-SMAs, the all-PSCs have realized decent efficiencies of over 19%. Here we report multiple design strategies for high-performance polymer acceptors, including end-group fluorination, [1,2] vinylene-linkage conformational locking, [3] core-to-core coupling [4] and ternary complementary strategies, [5] which will strengthen the absorption and morphology properties of the active layer, thus achieving simultaneous enhancement in device efficiency and stability. Throughout precise control of the intramolecular charge transfer effect and intermolecular interaction, our all-PSCs can be also fine-tuned to fulfill various application circumstance, such as semitransparent photovoltaics and indoor photovoltaics, to the pressing demand of the ecosystem of Internet-of-Things. ncement in device efficiency and stability. Throughout precise control of the intramolecular charge transfer effect and intermolecular interaction, our all-PSCs can be also fine-tuned to fulfill various application circumstance, such as semitransparent photovoltaics and indoor photovoltaics, to the pressing demand of the ecosystem of Internet-of-Things.
References
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 Professor, School of Chemical Engineering, Adelaide University |
Bioinspired Materials and Devices: From Biomedical Applications to Resource RecoveryAbstract Nature has evolved an extraordinary repertoire of materials and processes with hierarchical structures and multifunctional behaviors across length scales. Inspired by these systems, our research harnesses biological principles to engineer bioinspired materials and catalytic platforms for both biomedical and resource recovery applications. We design peptides and proteins as catalysts and structure-directing agents to drive inorganic material formation, creating organic–inorganic hybrid nanomaterials. We develop modular nanoparticle platforms with tunable properties for drug delivery, precision nanomedicines and mRNA therapeutics. In parallel, drawing inspiration from natural mineralization and biomining, we develop peptide- and protein-based catalytic systems that selectively recognize and transform minerals, enabling water-based, recyclable separation of precious minerals and metals from primary and urban resources.
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 Professor, Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University |
In Situ Electropolymerizing toward Polymer Nanofilms of CoN4 catalysts for Electrochemical CO2 ReductionAbstract Cobalt-porphyrin(CoP) and cobalt-phthalocyanine(CoPc) catalysts for CO₂ electroreduction often face challenges such as agglomeration and poor conductivity. To overcome these, we developed EP CoP and CoPc PEDOT nanofilms through thiophene-based functionalization and in situ electropolymerization. This approach enhances durability, charge transfer, and catalytic performance. In a flow cell, EP CoP achieves >92% CO Faradaic efficiency at 160 mV overpotential and maintains 98.6% efficiency at 310 mA cm⁻². CoPc PEDOT reaches 460 mA cm⁻² with >99% efficiency in alkaline media and retains over 90% efficiency across 50–500 mA cm⁻² under strongly acidic conditions. These catalysts demonstrate high activity, stability, and scalability for industrial CO₂ reduction.
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