International Conference on Innovative Materials for Electrochemical Valorisation of Small Molecules (ICIM 2026)

Title: From Nature to Chemistry : Bioinspired Catalysts and Artificial Enzymes for CO₂ and H₂O reduction

Abstract: While developed in a number of directions, bioinspired molecular catalysis has been explored only very recently for CO₂ reduction, a challenging reaction, of prime importance in the context of the energetic transition to be built up. This approach is particularly relevant as Nature teaches us that CO₂ reduction is possible, at low overpotentials, high rates and large selectivity, and gives us unique clues to design and discover new interesting molecular catalysts. Indeed, based on our relatively advanced understanding of the structures and mechanisms of the active sites of fascinating metalloenzymes such as formate dehydrogenases and CO dehydrogenases, it is possible to design original bioinspired molecular catalysts for CO₂ electro- and photo-reduction. Here we specifically discuss our recent efforts, failures and successes, in developing synthetic bioinspired catalysts and artificial metalloenzymes for CO₂ reduction, We will discuss our recent success in creating a unique highly selective artificial enzyme using a metallic cofactor mimicking the heterodinuclear sites found in natural “CO₂ reductases”. During the course of that research, interesting bioinspired artificial enzymes were also studied. Some of them will be presented.

Title: Probing CO₂ Reduction Chemistry over Model Single Atom Catalyst under Operando Condition

Abstract: Transition-metal single atom catalysts have been demonstrated as promising catalysts for selective electrochemical CO₂ reduction reaction (CO₂RR), however, neither the detailed structures of catalytic intermediates nor the key surface species have been unambiguously identified. In this work, a series of single transition-metal atom catalysts with well-defined structures were developed as model systems to explore the electrochemical CO₂RR chemistry. Employing a combination of operando X-ray absorption spectroscopy, attenuated total reflectance surface enhanced infrared absorption spectroscopy, Raman spectroscopy and Mössbauer spectroscopy, we successfully captured the dynamic evolution of the catalytic centers during the CO₂RR process.

Title: Catalytic reduction and co-reduction of CO₂ and N₂ with molecular control. Making fuels and complex molecules

Abstract: Reduction of carbon dioxide and dinitrogen has as main objective the production of useful chemicals and fuels - renewable fuels - in which solar energy would be stored. Molecular catalysts can be employed to reach this goal, either in photochemical or electrochemical (or combined) contexts. They may in particular provide excellent selectivity thanks to the tuning of the electronic properties at the metal and of the ligand second and third coordination sphere. Based on mechanistic studies, we have shown that such molecular catalysts may convert CO₂ all C1 products, including formaldehyde, methanol and methane, [1-6] but also C2+ products [7] and more complex molecules, including sugars. [8] N₂ can also be activated [9, 10] and reduced all the way to ammonia, even if examples remain scarce. Making C-N bonds in coupling reactions is also an important challenge. Our most recent results will be discussed.

Title: Anion Exchange Membrane Water Electrolysis for Valorization of Small Molecules

Abstract: One practical way to convert solar energy into fuels is to directly couple an intermittent and fluctuating PV or wind power system to an electrolyzer, such as an anion exchange membrane water electrolyzer (AEM-WE) for green hydrogen production. In this system, the design and synthesis of highly efficient, robust membranes and catalysts that promote water oxidation and proton reduction are important. In this talk, research progress in developing anion-exchange membranes (AEMs), bioinspired water-oxidation catalysts based on NiFe oxohydroxides, hydrogen-generation catalysts based on NiMo, and their membrane-electrode assemblies will be presented. In particular, the mechanisms of O-O bond formation in pure Ni-based and NiFe-based water oxidation catalysts, revealing the important role of Fe, will be discussed. In addition to AEM-WE, the use of water as a green solvent and oxygen source for electrochemical HMF oxidation to FDCA, as well as the conversion of CO₂ into C3 and C4, will also be demonstrated.

Title: Electrochemical Energy Processes Investigated by In-situ/Operando Spectroscopies

Abstract: The fast development of electric vehicles and large energy storage for renewable energies of photovoltaic and wind power has put forward requirements on higher energy density, higher power density, higher safety, longer life, lower cost and wider environmental adaptability for electrochemical energy devices such as fuel cells and batteries. To meet with this urgent demand, understanding the electrochemical energy processes including interfacial and electrode processes as well as reaction mechanism and kinetics at molecular and microstructural level is crucial. Traditional electrochemical methods are limited to obtaining only macroscopic and phenomenological results. By introducing spectroscopy method while stimulating and detecting electrical signals, information on molecular level and microstructural changes can be obtained. Therefore, the electrochemical in-situ/operando spectroscopy method developed as a result has substantially advanced the rapid development of electrochemical research from macroscopic to microscopic, and from phenomenology to molecular level. The key to electrochemical in-situ/operando spectroscopy techniques is to coordinate and synchronize the excitation and detection signals of electricity and light. So, it is necessary to design and make in-situ/operando electrochemical reactors, as well as corresponding electronic devices and controlling software based on the characteristics of various spectra.

The current lecture reports our recent progresses achieved on studies of electrochemical energy processes by using a series of in-situ/operando techniques established in our research group. Results on studies of direct ethanol fuel cell by OEMS, the CO-tolerance mechanism in PEMFC via operando FTIR spectroscopy, the formation process of non-precious metal Fe/N/C catalyst through operando thermos-TEM, the CO₂ electrochemical reduction, and the collective reaction pathway during Li-S battery operation revealed through operando TEM will be presented in detail. Besides, the infrared free electron laser facilities for energy chemistry studies that we built up in China is going to be briefly introduced.

Title: The intriguing role of alkali cations at the electrified interface in electrocatalysis

Abstract: Electrocatalysis at the electrode-electrolyte interface is fundamentally governed by electron transfer across the electric double layer (EDL), highlighting a crucial mechanistic link between electrocatalytic properties and EDL structure. A central question in this field is the role of alkali metal cations at this interface, commonly known as the “cation effect”. This presentation will outline our ongoing research aimed at uncovering the fundamental principles underlying the cation effect in several important electrochemical reactions in aqueous environments.1,2 Using advanced in situ analytical techniques,3 we have discovered that alkali metal cations are not merely spectators, as traditionally believed, but actively influence the kinetics and mass transport in electrocatalysis. The identity and concentration of the alkali metal cation is critical in modulating electrocatalytic activity and selectivity,4,5 as well as affecting electrode stability.6 We will present a mechanism of cation-coupled electron transfer and its potentially interesting role in alkaline hydrogen evolution reactions. By gaining a deeper understanding of how alkali metal cations affect electrocatalysis, we will envision a novel conceptual framework for improving electrocatalytic processes.

Title: Catalysis from Fundamental Design to Machine-Learning

Abstract: Catalysis is responsible for over 90% of synthetic products today, and involves multiple dynamic processes over two orders of magnitudes in time and space. This poses great challenges for catalyst design and process optimization. The active sites of a catalyst coordinate the adsorption states of reactants, the matching of orbital energy levels, and the electron transfer pathways for catalytic efficiency and selectivity. Judicial atomic doping, defect control and structural hybridization can effectively regulate the microenvironment of catalytic active sites, to tailor effective catalysis towards practical working conditions. Fundamentally, the coupling of the d band of transition metal (TM) element and the p band of O element is of great significance for regulating the multi-electron transfer pathways and kinetics of TM oxide catalysts, and the charge transfer at the active site in the molecule is the key to regulating the catalytic activity. Coupling of fundamental simulations and experiment leads to effective design of catalytic coordination by single, dual and triadic active sites, to impart activity, selectivity and durability. To further enhance catalytic performance, effective integration of "theoretical simulations, machine learning and agent-driven experimental processes" is shown as a new scientific research paradigm for the design and optimization of catalysts and their processes. Particularly, domain-knowledge and rule-based machine-learning approaches are critically important in the era of “AI for Science”, with the ultimate goal of reverse engineering from practical demands to production formulation, particularly under practical operando conditions.

Title: Local Microenvironment Engineering for Enhanced Electrocatalytic Conversion

Abstract: Catalyst materials constitute the foundation of energy electrocatalysis, and their practical application requires both systematic development and mechanistic understanding of the interplay among structure, local microenvironments, and catalytic activity. In recent years, we have developed diverse synthesis methodologies for advanced catalytic materials and investigated the regulatory role of local microenvironments in electrocatalytic processes. Specifically, by employing a dual-confinement strategy, metal species were dispersed within carbon matrices across scales, from nanoparticles to sub-nanometric clusters and ultimately single atoms, enabling the construction of highly active centers that integrate both compositional and dimensional control[1]. Furthermore, model catalytic systems, including metal clusters and other representative structures, were constructed to investigate the reaction mechanisms of small-molecule transformations, providing theoretical insights for the rational design of efficient electrocatalysts[2–3]. Moreover, strategies involving interfacial modification, micro/nanostructural engineering, and external-field assistance were developed to tailor local microenvironments, promoting substrate and intermediate enrichment and optimizing proton–electron transfer kinetics, thereby enhancing the apparent overall catalytic performance[4–5]. Building on the above, coupling active centers with the local microenvironment was employed to enhance conversion efficiency while reducing energy consumption. Even further, extending microenvironment regulation strategies to device-level electrocatalysis demonstrated the feasibility of constructing efficient catalytic systems and highlighted promising prospects for sustainable small-molecule conversion.

Title: Digital Materials Ecosystem: A Closed-Loop Framework for AI-Driven Materials Discovery

Abstract: This presentation will introduce the concept of the Digital Materials Ecosystem, a closed-loop research framework centered on digital platforms for AI-driven materials discovery and innovation. With the rapid growth of experimental, computational, and literature data in materials science, the key challenge is no longer simply how to acquire data, but how to transform diverse and heterogeneous data sources into reliable scientific knowledge, high-accuracy predictive models, experimentally verifiable material candidates, and ultimately practical applications.

Title: Coupling electrocatalysis and heterogeneous catalysis for the synthesis of small molecules in cascade reactions

Abstract: Electrocatalytic cascade reactions coupled to non-electrocatalytic follow-up reactions offer an interesting concept toward sustainable synthesis of value-added chemicals by integrating sequential transformations within a single electrolyzer platform. However, practical implemen-tation remains challenging due to competing electrochemical pathways and the distinct and often different reaction environments required for electrochemical and chemical transformations. This presentation summarizes concepts of our recent approaches to exploit the synergy of efficient anodic H2O2 generation followed by non-electrocatalytic reactions using TS1 as heterogeneous catalyst for the formation of to develop an integrated electrocatalytic cascade for selective amide synthesis. Based on the understanding of the mechanism of efficient bicarbonate-dependent anodic H2O2 at catalyst surfaces which are to the best possible not active for the competing oxygen evolution reaction, elucidating its pH dependence using SECM-based in situ local pH measure-ments [1], we could demonstrate the successful formation of oximes [2], and the oxidation of propylene to propylene oxide [3]. Moreover, we could demonstrate that electrocatalysis and thermal catalysis can synergistically enhance ethylenglycol oxidation and determines the selectivity for intermediate oxidation states. [4] Acknowledgements: The work has received funding from the Deutsche Forschungsgemeinschaft (DFG) in the framework of the Research Unit “UNODE”. I am grateful to my coworkers especially to Dr. Lejing Li, Dr. Shubhadeep Chandra, Dr. Adarsh Koul, Dr. Carla Santana Santos and the cooperation partners from the department of industrial chemistry headed at Ruhr University Bochum (Prof. Martin Muhler) and the Max-Planck Institut für Kohlenforschung, Mülheim (Prof. Ferdi Schüth)

Title: Development of high performance and durable fuel cell electrocatalysts

Abstract: Low temperature fuel cells are electrochemical devices that convert chemical energy directly to electricity. They have great potential for both stationery and transportation applications and are expected to help address the energy and environmental problems that have become prevalent in our society. Despite their great promise, commercialization has been hindered by lower than predicted efficiencies and high loading of Pt-based electrocatalysts in the electrodes. For more than five decades, extensive work has been focused on the development of novel electrocatalysts for fuel cell reactions. In this talk, I will present recent progress in developing advanced electrocatalysts and their fuel cell performance in my group, with an emphasis on core-shell and non-precious metal materials.

Title: From Buffer Transport to Reactant Switching: Electrolyte Engineering in Water Electrolysis

Abstract: Electrochemical conversion of small molecules is commonly discussed in terms of catalyst composition and active-site structure. In aqueous systems, however, the electrolyte is an active component of the reaction: it determines the available proton donors and acceptors, controls transport to and from the interface, establishes local pH, and alters the stability and selectivity of the electrode. Water electrolysis beyond strongly acidic or alkaline conditions provides a useful platform for revealing these coupled effects. Under non-extreme pH conditions, proton-coupled electron transfer cannot rely on abundant bulk H+ or OH- alone; instead, buffer species participate directly in sustaining interfacial charge transfer and in creating the reaction microenvironment.

In this lecture, I will present an electrolyte-engineering framework based on buffer-ion-mediated reaction microenvironments. Electrochemical measurements combined with numerical simulations quantify the transport of protonated and deprotonated buffer species and show how buffer concentration, diffusivity, and hydrodynamic conditions determine the attainable current density. At elevated current, buffer supply becomes diffusion-limited and substantial local pH shifts develop, even while the bulk pH remains nearly unchanged. The identity of the effective proton donor or acceptor can consequently change with potential and current density, giving rise to reactant switching. This behavior demonstrates why apparent catalytic activity cannot always be interpreted solely as an intrinsic property of the electrode material.

A second example concerns oxygen evolution in chloride-containing electrolytes. Phosphate species dynamically interact with nickel-based anodes and regulate the interfacial environment. Operando observations and electrochemical analysis indicate the formation of a transient protective state that suppresses chloride-induced corrosion and competing chlorine evolution, thereby favoring selective oxygen evolution. The protective action can also extend to other metallic components in the electrolysis cell. Dynamic potential (E)–pH analysis connects these electrolyte–surface interactions with the stability window of electrode materials under operating conditions.

These results establish electrolyte engineering as a design dimension complementary to catalyst and electrode engineering. Rational control of buffer identity and concentration, ion transport, local acid–base chemistry, and specific interfacial interactions can expand the usable pH window, enable earth-abundant materials, and improve selectivity and durability in complex electrolytes. More broadly, efficient electrochemical valorization of small molecules requires co-design of the catalyst, electrolyte, and dynamic reaction microenvironment rather than optimization of the solid catalyst in isolation.

Title: Cobalt Phthalocyanine Catalyzed Carbon Dioxide Electroreduction to Methanol

Abstract: Transition to clean energy, mitigation of carbon emissions, and protection of water resources are critical challenges for the world. Solving these challenges requires precise control of many important chemical reactions with sluggish kinetics and myriad possible reaction pathways and associated products. There is a critical need for selective, active, durable and low-cost catalysts. This talk will present our research into the electrocatalysis science of cobalt phthalocyanine molecules supported on graphitic nanocarbon materials. These heterogenized molecular catalyst materials possess advantages of conventional heterogeneous and homogeneous catalysts. They exhibit interesting electrocatalytic properties and mechanisms in the reduction reactions of carbon dioxide, nitrate, lithium polysulfides, and chlorinated organic compounds, leading to possible applications in carbon neutralization, solar fuel production, sustainable chemical synthesis, high energy rechargeable batteries, and water purification.

Title: Salt Managements in CO₂ Electrolysis

Abstract: (Bi)carbonate salt formation has been widely recognized as a primary factor in poor operational stability of the electrochemical carbon dioxide reduction reaction (CO₂RR). In this talk I will introduce the salt formation mechanism, as well as a few mitigation methods we developed recently to extend the lifetime of CO₂ electrolyzers. These methods are based on both interfacial microenvironment engineering and electrolyzer engineering, include hydrophobic coating of gas flow channels, acid humidification of CO₂ stream, switchable flow channels, and catalyst binder engineering.

Title: Semiconductor Design for Photoelectrochemical Solar Fuel Production

Abstract: 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 on 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) artificial photosynthesis reaction mechanism, light harvesting, charge transfer and surface reaction engineering of low-cost semiconductors for solar driven hydrogen and valuable chemical 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 perovskite-MOF composites with improved light emitting performance and photocatalysis. The resultant material systems exhibited efficient photocatalytic performance for value-added chemical production and improved power conversion efficiency in solar cells, which underpin sustainable development of solar energy conversion technologies towards carbon neuralization.

Title: On the structural dependence of mass transport in porous metallic electrodes

Abstract: Electrochemical valorization has long leveraged the catalytic activities of metallic electrodes. In our group, we have designed various methods for fabricating monolithic nanoporous metals based on the morphology evolution mechanism and explored their use in flow-based electrochemical devices. Despite the outstanding performance, we faced the lack of structure-transport relationship, without which we cannot fulfill the promise of these electrodes. In this talk, I will discuss our work on how structures of porous metal determine the rate of convection and ionic diffusion. I will rationalize the design of structural hierarchy based on our insights and elaborate on the intriguing surface effect on ionic diffusion when the pore size is below 10 nm.

Title: Electrocatalytic Upgrading of Biomass-derived Substrates to Value-added Products

Abstract: Biomass, recognized as the most promising renewable carbon feedstock, offers a sustainable alternative to fossil-based resources due to its abundance and carbon-neutral potential. This work centers on the electrochemical conversion of lignin and lignin-derived substrates through electrocatalysis, presenting a green and environmentally friendly approach to producing high-value chemicals. We showcase a series of carefully designed electrocatalytic reactions, encompassing both single and paired electrolysis processes, to achieve precise control over reaction selectivity and optimize product yield. These reactions leverage the unique capabilities of electrocatalysis to transform complex lignin structures into valuable products such as biofuels, fine chemicals, and platform molecules. We explore how tailored electrocatalytic systems, including the use of advanced electrode materials and optimized reaction conditions, enable selective cleavage of lignin's intricate aromatic and etheric bonds. Specifically, we highlight the role of electrocatalytic hydrogenation and oxidation in converting lignin-derived aromatics into high-value products with applications in energy and chemical industries. Additionally, we discuss the critical influence of surface phase control—through modifications in catalyst morphology, composition, and electronic properties—on steering reaction pathways toward desired outcomes, enhancing both selectivity and efficiency. By integrating renewable energy sources into the electrocatalytic process, this approach minimizes carbon emissions and aligns with principles of green chemistry. We also address challenges such as scalability, catalyst stability, and process integration, offering insights into how these hurdles can be overcome to make electrocatalytic conversion industrially viable. Through these advancements, we underscore why electrocatalytic conversion of lignin is a promising and sustainable pathway for the production of biofuels and fine chemicals, contributing to a circular bioeconomy and reducing reliance on non-renewable resources.

Title: Rational Design of Redox-Active Organic Materials for Electrochemical Carbon Capture

Abstract: Carbon capture is a critical strategy for mitigating climate change. Current carbon dioxide separation technologies mainly rely on complex thermal or pressure-swing processes, which suffer from drawbacks such as high energy consumption, limited efficiency, corrosion issues, and sorbent degradation. In contrast, electrochemical carbon capture (ECC) has attracted significant attention in recent years because it can use intermittent electricity from renewable energy sources to drive carbon dioxide capture and release under ambient temperature and pressure. In one form of ECC based on redox-active organic materials (ROMs) for CO₂ concentration, the sorbent binds CO₂ in its reduced state and releases CO₂ in its oxidized state. However, current redox-active sorbents are mainly based on quinone analogues, leaving substantial potential for molecular design to improve the intrinsic performance of ECC sorbents. In this study, we introduce redox-active materials with new molecular structural units for electrochemical carbon capture. These materials offer broad structural tunability, high CO₂ selectivity, efficiency, and stability. Further, we incorporate ROMs into two-dimensional (2D) covalent organic frameworks to facilitate solid-state ECC in fixed-bed processes. These findings significantly expand the chemical space of redox-active CO₂ sorbents and pave the way for the design of novel solid or liquid sorbents for practical electrochemical carbon capture applications.

Title: Engineering Inter-Site Synergy in Atomic-Scale Catalysts for Sustainable Electrocatalysis

Abstract: Atomic-scale catalyst design offers a powerful platform for tailoring the geometric and electronic structures of active sites for sustainable electrocatalysis. This talk will present our efforts to move beyond isolated single-atom sites toward correlated single-atom catalysts, lattice-confined atomic configurations, and single-atom alloys, in which inter-site interactions are deliberately engineered to tune adsorption behavior, intermediate evolution, and product selectivity. By integrating controllable synthesis, operando characterization, and theoretical calculations, we aim to establish structure–property relationships that connect atomic configuration with catalytic reactivity and stability. These research works provide a unifying strategy for designing advanced electrocatalysts across different reaction systems, including water electrolysis and selective C–N coupling, and highlights how atomic-level understanding can guide the development of efficient, robust, and practically relevant catalytic materials.

Title: Hybrid Electrocatalytic Interfaces Tailored for Renewable Energy Conversion and Waste-to-Resource Upcycling

Abstract: Overcoming challenges in electrocatalysis is key to realizing a sustainable society in the future powered by renewable energy sources. Despite decades of efforts, lowering the overpotential, increasing the activity, improving the selectivity, and enhancing the stability have been difficult to achieve simultaneously. In this talk, I will discuss our strategy to facilitate energy catalysis through the development of nature-inspired electrochemical interfaces. (i) Hybrid bilayer metallomembrane (HBM) tailors the PCET processes of O₂ reduction at the electrocatalyst microenvironment. (ii) Mechanical interlocking metal complexes capture the co-conformation dynamics of enzyme backbones to switch the O₂ binding mode from side-on to end-on and elongate the O–O bond for efficient cleavage. (iii) Mechanical interlocking allows the installation of cationic prosthetic groups in the ligand framework and overcomes the repulsion of charged groups for efficient NO3-to-NH₃ upcycling. (iv) Cu and Co in layered double hydroxides (LDHs) cooperatively facilitate nitrate adsorption and generate ammonia with close to 100% Faradaic efficiency. (v) Expansion of the interlayer spacing of LDHs and metal-doping of nanosheets enable electrochemical domino C=N bond formation for formaldoxime generation in aqueous media.

Title: Efficient Electrochemical Valorization of CO₂ in acidic media

Abstract: Electrochemical CO₂ reduction reaction (CO₂RR) powered by renewables provides a promising route to store the intermittent electricity as valuable chemical feedstocks and dispatchable fuels. Impressive selectivity towards value-added chemicals and fuels at industrially relevant current densities has been achieved in CO₂RR systems operating in neutral and alkaline electrolytes. However, performing CO₂RR under neutral and alkaline electrolytes results in (bi)carbonate formation followed by the crossover to the anode via an anion exchange membrane and then low CO₂ utilization, thereby imposing a substantial energy penalty for carbonate regeneration and CO₂ recycle. In this talk, I will present our recent progress towards the electrosynthesis of chemicals and fuels from CO₂ without CO₂ loss through the CO₂RR in acidic media.

Title: Intercalation Phase Engineering of Transition Metal Dichalcogenides for Smart Applications

Abstract: Intercalation of atoms, ions, and molecules is an effective means of tuning the properties of two-dimensional materials, while in situ imaging and spectroscopy provide powerful tools for deciphering intercalation dynamics and mechanisms.1,2 Firstly, we developed a lithium ion battery intercalation & exfoliation method with detailed experimental procedures for the mass production of 11 2D transition metal dichalcogenides (TMDs) and inorganic nanosheets, such as MoS₂, WS₂, TiS₂, TaS₂, ZrS₂, graphene, h-BN, NbSe₂, WSe₂, Sb₂Se₃ and Bi₂Te₃, among them 3 TMDs achieved mono- or double layer yield > 90%.3 The Li insertion can be monitored and finely controlled in the battery testing system, so that the galvanostatic discharge process is stopped at a proper Li content to avoid decomposition of the intercalated compounds. Secondly, we discovered that small current and high cut-off voltage (0.005 A g-1, 0.9 V) produces pure 2H WS₂ bilayers. while large current and low cut-off voltage (0.02 A g-1, 0.7 V) leads to 1T’ WS₂ monolayers.4 For the lithium intercalation mechanism, state-of-the-art in-situ liquid phase transmission electron microscopy (TEM) is an ideal technique for identifying phase changes in TMDs during the lithium intercalation process. When combined with in-situ X-ray absorption spectroscopy (XAS), X-ray diffraction (XRD), and Raman spectroscopy, the underlying mechanisms of intercalation phase engineering can be elucidated, enabling the phase-switchable preparation of TMDs.8 Regarding application, the unconventional (metastable) TMDs phases generated and stabilized via intercalation demonstrate significantly enhanced physical and chemical properties for a variety of applications, such as electronics and thermoelectric generator,8,9 humidity sensor,4 heavy metal removal & recovery,10-11 ion separation, and environmental DNA detection, among others. For water decontamination, our metallic 1T/1T′ phase 2D TMDs nanosheets exhibited exceptional Pb2+ removal capacity (up to 758 mg∙g-1) with treatment capacity of 55 L-water/g-adsorbent for feeding Pb2+ concentration of 1 mg∙L-1, holding great potential as Point-of-use (POU) devices. Furthermore, TMDs nanosheets are very effective for extracting gold (Au) from leaching solutions of end-of-life electronics, and TiS₂ exhibited an adsorption capacity of 9093 mg∙g-1 towards Au3+ and achieves 99.99% extraction within 0.25 min. Then, a one-step covalent functionalization of MoS₂ nanosheets was used for membrane fabrication, which exhibits rejection rates of >90% and >80% for various dyes and NaCl in reverse osmosis (RO). After that, we found that 1Tʹ-MoS₂ electrode demonstrates exceptional volumetric desalination capacity of 65.1 mgNaCl cm-3 in capacitive deionization.