Pawin Iamprasertkun

Lithium metal batteries are promising energy storage systems but suffer from dendrite growth and interfacial instability caused by uneven Li ⁺ flux and uncontrolled anion migration. Herein, we report a facet‐regulated strategy to construct ultrathin two‐dimensional metal‐organic framework (MOF) nanosheets for ion‐selective separator modification. Density functional theory reveals that gluconate anions preferentially adsorb on high‐energy facets, suppressing vertical crystal growth and enabling the formation of Zn(bim)(OAc) based nanosheets (ZBO‐NS). When coated onto a polypropylene (PP) separator, the resulting ZBO‐NS@PP forms a uniform lamellar architecture with abundant open metal sites and hydroxyl groups. This structure enables strong anion anchoring and promotes selective Li ⁺ transport, as evidenced by an increased Li ⁺ transference number (0.73) and homogenized ion distribution confirmed by theoretical simulations. As a result, ZBO‐NS@PP effectively suppresses concentration polarization and dendrite growth, delivering stable Li ⁺ plating/stripping for more than 1000 h at a current density of 0.5 mA/cm ² and an areal capacity of 1 mA·h/cm ² , while maintaining a low overpotential of approximately 28 mV. In Li | |LiFePO ₄ full cells, it achieves a high capacity retention of 85% after 500 cycles at 1 C. This work provides a general strategy for constructing ion‐selective interfaces via facet engineering of MOFs toward high‐performance lithium metal batteries.

Extra lithium storage in transition‐metal nanoparticles remains debated because interfacial reactions are difficult to distinguish. Using Fe/C as a model anode, we combine in situ electron paramagnetic resonance (EPR) and magnetometry to resolve two concurrent storage processes. Magnetometry identifies electron accumulation in Fe 3d orbitals at Fe/Li ₂ O rich interfaces, consistent with space charge storage. Furthermore, EPR reveals a reversible, potential‐dependent radical formation within the polymeric solid electrolyte interphase (SEI) after its initial formation. Density functional theory supports Fe‐catalyzed ring opening of carbonate solvents and chain‐radical intermediates that undergo polymerization and reconstruction. These results show that the dynamic organic SEI participates in reversible charge storage alongside inorganic Fe/Li ₂ O interfaces. Thus, the traditionally believed inactive Fe‐dominated materials deliver a reversible capacity of 554 mAh g ⁻¹ at 2 A g ⁻¹ , leading to an energy density of 100 Wh kg ⁻¹ at a power density of 100 W kg ⁻¹ in an asymmetric lithium ion capacitor with activated carbon as the cathode. These findings extend established interfacial storage concepts to radical‐mediated charge storage within a dynamically reconstructed SEI.

Electrocatalytic urea synthesis offers a sustainable, carbon- and energy-efficient alternative to the Haber-Bosch process under ambient conditions. It is a sustainable strategy in which simultaneous reduction of carbon dioxide (CO2) and nitrogen molecules (nitrogen, nitrate, nitrite, nitric oxide, etc.) lead to form urea. However, electrochemical urea synthesis faces multiple challenges including activation of CO2 and nitrogen molecules (nitrogen, nitrate, nitrite, nitric oxide, etc.), low production and selectivity toward urea production. The C–N coupling reaction is considered the most challenging part for urea synthesis. With respect to all this, this review focuses on fundamental reaction mechanisms followed by recent progress for electrochemical urea production. Recent advances highlight the rational design of heterogeneous catalysts─ranging from transition-metal-based systems (Cu, Ni, Fe, Co) to single-atom catalysts─that enable simultaneous activation of CO2 and nitrogen molecules. This review summarizes proposed reaction pathways by correlating catalyst active centers with mechanistic insights into CO2/N-containing species activation and coupling. The critical challenges related to low yield and Faradaic efficiency are outlined, providing perspectives for translating laboratory breakthroughs into practical urea electrosynthesis technologies. Collectively, these advances establish electrocatalytic urea synthesis as a frontier in sustainable chemistry, bridging carbon capture with nitrogen cycle management, and paving the way toward scalable green urea production.

Designing a robust and efficient electrocatalyst for hydrogen evolution reaction (HER) across diverse electrolytes remains a critical challenge for sustainable hydrogen production. Herein, we demonstrate a surface-engineered MoSe2/WSe2 heterostructure as a catalyst support for anchoring ruthenium (Ru) nanoclusters via tunable electrodeposition, enabling superior HER activity in acidic, alkaline, and seawater media. The heterostructure, prepared via sonication-assisted exfoliation and optimized at a MoSe2/WSe2 ratio of 3:1, provides abundant edge sites and favorable electronic modulation for Ru deposition. Advanced characterization (e.g., STEM, XPS, XANES, and EXAFS) confirms uniform Ru anchoring on the heterostructure surface, accompanied by interfacial coupling and charge redistribution from Ru to Mo/W sites. Electrochemical analysis reveals that the optimized Ru60 configuration exhibits outstanding HER activity with low overpotentials of 118 mV (0.5 M H2SO4), 61 mV (1 M KOH), and 286 mV (seawater) at 10 mA cm–2 along with Tafel slopes of 48–92 mV dec–1. Notably, Ru60 delivers a high mass activity of 1860 A g–1 at 100 mV and superior intrinsic activity with turnover frequencies of 1.01 and 6.85 s–1 at 100 and 150 mV, respectively, outperforming Ru/C and commercial Pt/C. Moreover, durability tests demonstrate negligible performance decay after 5000 cycles and stable operation at high current densities of ∼100, ∼70, and ∼25 mA cm–2 for 72 h in acidic, alkaline, and seawater electrolytes, respectively, with a preserved morphology and crystallinity. Therefore, this work demonstrates a scalable strategy for the interfacial engineering of 2D heterostructures with dispersed Ru nanoclusters, offering a promising pathway toward efficient, durable, pH-universal, and seawater electrolyzers for green hydrogen production.

Operating lithium-ion batteries (LIBs) at high voltages and low temperatures demands electrolyte solvents with highly tailored electronic properties. Because traditional discovery is limited by historical solvent libraries and human intuition, expanding the accessible chemical space requires advanced computational methods. Here, we deploy the generative machine learning model G-SchNet, trained on the QM9-GCDQE database, to invert the design process for three designed targeted electrolyte environments: general-purpose, high-voltage, and low-temperature. We filtered the generated molecular space using a multistage framework based on validity, uniqueness, and novelty, followed by DFT and molecular dynamics (MD) validation. We identified a computationally promising candidate, trifluoro((fluoromethoxy)methoxy)methane, which is a fluorinated ether that exhibits computed transport properties enhanced relative to a conventional EC/DEC electrolyte under identical simulation conditions. This workflow illustrates the capacity of generative models to identify computationally promising electrolyte candidates that warrant further computational and experimental investigation.

Aqueous sodium-ion systems using water-in-salt (WIS) electrolytes offer enhanced safety and wider electrochemical stability windows (ESWs), yet current collector corrosion in these media remains poorly understood. Here, aluminium, copper, stainless steel, and nickel were evaluated in 1 and 12 m NaNO3 using electrochemical techniques and surface analyses. Copper showed extensive dissolution, nickel suffered severe localised corrosion, and stainless steel exhibited gradual passive-film degradation. In contrast, aluminium maintained a stable oxide layer, minimal surface damage, and strong electrochemical performance, with an ESW of 3.07 V, high polarisation resistance, and a corrosion current density below 0.010 µA cm-2. Its practical viability was confirmed in a symmetric activated carbon (AC) cell, retaining ~84% capacitance after 10,000 cycles and delivering 13.82 Wh kg-1 at 193.19 W kg-1. These findings highlight that concentrated NaNO3 does not uniformly enhance stability and underscore the need for careful current collector selection. Aluminium offers the best balance of stability, cost, and performance for durable aqueous sodium-ion energy storage systems.

Aqueous sodium-ion systems using water-in-salt (WIS) electrolytes offer enhanced safety and wider electrochemical stability windows (ESWs), yet current collector corrosion in these media remains poorly understood. Here, aluminium, copper, stainless steel, and nickel were evaluated in 1 and 12 m NaNO3 using electrochemical techniques and surface analyses. Copper showed extensive dissolution, nickel suffered severe localised corrosion, and stainless steel exhibited gradual passive-film degradation. In contrast, aluminium maintained a stable oxide layer, minimal surface damage, and strong electrochemical performance, with an ESW of 3.07 V, high polarisation resistance, and a corrosion current density below 0.010 µA cm-2. Its practical viability was confirmed in a symmetric activated carbon (AC) cell, retaining ~84% capacitance after 10,000 cycles and delivering 13.82 Wh kg-1 at 193.19 W kg-1. These findings highlight that concentrated NaNO3 does not uniformly enhance stability and underscore the need for careful current collector selection. Aluminium offers the best balance of stability, cost, and performance for durable aqueous sodium-ion energy storage systems.

Electrochemistry involving superconcentrated electrolytes has rapidly gained attention as a transformative approach in electrochemical processes. Superconcentrated electrolytes have emerged as a groundbreaking solution in electrochemical applications, recognized for their nonflammable nature, ecofriendly composition, and expanded electrochemical stability window compared to conventional dilute aqueous electrolytes. The electrochemical hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are fundamental processes in energy conversion and storage technologies. This study investigates the electrochemical activity of platinum electrodes in lithium-based electrolytes for understanding the electrochemical characteristics from low to high concentration. The HER and OER kinetics in superconcentrated electrolytes were performed to address challenges related to stability and efficiency in high-concentration ionic environments. Highly concentrated electrolytes characterized by their unique solvation structure and extended electrochemical stability potential window offer promising avenues for enhancing energy storage and conversion applications. Through cyclic voltammetry and linear sweep voltammetry, we analyze key parameters such as redox reactions, overpotentials, and kinetic reactions. This study explores the interaction between platinum and highly concentrated aqueous electrolytes to elucidate its influence on catalytic performance. The results provide insights into optimizing platinum-based electrocatalysis for next-generation sustainable energy solutions, highlighting the role of electrolyte composition in dictating reaction kinetics, potential window, and overall electrochemical performance.

On-the-fly machine learning force fields (MLFFs), trained using ab initio molecular dynamics, offer a fast and accurate alternative to density functional theory (DFT) for predicting lattice thermal conductivity (κ _L ) in two-dimensional materials. This study focuses on MoS₂ monolayer, where the MLFF demonstrates excellent agreement with DFT, yielding low root-mean-square errors (RMSEs) of 0.303 meV·atom^–1 for energies and 0.013 eV·Å^–1 for atomic forces. Leveraging this accuracy and the computational efficiency of MLFFs, we investigated the effects of biaxial tensile strain on κ _L . Our results show an 80% reduction in κ _L under 16% strain, which is attributed to suppressed phonon group velocities (v _λ), shortened phonon relaxation times (τ_λ), and enhanced anharmonicity. These mechanisms were understood through detailed analysis of strain-induced changes in phonon dispersions, τ_λ, and v _λ. This study on MoS₂ monolayer reveals that MLFFs provide a powerful and efficient framework for calculating κ _L in low-dimensional systems under strain, significantly advancing our understanding of strain-modulated thermal transport.