Themed collection Journal of Materials Chemistry A Emerging Investigators 2025

Summary of crystalline property engineering of SPEs.

This review highlights the structural diversity and entropy-driven design of high-entropy materials for oxygen reduction, revealing key structure–activity relationships and guiding future electrocatalyst development.

A review about 2D covalent organic frameworks as organic electrode materials for aqueous batteries.

Ammonia emerges as a high-energy density, carbon-free medium for the storage, transport, and utilization of green electricity.

This review systematically summarizes the latest research progress in ZnIn₂S₄-based heterostructure photocatalysts for solar energy conversion.

This review focuses on the latest developments in Cu-based intermetallics, covering their structures, synthesis methods, and electrocatalytic applications.

Two-dimensional transition metal dichalcogenides (2DTMDCs) are promising in quantum computing, flexible electronics, spintronics, sustainable energy systems, and advanced healthcare.

The physicochemical properties accurately captured by the precise descriptors enable researchers to efficiently screen and identify optimal compounds for designing high-performance electrolytes for Li batteries.

This review summarizes recent innovations in strategies and mechanisms for fabricating UV-blocking polymers and composites.

We propose unifying strategies for the development of high-energy, low-cost, long-lasting olivine cathodes through atomic to electrode level engineering, focusing on: (1) high energy densities, (2) kinetics, and (3) structural stabilities.

This work systematically investigates the influence of the sp/sp² hybrid carbon ratio on the NRR catalytic performance of Ti@GY/Gr heterojunctions and explores the underlying mechanisms and relevant descriptor relationships.

In this work, we demonstrate the formation of ionic-bonded complexes between an amino methacrylate and various solid carboxylic acids, which is robust “hardener” for epoxy resins through dual-cure reactions.

An exsolved intimate Cu–ZnO interface allows for the conversion of CO₂ to methanol at atmospheric pressures.

Scanning electron microscopy yields high-resolution insight into the perovskite to non-perovskite phase transformations of materials such as cesium lead iodide and formamidinium lead iodide.

Nitrogen doping significantly boosts the rate capability of the rock-salt Li₃V₂O₅ anode in thin film lithium-ion microbatteries.

Corrosion of Cr₂TiAl_1−xSi_xC₂ MAX in LBE leads to decomposition, whereas multi-elements promote the formation of protective Al₂O₃ and Cr₂O₃.

The alternately stacked waffle-like NS-ZIF@V₂CT_x heterostructures with plentiful exposed active sites, enhanced electrical conductivity and superior structural stability have been fabricated and utilized as anodes in potassium-ion batteries.

Ultrafine PdNPs with AcGlu/NHO/π-bond coordination enable simultaneous capture, activation, and conversion of dilute CO₂, propargylic amine, and aryl iodide with 600 h⁻¹ TOF over 7 cycles. Advances CO₂ utilization and nanomaterial design.

Porphyrin-based pillared MOFs were synthesized via an amino-functionalization strategy, which enhanced CO₂ adsorption, light absorption and charge separation resulting in superior photocatalytic CO₂ reduction performance.

A closed-loop robotic and computer vision system was developed to control and quantify MOF crystallization outcomes.

This study modifies the SnO₂/perovskite interface with p-toluenethiol, achieving a power conversion efficiency of 25.53% for perovskite solar cells and 23.27% for flexible devices, with significantly enhanced stability.

An interfacially assembled asymmetric polymer membrane enables rapid, visible, and smartphoneassisted ammonia detection via hydrogen-bond-mediated optical shifts, advancing portable platforms for intelligent environmental sensing.

Stronger MoS₂–Au interactions result in greater transduction of strain in trilayer electrochemical actuators than analogous interactions across heterointerfaces within MoS₂–Ni or V₂O₅-based systems.

Ionic COF@CNT with tailored anion centers for wide-temperature Li–S batteries.

A room-temperature self-healing and mechanically robust siloxane elastomer is combined with silver nanowires to obtain a self-healing electromagnetic interference shielding material.

Multi-scale analysis reveals that SOC-dependent calendar aging preconditions interfacial degradation and lithium loss in LiFePO₄/graphite cells, governing subsequent cycle aging and highlighting the need for integrated aging models.

Spin-coated s-SWCNT/sputtered a-Ga₂O₃ heterojunction boosts DUV responsivity by synergizing appropriate band alignment with nanotube transport pathways, offering a scalable optoelectronic design.

Li-rich cathodes are gaining popularity for Li-ion batteries due to their higher capacity compared to standard layered cathodes. Here we elucidate the complex redox and O dimerization mechanisms using advanced materials theory.

NTAB, a novel spherical organic material, enhances epoxy coatings with superior anti-corrosion performance through synergistic barrier passivation mechanisms, outperforming conventional fillers.

Lithium–sulfur (Li–S) batteries, characterized by their exceptionally high theoretical energy density of 2600 Wh kg⁻¹, encounter significant challenges related to polysulfide shuttling and slow redox kinetics.

This paper reports a facile synthesis of high-entropy alloy nanoparticle catalysts with superior water-splitting activity, linking structural reconstruction during catalysis to electrocatalytic mechanisms via in-depth characterization.

The high-entropy membrane demonstrates a stress–strain value of 2.56 MPa and outstanding insulation performance at 1200 °C, offering valuable insight into thermal runaway protection for lithium-ion batteries.

Preferentially oriented Ag nanoparticles (PO-Ag NPs) dominated by the Ag(110) facet were used for the hydrogenation of 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan, exhibiting outstanding performance across a broad potential window.

Pt–Ni heterostructures with different oxygen-containing microenvironments were first controllably synthesized. The slightly oxidized interface can weaken the adsorption energy of the OH* intermediates and thus accelerate alkaline hydrogen oxidation.

The introduction of S enables the optimization of Fe single-atom sites to promote the ORR process. The developed electrocatalyst demonstrates exceptional performance in ZABs, highlighting its great potential for energy conversion applications.

Vitamin C is used to optimize cathode interlayers in organic photovoltaics, achieving a power conversion efficiency of 19.8% in opaque devices and a light utilization efficiency of 4.53% in semitransparent devices.

An engineered Co₂SnO₄@ZnIn₂S₄ S-scheme heterojunction boosts photocatalytic H₂ production via enhanced charge separation, NIR photothermal conversion and catalytic enhancement.

DFT calculations reveal POVs are oxidized by H₂O₂via a proton transfer pathway (rather than a radical pathway), generating highly reactive peroxovanadate intermediates.

Facile proton conduction within poly-phosphamide network and presence of redox active {P(O)–NH} moiety makes it a potential alternative to Nafion-based proton-exchange membrane (PEM) material and metal-free hydrogen evolution reaction catalyst.

Bidentate diphenylphosphine ligands passivate Pb²⁺ defects via dual-site coordination, achieving CsPbBr₃ perovskite solar cells with record 11.23% PCE, 1.707 V V_oc and >90% stability retention over 1800 h under 80 °C & 80% RH.

By regulating the surface structure of In₂O₃–ZrO₂ catalysts, the study reveals that the FLP sites constructed from hydroxyl and oxygen vacancies are favourable for CO₂ activation.

A Ru/TiO₂ heterostructure electrocatalyst with intense Ru–TiO₂ interaction demonstrates high electrocatalytic performance up to 0.6 V (vs. RHE) toward alkaline HOR.

The molecular conformation of electron acceptors significantly influences the evolution of hole mobility under different conditions, even when the same donor material and weight fraction are used.

A nonflammable single-solvent electrolyte is constructed, which exhibits high intrinsic oxidation resistance and facilitates forming stable cathode–electrolyte interphase. thereby improving the electrochemical performance of Li-rich cathodes.

A non-fluorinated weakly solvating electrolyte is explored to promote uniform sodium deposition and reversible sulfur redox reactions for high-performance sodium-sulfurized polyacrylonitrile batteries.

Asymmetric SiO₂ substrate supported Ni catalysts have been developed to enable high-performance and stable photothermal catalytic dry reforming of methane with CO₂.

The –C≡N group and a S dopant were introduced into crystalline GCN to reduce the exciton binding energy (E_b) for enhancing exciton dissociation efficiency and promoting charge transfer dynamics, realizing efficient photocatalytic CO₂ reduction.

The high-entropy alloy (HEA) catalyst FeCoNiMnRu significantly enhances the surface migration energy barrier of Ru atoms, thereby effectively suppressing their dissolution during the oxygen evolution reaction, exhibiting enhanced durability.

MXenes terminated with the –O group are of paramount importance for fundamental research and applications; herein, we report a general method for the precise modification of –O termination on MXenes by employing low-pressure flash annealing.

2D conductive mesoporous engineering activates C–S bonds and boosts kinetics in >20 wt% sulfur-doped carbon (USC), enabling a USC@Ti₃C₂ heterostructure with ultrahigh capacity and exceptional rate performance.

A catalytically active and intimate interface between the electrode and electrolyte is crucial for the performance of solid oxide cells (SOCs).

We report LaNiO₃ perovskite as an ORR catalyst with synergistic effects of oxygen vacancies and functional groups. Thermal shock introduces defects, enhancing ORR performance with a limiting current density increase from 4.2 to 5.4 mA cm⁻².

We demonstrate the one-pot conversion of CO₂ into amorphous formate-based metal–organic frameworks (MOFs) that form grain-boundary-free monoliths with permanent porosity through hot-pressing.

MOF-derived CoSe₂/ZnSe bimetallic selenide nanoparticles confined in layered Ti₃C₂T_x MXene were employed as anodes for high-performance lithium-ion batteries, exhibiting superior rate capability and cycling stability.

Through controlling the terminal steric hindrance groups, we can fabricate high-performance organic solar cells with reduced nonradiative energy loss.

Conjugated polymers are vital for detecting harmful gases, but balancing gas diffusion and crystallinity is challenging. We demonstrate an ethylene glycol-based low crystallinity design that enhances NO₂ sensing and stability.

Covalently bonded interfaces with delocalized π electrons were successfully constructed via the rational design of a MOF-in-MOF heterojunction, which exhibited superior CO₂ photoreduction activity.

The synergistic effect of heterogeneous interfaces and doping optimizes electronic structure and accelerates charge transfer, significantly boosting alkaline water electrolysis performance.

A molecular ink-based approach enables the fabrication of BaZrS₃ thin films at moderate temperatures. This method incorporates boron sulfurization, which removes oxygen from the material while ensuring the formation of phase-pure BaZrS₃.

The study employs computational and data-driven methods to systematically screen AMSe₃, identifying highly promising, stable candidates free of toxic elements, paving the way for their potential use in next-generation optoelectronic applications.