Themed collection Journal of Materials Chemistry A Emerging Investigators

Journal of Materials Chemistry A profiles contributors to the Emerging Investigators issue.

Ab initio molecular dynamics can be massively accelerated using equivariant neural networks applicable to predict the properties of electrolyte solutions for predictive design in materials applications.

The dissipation of static charge generated by contact electrification occurs readily into all interfaces of matter via different fundamental mechanisms and critically affects the desired level of steady-state charge in practical applications.

Here we document the reduction in porosity observed in MOFs upon their glass formation, propose routes to improve this porosity, and speculate on prospective future adsorptive applications.

Perovskite nanocrystals embedded in metal–organic frameworks (PeMOF) are a new nanoscale heterostructure for stable photonic sources. This perspective discusses the properties of PeMOF structures and their current progress in photonic devices.

Phosphorene (few layer black phosphorus) has the potential to be an efficient catalyst for H₂ evolution from water splitting reaction. This perspective highlights functionalized phosphorenes and explores their use in catalytic H₂ production.

The novel hybridized and integrated nitrogen fixation system has been demonstrated based on the self-power triboelectric nanogenerators as the power generator, which supplies the new framework for future energy harvesting and conversion.

In this review, we explain the influence and role of the multiscale hierarchy of cellulose fibers in their chemical modifications as exemplified through recent advances in the spatioselective surface chemistry of nanocelluloses.

This review provides an in-depth general overview on various types of heterogeneous CO₂ reduction in aqueous phase with a detailed discussion on EC, PEC and PV-EC/PEC processes including a thorough coverage on the futuristic MEA system.

X-ray photoelectron spectroscopy is a key characterisation technique in the study of interfacial reactions within modern rechargeable batteries.

In this article, we systematically summarize MXenes as both catalysts and supports in thermal catalysis, emphasizing the termination groups, active sites, and the metal–MXene interactions.

We review the oxygen redox reaction in lithium-rich cathodes from structural perspectives. The structure–OR coupling, structural evolution, and efficient structural control strategies are introduced, followed by an outlook on future rational design.

The fundamental understanding and rational regulation of effective metal–sulfur conversion reactions in metal–sulfur batteries.

This review summarizes recent progress on versatile roles of surface wettability in water vaporization, condensation, transport, and salt nucleation, growth, removal, and the overall energy/mass transfer efficiency in solar desalination systems.

An emerging subclass of MOFs based on infinite secondary building units (ISBUs) has been surveyed in terms of their synthesis, structure and applications.

Introducing chirality into metal halide semiconductors brings spin-polarized charges and excitons, exotic chiroptical and spintronic properties, as well as application potential in optoelectronics and spintronics devices.

Several advanced characterization methods used for defect passivation were reviewed, including capacitance measurements, spectrometry and microscopy characterizations, as well as some newly applied in situ techniques.

The rapid development of wearable devices has put forward high requirements for stable, solid-state, flexible and even stretchable energy storage systems.

Here we summarize the recent developments of catalysts and electrolyzers for the CO₂ reduction reaction, which have improved product selectivity and enabled the delivery of industrial-scale current densities.

The currently strategies for activating the TMDC basal planes toward hydrogen evolution reaction were summarized, which are divided into internal and external regulation, depending on whether the pristine structure is altered or not.

In this review, particular attention is focused on the atomic degradation mechanisms of Mn-based layered oxide materials induced by the Jahn–Teller effect and the manipulative strategies for structural stability are highlighted.

We highlight the defect engineering of transition metal catalysts to tailor reactive oxygen species in advanced oxidation processes in a controlled manner for sustainable environmental applications.

An overview of carbon–polymer nanocomposites for perovskite solar cells.

The review overviews the mechanism of C–H activation through electron–hole mediated pathways in photo and electrocatalysis, and introduces various strategies to increase the conversion of CH₄ as well as the selectivity to desired products.

In this review, recent electrolyte design strategies and progress are given, along with the discussion of relative key features and properties, as well as the practical design and considerations.

The unique semiconductor properties, synthetic strategies, and corresponding optoelectronic applications of quasi-2D halide perovskite crystals are summarized and discussed in this review.

The review provides the recent progress in the processing of functional devices using oriented 2D nanomaterials and highlights the alignment strategies that contributed to the enhancement of device performance.

In this review we highlight the benefits of perovskites beyond photovoltaic technology, focusing on their use as lasers, light-emitting diodes or sensors, including technologies such as gamma-ray detection or aerospace applications.

The incorporation of isovalent Sb³⁺ into all inorganic lead-free CsBi₃I₁₀ leads to the improved crystal growth and reduced bandgaps. Solar cells based on Cs(Bi_0.7Sb_0.3)₃I₁₀ yield a champion PCE of 1.54% with a high V_oc of 0.81 V.

A bi-phase ionic conductive polyether-based composite electrolyte was obtained by in situ polymerization, which synergistically achieves high ion-conduction (6.6 × 10⁻⁴ S cm⁻¹, 25 °C), and a chemically stable solid electrolyte interphase.

The incorporation of Cu single atoms into Fe-based single-atom catalysts (Fe-SACs) can regulate the coordination environment of Fe active sites and significantly enhance the oxygen reduction reaction (ORR) performance.

A Purcell factor of 2.6, obtained by matching the emission wavelength of phosphor with the Mie scattering resonance of TiO₂ nanoparticles, and small stokes shift improve the effective solar reflectance of fluorescent cooling coatings by up to ∼4%.

Plastic wastes are converted into two-dimensional carbon nanosheets with a graphitic-like structure and interlayer channels for improved solar evaporation performance.

A green route to prepare Zr-based MOF-808 with controlled crystal size have been developed. MOF-808 is able to decontaminate wastewater by simultaneously degrading a toxic pesticide and recovering phosphate ions.

In this study, the relationship between structure, cation disorder and Na-ion conduction properties is elucidated in a series of Na_3−xY_1−xZr_xCl₆ solid electrolytes.

Functionalisation of graphene with functional groups affords promising supports for electrocatalysts due to their improved durability and enhanced specific activity compared to commercial systems.

Hard stoichiometric WB₄ is synthesized under high-pressure and high-temperature conditions.

Electropolymerized conjugated microporous polymer (CMP) membranes enable molecular sieving in organic solvents under extreme conditions.

Non-fused electron-accepting π-conjugated compounds have been investigated recently for application to nonfullerene acceptors (NFAs) in organic solar cells (OSCs).

A strategy for marine waste upcycling and CO₂ utilization by the recovery of high-value monomer from fishing net waste using seashell waste-derived catalysts in the presence of CO₂.

An exotemplate synthetic approach is demonstrated to prepare porous polyaminoamides with ultrahigh multimedia iodine capture ability and excellent chemical, thermal and radiation stability.

The Au/CaNb₂O₆ electrospun NFs exhibited ∼100.9-fold enhancement of the photocatalytic activity for water splitting as compared to the traditional CaNb₂O₆ NPs due to the unique nanostructure property and plasmon-mediated hot electron transfer.

Semi-oxidized Co pre-catalysts are oxidized and self-assembled into defective CoOOH with a much higher O vacancy density during the OER, benefiting the bonding of oxygen species on the catalyst surface and promoting the catalytic activity.

We report an in situ catalyst regeneration strategy that can extend the operation time of Cu-based catalysts for electrochemical CO₂ reduction many times.

Rod-shaped SU-101 catalysts exhibited a high HCOO⁻ Faraday efficiency of 93.66% at −1.10 V vs. RHE due to the unique hexacoordinated Bi³⁺ site of SU-101.

The reported Ir p-NH catalytic structure integrates porous architecture with hollow morphology and delivers enhanced OER electrocatalytic efficiency over solid counterparts in acidic media.

Laser-induced amorphous CoS_x nanospheres anchored on carbon fiber cloths are reported. Profiting from the amorphous nature of CoS_x, the enhanced electrocatalytic HER and NRR performance with good proton activation and nitrogen adsorption abilities were obtained.

Nb doped TiO₂ NCs exhibit a selective modulation in the VIS and NIR regions associated with polaronic and plasmonic absorptions. Comprehensive in situ electrochemical XAS, spectroelectrochemistry and EIS experiments allow us to unravel and independently study these two phenomena.

Solar thermal-activated photocatalysis (STAP) has been developed as an efficient sustainable technology for hydrogen generation and aqueous triethanolamine polymerization initiated by heterogeneous photocatalysts under solar light irradiation.

A general modification for the solid-state reaction preparation of energy-storage materials is explored through using sintering aids with redox activity.

Nitrile-based electrolytes are attractive for low temperature Li-ion batteries.

Electrocatalytic biomass valorization represents a promising route to produce sustainable and carbon-neutral products, especially when coupled with hydrogen production.

Oxychalcogenides represent a large chemical space with potential application as thermoelectric materials due to their low thermal conductivity.

A crucial ingredient in lithium (Li) and sodium (Na)-ion batteries (LIBs and NIBs) is the electrolyte.

Cu₃TaS₄, a ternary chalcogenide, is a promising photovoltaic material. The growth of Cu₃TaS₄ occurs via the formation of Cu_2−xS with Cu vacancies. Ta incorporation occurs in the Cu_2−xS at Cu vacancy sites, followed by diffusion of Ta to form Cu₃TaS₄.

Spatial distribution of triplet excitons near the organic semiconductor interface is clarified. The result indicates that 90% of the triplet excitons are confined to less than 10 nm from the interface, where photoelectric conversion and charge recombination occur.

A subsurface carbon tailored Ni–Ga intermetallic catalyst delivers superior catalytic performance for acetylene semi-hydrogenation.

This work prepared a series of novel nucleobase modified sulfonated poly(ether ether ketone) membranes for high-performance direct methanol fuel cells.

Atomically minimized IrO_x/Ir bi-phase catalysts loaded on nitrogen-doped carbon nanotubes were employed as cathodes for high-performance and environmentally friendly Li–CO₂ cells, enabling simultaneous energy storage and CO₂ capture and storage.

A scalable synthesis of magnesium ion imprinted nitrogen-doped carbon allows for facile preparation of large quantities of Fe–N–C, for large-scale fuel cell research.

Text-mining inspired study on halide double perovskite formation using in situ structural and optical probes.

A simple electrolyte formula of “single salt single solvent” —1 M LiDFOB in ES—enables the stable operation of an NCM622|Li full cell (2.5 mA h cm⁻², N/P = 4) under harsh conditions of high voltage (4.6 V) and wide temperature range (−30 to 60 °C).

A Te dopant segregated along the grain boundaries as precipitates in CoSbS resulted in increased grain size, leading to unusual thermoelectric properties.

Self-standing sulfur cathodes with fibrous skeletons and porous structures were fabricated by incorporating Fe single atoms into electrospun carbon nanofibers, leading to enhanced polysulfide retention and catalysis for Li–S batteries.

MgH₂/single-atom heterojunction systems were designed with improved dehydrogenation performance for hydrogen storage applications.

Enzyme/MOF composites with high activity and stability were synthesized via the pressure-induced-stimulated-aging (PISA) strategy.

Photoexcited charge manipulation was demonstrated by molecular engineering in conjugated polymers, bearing a Ru(II) complex as the CO₂ reduction photocatalyst.

A CoS/1T-WS₂ heterostructure enhances the affinity of oxygen molecules through modulating the electronic structure and effectively retards the phase transformation during catalysis, thereby delivering an impressive electrocatalytic performance.

An asymmetric electrolyte design has been proposed for lithium-ion capacitors which was enabled by a metal–organic framework modified separator because of the physical obstruction and chemical interactions toward the soluble redox mediators.

An amorphorized Cu(PO₃)₂/C composite (A-CPO/C) achieves outstanding electrochemical performances compared to a low-crystalline Cu(PO₃)₂ (LC-CPO/C) composite.