Themed collection Recent Open Access Articles

High-throughput computational screening and machine learning accelerate the rational design of mixed metal compounds for diverse chemical looping applications, transforming materials discovery from trial-and-error to data-driven approaches.

Broad-range spectral management, spanning the 0.3–2.5 μm solar spectrum and the 8–13 μm atmospheric transmittance window, provides a pathway to net-zero energy greenhouses by integrating light, thermal, CO₂, and water regulation.

Air-to-ammonia via plasma-generated NO and NORR: engineered microenvironments, gas-fed interfaces, and techno-economic-constrained design rules link catalyst choice to stack architecture for scalable, distributed NH₃.

We are considering fundamental questions of how redox reactions take place and charge is conducted in redox solids. Redox properties of electrode materials can be explained by considering the Nernst equations for homogeneous or segregated materials.

This perspective explores the crucial yet underexplored topic of solvent effects in semiconductor photocatalysis, emphasizing both the challenges and the opportunities.

Despite tinted transmission, semi-transparent solar cells using the band selective method exhibit higher performance at similar transparency levels, with PCE (28% vs. 22%) and LUE (23% vs. 19%), thus higher power output in empirical city irradiance.

We propose a multi-scale analytics and modeling framework to fill the gap in integrating circular solar economy principles with ecosystem and climate commitments, enabling a holistic sustainability analysis of perovskite PVs.

Large-scale sustainable aviation fuel (SAF) production and use is essential to achieving net-zero aviation by 2050.

The market share of low-cost battery chemistries, which offer little to no recycling profitability with current methods, is growing. Design for circularity could be the key to reducing costs and enhancing sustainability for these batteries.

Cointercalation reactions, of particular interest for emerging battery cell chemistries, are more effectively controlled when matching electrolyte formulation with nanoconfinement properties within the interlayer space of host materials.

While perovskite-based photovoltaics is progressing toward commercialization, it remains an open question which fabrication technology – solution-based, vapor-based, or combinations – will pave the way to faster economic breakthrough.

Carbon accounting without life cycle analysis (LCA) is possible by requiring one ton of sequestration for each extracted ton of carbon. A carbon takeback obligation eliminates the need to track carbon through the supply chain.

Biohybrid systems of synthetic materials and microorganisms can be obtained using a range of assembly strategies based on their interactions. This influences charge transfer between the components and their efficiency for solar fuels generation.

A roadmap that delineates the major hurdles and essential RD&D actions to enable large-scale DACCS deployment.

We examine drivers and benefits of adopting circular economy practices for perovskite solar cells (PSCs), a promising low-cost PV technology, identifying key challenges and reviewing research progress towards achieving a circular economy for PSCs.

Highly concentrated (water-in-salt) electrolytes possess peculiar ionic interactions, solvation structure, ion transport, capability to form an SEI, etc. This perspective discusses the role of the salt anion on such properties.

A multi-technique operando study reveals a three-stage sodium storage mechanism in hard carbon—surface adsorption, accumulation, and pore filling—while classical intercalation is found to be insignificant under practical conditions.

To introduce the potential for tuneability of the cathode in lithium mediated ammonia synthesis, we report a carbon cathode which produces ammonia at a Faradaic efficiency of 37%.

This work employs online gas chromatography and hydrogen oxidation current measurements for accurate quantification of the hydrogen crossover rates in proton exchange membrane water electrolyzers operating at high differential pressure.

Dislocations were introduced into BaTiO₃ single crystals and become catalytically active centers.

Formulating and establishing design principles to improve low-temperature performance of battery electrolytes.

Demonstration of a new three-terminal semiconductor photoabsorber architecture for photoelectrochemical fuel production that enables protection of the semiconductor in the dark.

The diffusion coefficient (10⁻¹¹ to 10⁻¹⁰ cm² s⁻¹) and ion concentration (10¹⁵ to 10¹⁷ cm⁻³) for Au_i⁺ in MAPbI₃ were quantified via diffusion modelling. Gold species can be reversibly plated on or stripped from the cathode electrolytically.

A novel metric is proposed to simultaneously assess and optimize output energy and energy conversion efficiency of TENGs.

Leveraging tris(pentafluorophenyl)borane (BCF) to regulate crystallization of perovskite by the boron–halogen and hydrogen bonding effects enabled a PCE of 23.49% and 31.12% at 1.68 eV for single-junction PSCs and perovskite/Si TSCs, respectively.

Understanding the crystallization kinetics of Br–I mixed-halide WBG perovskite films, and their correlation to the crystallographic structure and charge transfer dynamics, is critical for advancing WBG perovskite devices.

Magnetic resonance studies of battery electrolytes reveal that coordination of metal ions dissolved from cathodes differs between pristine and degraded electrolytes.

Understanding how to optimize the electronic processes and material selections are fundamental to fostering the development of organic solar cells (OSCs).

The first application of disordered rocksalt (DRX) materials in aqueous zinc-ion batteries (ZIBs) demonstrates DRX ZnMnO₂ as a versatile cathode for anode-free configurations, overcoming zinc anode degradation challenges.

Through real-time visualization of the spread of spontaneous electron transfer across conductors and in situ operando ECMS, we unveil and quantify the central role of current collector material in resting capacity losses in zinc metal batteries.

We present a scalable method to manufacture gas diffusion media with tailored microstructures, enhancing polymer electrolyte fuel cell performance and offering a path beyond the traditional carbon fiber paradigm in electrochemical technologies.

This study pioneers a solvent-additive cascade strategy to achieve crystallographically homogenous perovskite films, breaking the efficiency–stability trade-off by harnessing facet-dependent properties for record performance.

Correlative analysis reveals operational mode-dependent PEMWE degradation, highlighting Pt dissolution and Ir oxidation as key durability challenges.

Coupling in situ monitoring with supersaturation-rate calculations, we employ a facile solvent-engineering strategy to balance supersaturation rate and coordination capability, enabling 25.38% PSCs (0.09 cm²) and a 23.22% mini-module (21.84 cm²).

A physics-based network model of primary particles, informed by tomography, predicts LiFePO₄ electrode behavior across conditions without empirical tuning, bridging particle-scale physics to cell performance.

MnO₂ dissolution during first discharge in neutral Zn–MnO₂ batteries originates preferentially from Mn–Mn edge-sharing coordination.

A rigid–flexible synergistic crosslinking polymer forms a thermodynamically stable structure with rigid scaffolds and flexible frameworks, reducing thermal vibrations, suppressing bulk charge transport, and enabling high-temperature energy storage.

The CoO₆ octahedral distortion induced by A-site high-entropy engineering enhances lattice oxygen activity and boosts high-temperature oxygen evolution reaction performance in solid oxide electrolysis cells.

PP and J–V prediction models were developed using the PM6:L8-BO dataset. By combining an accumulated and a small new-component dataset, ML model predicts ternary device performance enabling generalization of the model to unexplored material systems.

The mechanical degradation of polycrystalline NMC811 cathode particles during electrochemical cycling was investigated using powder compression and nanoindentation in situ SEM.

Amorphous coordination-polymer cathodes enable versatile storage of Mg²⁺, Ca²⁺, Sr²⁺, Ba²⁺, and Zn²⁺ without solvent or anion co-intercalation. Delocalized charge and disordered coordination deliver high voltage, low hysteresis, and fast diffusion.

We investigate failure mechanisms driven by chemical and electrochemical processes through ex situ/in situ techniques and theoretical simulations, and propose rational design strategies for reversible vanadium oxide-based Zn batteries.

The ion transport rates of lithium argyordite solid-state electrolytes can be improved by removing short range order whilst maintaining a preference for S²⁻ on 4a and Cl⁻ on the 4d sites.

A novel weakly solvating solvent-based quasi-solid electrolyte (WS-QSE) using ring ethers for sodium batteries achieves superior cycling performance through a designed anion-dominated sodium ion solvation structure.

High-energy density, temperature resilience, and sustainability are desirable yet rarely simultaneously achieved properties in lithium-battery electrolytes.

Mechanistic understanding of internal pressure differences in anode-free Li metal batteries and their impact on Li distribution and morphology evolution on Cu electrodes during initial Li plating, visualised by ToF-SIMS mapping and PFIB-SEM imaging.

Battery design is linked to real-world applications using a battery-design-aware machine learning framework built on a digital twin model, ultimately contributing to safer and longer-lasting next-generation batteries.

We engineer a 5-nm sulfonated membrane via oligomer assembly, achieving fast and selective ion transport. This exceptional performance stems from sub-Debye-length nanoconfinement (0.6 nm), charge-directed transport, and ultrashort pathways (5 nm).

Gas evolution is an inherent aspect in batteries. We present an optical fiber spectroscopic technique for operando gas sensing, enabling comprehensive mechanistic studies in batteries and broader electrochemical energy systems.

A paired electrolysis system converts CO₂ to CO and ethylene to ethylene glycol in acid. Using an Ru–POM mediator and gold-modified electrodes, it achieves high selectivity, stability, and improved CO₂ utilization.

An SIPE with synergistically optimized mechanical properties and ionic conductivity is designed in this work and the transport mechanism of Li⁺ is revealed by MD simulations. The formation of a stable SEI layer promotes uniform Li⁺ deposition.

We propose a universal theoretical framework for 3D thermoelectric leg design that integrates geometry, material properties, and boundary conditions. Experimental validation with printed (Bi,Sb)₂Te₃ demonstrates up to 466% efficiency improvement.

Multi-step fibrillation processing enables dual-fibrous PTFE structure for high-areal-capacity dry electrode, offering microscale homogeneity and mechanical integrity towards practical lithium batteries.

An oscillating float-type triboelectric nanogenerator (OF-TENG) captures low-frequency ocean wave energy (0°–360°), delivering a current of 0.31 mA, a peak power of 111.56 mW, and an average volumetric power density of 21.58 W m⁻³ at 1 Hz.

A novel graphene oxide-enhanced poly(ether-block-amide) artificial solid electrolyte interphase enables directional Zn²⁺ pumping via functional group-electronegativity synergy, promoting uniform deposition and dendrite suppression.

Alkaline water electrolysis provides a scalable and cost-effective route for hydrogen production. This work uncovers distinct HER/OER kinetics and introduces a dual-sensing strategy to guide catalyst design and enhance system performance.

Understanding the fundamental processes that govern formation of the solid electrolyte interphase (SEI) layer in lithium mediated nitrogen reduction is crucial to the design of improved electrolyte formulations.

Electrochemical oxidation of Li-ion electrolytes generates highly reactive protons that trigger cascading degradation of solvents, salts, and cathodes, revealing a critical origin of battery performance loss.

Electroadsorption analysis enables the determination of reaction intermediates to accelerate the design of next generation electrocatalysts.

Specific interactions with fluorinated polymers enhance the thermal stability of perovskite photovoltaic devices along with achieving bulk and interface defect passivation.

This article uncovers the role of an electrified chemical industry in the energy system's transition to net-zero emissions. This role includes valuable flexibility provision, going beyond reducing the chemical industry's hard-to-abate emissions.

Future iron and steel production is likely to consume large shares of the carbon budget, even under optimistic decarbonization scenarios. Electrifying steel production has co-benefits but may cause trade-offs in other environmental impact categories.

In this study, we examined three cosolvents with distinct solvation capabilities for ionic-liquid electrolytes based on 1-methyl-1-propyl pyrrolidinium bis(fluorosulfonyl)imide (Py13FSI).

This study reports an additive screen-printing method for a high-performance fully printed planar 3D TEG, achieving a milliwatt-scale power output of 1.22 mW at ΔT of 43 K, underlining its potential for battery-free IoT applications.

Controlling the growth of polycrystalline perovskite films to achieve a favourable termination can significantly reduce interfacial losses and enhance the output voltage in wide-bandgap and all-perovskite tandem solar cells.

Ionic soft polymers regulate the segmental dynamics of the side chains, forming reversible ion clusters. The ion clusters enhance Li⁺ conduction and electrode durability, realizing an ultrathick cathode for high-energy-density energy storage.

Ligand engineering is an effective method to reduce defects in perovskite solar cells (PSCs) and to enhance efficiency.

Photochemical assessment shows ethylene carbonate does not react with singlet oxygen, indicating degradation within nickel-rich cells follows an alternative route.

This study provides direct evidence that pristine L8BO exhibits interfacial charge generation, challenging prior Y6 studies on intrinsic free charge generation.

Molecular simulations, experiments, and techno-economic analysis propose cost-efficient direct air capture at near-cryogenic temperatures via LNG regasification integration.