Bimetallic catalysts offer enhanced catalytic performance through synergistic interactions between the two metals, allowing them to break the linear scaling relations and reach high electrocatalytic activity. This study presents bimetallic aerogel-based catalyst synthesized as a covalent, three-dimensional framework containing neighboring iron and manganese sites. The

Anode-less sulfide-based all-solid-state batteries (ASSBs) have emerged as promising candidates for next-generation energy storage, offering high energy density, enhanced safety, and simplified cell design. By eliminating excess lithium (Li) metal and relying solely on Li extracted from the cathode, these systems significantly improve gravimetric and volumetric performance

All-solid-state lithium-ion batteries (ASSLBs) are a promising next-generation energy storage technology for their enhanced safety and high energy density. In this study, we develop high-performance ASSLBs utilizing a Ni-rich single-crystalline NCM811 (SC-NCM811) cathode and a Li₆PS₅Br argyrodite solid electrolyte. By optimizing the cathode material and stack pressure

Although the enzymatic mechanisms of terpene synthases have been extensively characterized through experimental and computational studies, the atomistic details underlying the product release process have remained elusive. In this study, we present the first atomistic simulations of the initial stages of product release in a terpene synthase, using the bacterial diterpene

Various carbonaceous anode materials have been developed to improve both the rate and capacity characteristics of Li-ion batteries (LIBs), and yet the performances of the anodes depend on the quality of the inevitable and uncontrollable growth of the solid–electrolyte interphase (SEI), resulting from the electrolyte reduction and decomposition during the initial cycles

Achieving high capacity, long-term stability, and fast charge–discharge capability remains a central challenge in the development of advanced anode materials for lithium-ion batteries. In this work, we present nickel vanadium oxyphosphide (NVOP) nanosheets synthesized via controlled thermal phosphorization of NiV-layered double hydroxide (NiV-LDH). The resulting multiphase

Solid polymer electrolytes (SPEs) present a promising alternative for rechargeable batteries with aprotic liquids. Although SPEs were extensively researched for several decades, recent studies have gained momentum in response to growing demand for safer battery options. While various electrochemical and spectral methods for characterizing polymeric electrolytes were

Electrocatalytic hydrazine oxidation holds great promise for enabling fuel cell-powered transportation since hydrazine hydrate (N₂H₄·H₂O) has the highest energy density of all liquid, CO₂-free fuels (3.45 kWh/L), and the highest fuel cell voltage (1.56 V vs O₂). Inspired by the ruffling of catalytic centers in oxidative enzymes, we designed a twisted single-atom nanozyme

Replacing common polymeric binder materials in lithium-ion batteries (LIBs) with more sustainable and environmentally friendly options is one of the challenges in designing new generations of LIBs. Here, we explain how incorporating protein-based polymers into the binder formulation can enhance binder performance in the graphite anode of LIBs. The electrode preparation

Sodium-ion batteries are progressively scrutinized for their economic viability and natural abundancy of resources. However, their practical implications are hampered by their limited energy density, primarily stemming from cationic redox reactions in transition-metal based cathodes. Achieving higher energy density via anionic redox activation is one of the promising

With a high theoretical capacity of 274 mAh, LiCoO₂ (LCO) is commonly used as a cathode material in portable devices and different Li-ion batteries (LIBs) applications. However, its practical capacity is lower than the theoretical value due to interfacial degradation pathways that limit the cathode operating voltage. In this work, we demonstrate an advanced and efficient

Hydrogen is a green and sustainable energy vector that can facilitate the large-scale integration of intermittent renewable energy, renewable fuels for heavy transport, and deep decarbonization of hard-to-abate industries. Anion-exchange-membrane water electrolyzers (AEM-WEs) have several achieved or expected competitive advantages over other electrolysis technologies

Carbon-based supercapacitors (SCs) have emerged as promising candidates for high-power, fast-charging energy storage, bridging the performance gap between traditional capacitors and batteries. This perspective explores the current landscape and future direction of carbon-based electric double-layer capacitors (EDLCs), focusing on activated carbon, graphene, and their

While high-mass-loading electrodes are desirable for achieving high energy density of lithium-ion batteries, their large thickness restricts charge transport, compromising electrochemical performance. Here, we introduce stencil-printable graphene on separators for lithium-ion batteries with high-mass-loading electrodes. Graphene nanoflake inks are formulated with

Rechargeable aqueous Zn-based batteries represent a family of promising energy storage and load leveling technologies due to their safety and low production cost. However, the reversibility of Zn metal electrodeposition is challenged by the non-uniformity of deposition, and by the electrochemical constraints of metals in water-based electrolyte solutions. This research

Layered lithiated oxide cathode materials with mixed transition metals (TMs), such as Ni–Co–Mn (NCM), are the workhorses of Li-ion batteries in the current electric vehicle industry. Among NCM cathodes, Ni-rich (Ni >50% of all TMs) variants can provide high capacities of ∼220 mAh/g, but they suffer from faster capacity fading than their low Ni-content NCM counterparts

Van der Waals (vdW) heterostructures (HSs) have attracted intense interest worldwide as they offer several routes to design materials with novel features and wide-ranging applications. Unfortunately, vdW HSs are currently restricted to a small number of stackable layers due to the weak vdW forces holding adjacent layers together. In this article, computational studies

Fe single atoms in N-doped C (Fe-N-C) present the most promising replacement for carbon-supported Pt-based catalysts for the O₂ reduction reaction at the cathode of proton exchange membrane fuel cells (PEMFCs). However, it remains unclear how the I/C ratio affects Fe-N-C degradation and the stability of single Fe atom active sites (FeN_x). Here, an accelerated stress

Developing high-voltage all-solid-state lithium metal batteries (ASSLMBs) holds transformative potential for next-generation energy storage technologies but remains a formidable challenge. Herein, a new prototype design is presented that integrates fluorinated ether segments into the traditional oxide nanocomposite phase, enabling poly(ethylene oxide)-based composite

Electrocatalysis of the oxygen reduction reaction (ORR) is critical for energy generation in the scheme of the hydrogen economy. Scientists have been trying to replace platinum group metal (PGM) catalysts for this reaction with PGM-free catalysts to lower the cost of fuel cells. In the past decade, significant attention has been given to the design and synthesis of dual

The electrochemical impedance spectroscopy (EIS) technique is applied to study the effect of NO_x contamination on polymer electrolyte fuel cells (PEMFCs). The analysis is done by finding the underlying distribution function of relaxation times (DFRT, a.k.a. DRT) utilizing impedance spectroscopy genetic programming (ISGP). NO₂-contaminated PEMFCs generate negative loops

Molybdenum disulfide (MoS₂) monolayers are two-dimensional materials belonging to a family of materials called transition metal dichalcogenides which have been widely studied as potential semiconductors for next-generation ingredients in transistor technology. Electronic devices’ performance is largely influenced by defects, and in the case of MoS₂, the most dominant

Energy-efficient, safe, and reliable Li-ion batteries (LIBs) are required for a wide range of applications. The introduction of ultra-thick graphite anodes, desired for high energy densities, meets limitations in internal electrode transport properties, leading to detrimental consequences. Yet, there is a lack of experimental tools capable of providing a complete view

The development of efficient electrolytes is crucial for advancing magnesium (Mg) batteries, which hold promise for next-generation energy storage systems. Previously, electrolytes such as [Mg₂(μ-Cl)₃ ⋅ 6THF]⁺ [Ph₄Al]⁻, A, and [Mg₂(μ-Cl)₃ ⋅ 6THF]⁺ [Ph₃AlCl]⁻, B, have been studied, but their performance has been limited by issues related to ion dissociation and

Despite possessing a high gravimetric capacity above 230 mAh g^–1, Li-rich NMC oxides suffer from the bottleneck of capacity fading and a decrease in the discharge voltage upon cycling. Therefore, suppressing the discharge voltage decay is a major concern for employing these cathodes in Li-ion cells. To understand the structural change during initial cycles, the ex-situ

The community is exploring sustainable alternatives for grid-scale energy storage. Besides lithium-ion batteries (LIBs), such technologies with a focus on sustainability aspects offer only a limited solution for grid-scale energy storage. Rechargeable metal-air batteries (MABs) based on affordable abundant multivalent metal anodes in aqueous medium provide promising

EnzyDock is a multistate, multiscale CHARMM-based docking program which enables mechanistic docking, i.e., modeling enzyme reactions by docking multiple reaction states, like substrates, intermediates, transition states, and products to the enzyme, in addition to standard protein–ligand docking. To achieve docking of multiple reaction states with similar poses (i.e.