Iftikhar Hussain

Nano-aluminum (nano-Al) is a high-energy-density material with exceptional reactivity, making it promising for aerospace and military applications. Reducing particle size increases the active surface area and interfacial mass diffusion, but intrinsic agglomeration and dense alumina shells hinder diffusion. Conventional additives often reduce reactivity. Here, we modulate nano-Al interfacial diffusion through synergistic interactions in a V2C MXene heterostructure. The self-assembly of nano-Al on MXene suppresses agglomeration, while fluorine-containing terminations etch the alumina shells. The heterostructure also forms metal oxide contact layers that promote solid-phase thermite reactions. These effects increase the peak heat flow in air to 107.6 W g−1, 3.5 times that of pristine nano-Al. Solid-phase reactions complete energy release before Al melting, minimizing energy loss. The composite shows larger flame areas and a lower minimum ignition concentration (≥5 wt %). Adjusting the heating temperature reduces the total combustion duration by 88.9% and increases the dynamic pressure. This versatile fabrication process enables tunable performance for diverse operational environments.

We demonstrate a tunable organic/inorganic metal–organic framework (MOF) structure, constructed on in‐plane MBene ( i ‐MBene) to serve as electrodes for supercapacitors. Bimetallic Zn/Cu MOF was synthesized and hybridized in situ over in‐plane Mo _4/3 Y _2/3 B ₂ (ZC‐MYB), whereas i ‐MBene was produced by etching aluminum layers using hydrofluoric acid. The ZC‐MYB composite demonstrated a 46% increase in specific capacitance compared to ZC MOF and a 5.6‐fold increase over i‐ MBene at 1 A/g in hybrid (asymmetric) supercapacitors. The ZC‐MYB composite exhibited an 81% cyclic durability over 9000 cycles. The apparent diffusion coefficient of ZC and ZC‐MYB obtained from the Warburg element decreased, while electrochemical impedance analysis exhibited a much lower polarization resistance and a CPE response closer to the ideal capacitive behavior in 6 M KOH. The ZC‐MYB/AC device, operating as an asymmetric supercapacitor, demonstrated a specific capacitance of 73.4 F/g at a scan rate of 2 mV/s and maintained a voltage window of 1.6 V. A Random Forest model trained on 200 experimental observations from 35 independently synthesized samples showed a moderate within‐domain prediction ( R ² = 0.522), under a leave‐one‐sample‐out validation. However, very low prediction of the high specific capacitance data illustrated the role of the model as an exploratory, rather than a universal predictor.

MBenes, a newly developed family of 2D transition‐metal boride materials, has gained considerable attention in recent years. MBenes have demonstrated encouraging potential in various fields, including energy storage, electrocatalysis, biomedical applications, environmental remediation, and sensing technologies. Despite rapid growth in MBene research, no comprehensive review has yet collectively evaluated their potential for pollutant adsorption from water, solar‐driven desalination, and environmental sensing. This article provides the first systematic assessment of MBene applications across the aforementioned areas. The performance of MBene‐based adsorbents in remediating diverse contaminants is critically evaluated, with particular emphasis on MBene‐pollutant interactions, adsorption pathways, and the factors governing contaminant removal. MBene‐integrated membranes for photothermal steam generation are examined with a focus on light absorption, solar‐to‐vapor conversion efficiency, evaporation flux, and operational stability. Additionally, MBene‐enabled sensing platforms, including surface‐enhanced Raman spectroscopy (SERS) and electrochemical sensors, for detecting various environmental contaminants are reviewed. Key technological challenges related to synthesis scalability, structure–property relationships, stability and safety, and environmental sustainability are discussed, together with future recommendations for real‐world deployment. By consolidating insights across three rapidly advancing domains, this review establishes unifying principles and offers guidance for designing advanced MBene materials for sustainable water purification and environmental sensing technologies.

Single‐atom alloys greatly expand the design space of heterogeneous catalysts, yet adsorbate binding on these materials often cannot be captured by a single universal principle. Here, we show that oxygen binding on single‐atom alloys is instead governed by distinct adsorption regimes that arise from different physical origins. Using more than 1,000 density functional theory calculations, we combine interpretable machine learning with descriptor analysis to identify three governing mechanisms and define their domains of validity. Oxygen binding is controlled by the d ‐band center theory on early transition metal hosts, follows the ten‐electron counting rule on late transition metal hosts, and is further modulated by coordination effects in a complementary structural regime. This regime‐based framework explains why conventional global models fail to capture adsorption trends across chemically diverse alloys. By accounting for distinct physical regimes, it enables more reliable prediction of oxygen binding and supports high‐throughput screening of single‐atom alloys. Our results establish adsorption‐regime mapping as a general strategy for interpretable catalyst discovery beyond single‐descriptor approaches.

The development of high‐performance cation‐intercalated‐based electrochemical energy storage devices (EESDs), exhibiting high pseudocapacitance and long cycle life, demands for a rational, cost‐effective, and promising electrode materials. Two‐dimensional (2D) titanium carbonitride (Ti ₃ CNT _x ) MXene is emerging as a key member of the MXene family for electrode applications in EESDs due to its high electrical conductivity and rich surface chemistry. Here in, we investigated the method to reduce sheet restacking and to significantly improve the aggregated structure of Ti ₃ CNT _x MXenes, which leads to higher gravimetric capacitance by hydrophilic cations (Li ⁺ , Na ⁺ , Mg ^{2 +} ) and hydrophobic cation (K ⁺ ) intercalation. In potassium ions‐intercalated Ti ₃ CNT _x MXene (K ⁺ ‐Ti ₃ CNT _x ), the hydrophobic nature of K ⁺ inevitably enhances the number of redox‐active sites, resulting in improved environmental stability and superior electrochemical performance through a pillaring effect, emerging as a high‐performance anode material for advanced potassium‐ion storage devices. Notably, the engineered K ⁺ ‐Ti ₃ CNT _x exhibited a high charge storage capacity of 1003 F g ⁻¹ , which represents an almost threefold increase compared to delaminated Ti ₃ CNT _x (d‐Ti ₃ CNT _x ), outperforming the already reported conventional supercapacitors. Moreover, the AC //K ⁺ ‐Ti ₃ CNT _x device exhibits an excellent energy density of 37 W h kg ⁻¹ and remarkable long‐term cycling stability of 95%, coupled with a Coulombic efficiency greater than 99% over 10 000 cycles.

Nanothermites offer the dual advantages of high energy density and exceptional reactivity, making them highly promising for advanced energetic applications such as aerospace and microelectromechanical systems (MEMS). However, their mass transfer efficiency is hindered by nanoparticle agglomeration. Achieving structurally modified nanothermites with large, controllable interfacial contact without sacrificing energy release is challenging. To address this issue, we propose a strategy to mediate the heterogeneous growth of metal–organic frameworks (MOFs) on nanoaluminum (nano-Al) using layered double hydroxides (LDHs). The resulting Al@porous metal oxide (Al@pMO) from Al@MOF maximizes interfacial contact without introducing interlayers. The composition of Al@pCuO derived from Al@HKUST-1 is precisely adjusted by varying the feed rate of HKUST-1. Uniform growth of HKUST-1 thin films on nano-Al at high feed rates results in a sub-10 nm layer thickness in 10% Al@HKUST-1. Lower feed rates promote MOF growth to encapsulate nano-Al. Al@pCuO with 33 wt % CuO demonstrates a 3-fold enhancement in energy release in argon compared to Al/CuO mixtures, achieving 78% of the theoretical heat release. The growth mechanisms of LDH and MOF are further discussed. Notably, 10% Al@pCuO with an extreme equivalent ratio (Φ = 48.9) is successfully ignited, indicating more efficient mass transfer. The larger flame areas and higher dynamic pressures of Al@pCuO compared to Al/CuO mixtures highlight its enhanced energetic performance. This strategy provides a solution to the dilemma of interfacial contact and energy release. Al@pCuO with highly efficient energy release and precisely adjustable compositions shows excellent potential for MEMS and aerospace applications.