Materials Today Physics最新文献

{"title":"Electronic and phononic characteristics of high-performance radiative cooling pigments h-BN: A comparative study to BaSO4","authors":"Ziqi Guo ,&nbsp;Ioanna Katsamba ,&nbsp;Daniel Carne,&nbsp;Dudong Feng,&nbsp;Kellan Moss,&nbsp;Emily Barber,&nbsp;Ziqi Fang,&nbsp;Andrea Felicelli,&nbsp;Xiulin Ruan","doi":"10.1016/j.mtphys.2025.101721","DOIUrl":"10.1016/j.mtphys.2025.101721","url":null,"abstract":"<div><div>A thin layer, lightweight, and ultra-white hexagonal boron nitride (h-BN) nanoporous paint has been developed recently. However, the underlying atomic and nanostructural physics of the paint’s radiative cooling performance remains quite elusive. In this work, a multiscale, multiphysics computational framework is employed to gain atomic level insights of the high radiative cooling performance. By leveraging first-principles calculations to study the electronic transitions and phonon dynamics, the refractive index and extinction coefficient are predicted across solar and mid-infrared (mid-IR) spectra, which are then used to calculate the optical properties of a single nanoparticle either by Mie Theory or computationally solving Maxwell’s Equations. Subsequently, the photon Monte Carlo simulation is used to predict the photon transport in nanoplatelet-matrix nanocomposites, by including the anisotropic optical properties of nanoplatelets for the first time. The predicted solar reflectance and sky window emissivity of the nanocomposites agree well with the experiments. By comparing with BaSO₄-based paint, we attribute the high solar reflectance of h-BN paint at a lower thickness to its higher refractive index and nanoplatelet morphology, and attribute the relatively lower sky window emissivity to its lower extinction coefficient in mid-IR. Surprisingly, aligning the nanoplatelets horizontally does not significantly improve the solar reflectance at <span><math><mrow><mn>150</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span> coating thickness due to diminishing returns. Finally, we compile many radiative cooling pigments and order the following few in decreasing refractive index: h-BN, BaSO₄, CaCO₃, SiO₂. Our work advances the understanding of atomic-scale features in designing radiative cooling materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101721"},"PeriodicalIF":10.0,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143853150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Large electrocaloric refrigeration performance in ferroelectric polymer nanocomposite with complementary nano-structural fillers","authors":"Min Zhao ,&nbsp;Junyu Huang ,&nbsp;Yu He ,&nbsp;Tingfeng Li ,&nbsp;Cuiping Xu ,&nbsp;Peiqi Ji ,&nbsp;Ziyi Xu ,&nbsp;Xiaolei Li ,&nbsp;Yiyu Tan ,&nbsp;Aimei Zhang ,&nbsp;Hong-Ling Cai ,&nbsp;X.S. Wu","doi":"10.1016/j.mtphys.2025.101720","DOIUrl":"10.1016/j.mtphys.2025.101720","url":null,"abstract":"<div><div>Electrocaloric (EC) refrigeration in nanocomposites provides sustainable heating and cooling through its excellent entropy change when applied or withdraw an electric field. Nonetheless, it's difficult to achieve a large EC performance under low electric fields since ferroelectrics have relatively low thermal conductivity and small diabatic temperature change. In this work, we design an EC nanocomposite by incorporating 12 %[0.68(BaZr_0.2Ti_0.8O₃)-0.32(Ba_0.7Ca_0.3TiO₃)] (BCZT) nanoparticles with significant ferroelectric properties and 7 %Boron Nitride nanosheets (BNNSs) with notable electrical insulation and ultra-high thermal conductivity into relaxor ferroelectric terpolymer P(VDF-TrFE-CFE), aiming to improve ECE performance and increase cooling power density of the nanocomposite. We attain an adiabatic temperature change (Δ<em>T</em>) of 8.85K, isothermal entropy change (Δ<em>S</em>) of 30.10J·kg⁻¹·K⁻¹ and isothermal cooling energy density (<em>Q</em>) of up to 5.10 × 10⁷ J·m⁻³ under a low electric field of 80 MV/m by direct method, which is an order of magnitude larger than those of other EC materials reported so far. The introduced interfacial coupling effect between ceramic and terpolymer plays a very important role to ECE, which modulates their polarization, microscale electric-dipoles changes, and energy conversion behavior, simultaneously improves the cooling power density of nanocomposite. Furthermore, the heat transfer performance of nanocomposite is simulated using Finite-element method (FEM) to investigate their heat transfer properties based on the solid-state heat transfer theory. The phase-field simulation has demonstrated the nanocomposite still possesses impressive ferroelectric properties under the influence of elastic compressive strain based on time-dependent Landau-Ginzburg-Devonshire (TLGD) theory. This research is of significant importance for achieving precise thermal management of the next-generation microelectronic devices.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101720"},"PeriodicalIF":10.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"D-band center modulation of atomic dispersed FeNx sites by incorporating Co9S8 nanoparticles towards augmented ORR/OER electrocatalysis in Zn-air batteries","authors":"Min Hong ,&nbsp;Yiyuan Yang ,&nbsp;Jianhang Nie ,&nbsp;Xiaohua Zhang ,&nbsp;Wenjing Zhang ,&nbsp;Cuicui Du ,&nbsp;Jinhua Chen","doi":"10.1016/j.mtphys.2025.101728","DOIUrl":"10.1016/j.mtphys.2025.101728","url":null,"abstract":"<div><div>Atomically dispersed Fe-N-C catalysts have currently received extremely widespread attention as one of encouraging candidates for Pt-based oxygen reduction reaction (ORR) catalysts owing to their high intrinsic activity and atomic utilization efficiency as well as the affluent reserve, but further optimizing the adsorption behaviors of the primitive FeN_x sites in Fe-N-C for oxygen-related intermediates is significant for bifunctional oxygen catalytic performances to propel their applications for reversible Zn-air battery. Herein, Co₉S₈ nanoparticles incorporated into atomic Fe dispersed N-enriched porous graphene carbon aerogels (Co₉S₈/Fe-N-C) were fabricated via two rounds of hydrothermal treatment followed by high-temperature pyrolysis. DFT calculations and experimental investigation revealed that, in virtue of the strong interactions effect between Co₉S₈ nanoparticles and Fe-N-C, the regulated electronic structure of Co₉S₈/Fe-N-C and the introduced abundant sulfur vacancies induced the d-band center modulation of FeN_x sites closer to the Fermi level, which can optimize the binding energy for oxygen-containing intermediates, thereby endowing the catalyst with enhanced bifunctional catalytic performance. Therefrom, the Co₉S₈/Fe-N-C catalyst presented efficient bifunctional ORR/OER activity with a narrower ΔE (0.68V), outstripping the Pt/C + RuO₂ catalysts. Additionally, the Zn-air battery assembled with Co₉S₈/Fe-N-C delivered a large specific capacity (798 mAh g_Zn⁻¹) with a power density of 103 mW cm⁻² and a long-term stability over 140 h. This research presents an innovative perspective on theoretical design of highly efficient atomically dispersed Fe based catalysts for reversible Zn-air battery.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101728"},"PeriodicalIF":10.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143841460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Circular photogalvanic effect in two-dimensional Weyl semimetals","authors":"Tae Jin Jeong ,&nbsp;Chan Wook Jang ,&nbsp;Won Uk Jeong ,&nbsp;Vu Thi Hoa ,&nbsp;Sunglae Cho ,&nbsp;Xiaolin Wang ,&nbsp;R.G. Elliman ,&nbsp;Sung Kim ,&nbsp;Suk-Ho Choi","doi":"10.1016/j.mtphys.2025.101730","DOIUrl":"10.1016/j.mtphys.2025.101730","url":null,"abstract":"<div><div>As a host of massless Weyl fermions, two-dimensional (2D) Weyl semimetals (WSMs) provide an ideal platform for studying exotic quantum phenomena in the emerging field of Dirac physics, including the circular photogalvanic effect (CPGE). Here, we report such behavior in a 2D WSM created in Bi_0.96Sb_0.04 thin films by a thickness-dependent topological phase transition caused by inversion symmetry breaking. Photocurrent maps and line profiles, and CPGE of lateral device structures are shown to depend on bias voltage and polarity, and to be well described by bias-dependent variations of the band profiles at the electrode/BiSb interfaces. Of particular note is the observation that the CPGE exhibits helicity-dependent behavior, indicating a counter-propagating distribution of opposite spins of the Weyl cones, which originates from reduced symmetry in the 2D film structure of WSMs despite normal incidence of the illumination. A strong thickness-dependent responsivity is also observed over a wide spectral range from ∼400 to ∼950 nm, and is attributed to the linear-dispersion of the Weyl cones. These results demonstrate manipulation of photocarrier generation, separation and transport processes in a simple 2D-WSM-based planar device using light polarization, bias voltage, and film thickness, and are promising for energy-harvesting devices.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101730"},"PeriodicalIF":10.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced performance UV photodetectors based on the β-Ga2o3/GaN photodiode of the reversed substitution growth with introduction nucleation layer of GaON by oxygen plasma treatment","authors":"Jiale Zhang ,&nbsp;Yurui Han ,&nbsp;Yuefei Wang ,&nbsp;Shihao Fu ,&nbsp;Yiping Miao ,&nbsp;Rongpeng Fu ,&nbsp;Weizhe Cui ,&nbsp;Zhe Wu ,&nbsp;Bingsheng Li ,&nbsp;Aidong Shen ,&nbsp;Yichun Liu","doi":"10.1016/j.mtphys.2025.101729","DOIUrl":"10.1016/j.mtphys.2025.101729","url":null,"abstract":"<div><div>A high-performance <em>β</em>-Ga₂O₃/GaN ultraviolet photodetector with bias-tunable spectral response (the UVC band to the UVA-UVC band) is demonstrated. The device is fabricated via a new route of reverse substitution growth, combined with oxygen plasma treatment (OPT) to introduce a GaON nucleation layer for the <em>β</em>-Ga₂O₃ synthesis on the GaN surface. The effects of the nucleation layer on the subsequent transformation from GaN to <em>β</em>-Ga₂O₃ at high temperature under oxygen ambience were analyzed in detail. X-ray diffraction (XRD) confirmed that (−201) preferred oriented monoclinic phase <em>β</em>-Ga₂O₃ with narrow linewidths has been formed. Both oxygen vacancies (<em>V</em>_O) on the surface and the root mean square (RMS) of the surface roughness of <em>β</em>-Ga₂O₃ treated with OPT are reduced, as confirmed by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM), resulting in better interfacial contact with the electrodes. Meanwhile, the increase in internal <em>V</em>_O enhanced the conductivity of the material, thereby improving the photoelectric response performance. The metal-semiconductor-metal (MSM) device achieved ultra-high detection capabilities (responsivity = 653 A/W, detectivity = 2.9 × 10¹⁵ Jones) and response spectrum switches between solar-blind narrow band and broad UVA-UVC band by varying the applied bias. The transient response time was on the millisecond scale. In the vertical-type <em>β</em>-Ga₂O₃/GaN photodiode, the responsivity and detectivity of the photodetector reached 2.1 A/W and 7.2 × 10¹³ Jones with a fast transient response time (rise time = 0.24 ms, decay time = 17.1 ms) under a bias voltage of −10 V.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101729"},"PeriodicalIF":10.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143831877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Creation and manipulation of magnetic skyrmions in 2D van der Waals magnets","authors":"Xueyan Li,&nbsp;Xiyuan Liu,&nbsp;Jiaqi Yang,&nbsp;Yinuo Zhang,&nbsp;Yi Pan","doi":"10.1016/j.mtphys.2025.101727","DOIUrl":"10.1016/j.mtphys.2025.101727","url":null,"abstract":"<div><div>Magnetic skyrmions are topologically stable swirling spin textures, usually with nanoscale diameters. It has attracted tremendous research interest due to the rich new physics of chiral interactions between the atomic spins, as well as the intriguing potential application in non-volatile data storage and spin-logic devices. In recent years, the skyrmion physics and materials have been enriched significantly due to the rise of two-dimensional (2D) van der Waals (vdW) magnets. In this paper, we review the recent research advances of magnetic skyrmions in the van der Waals magnetic material systems. Firstly, we classify the physical mechanisms that induce the magnetic skyrmions in 2D materials and their heterostructures. Then, we discuss the specific properties of three representative material systems, Fe₃GeTe₂, Fe₃GaTe₂, and CrTe_x. In the third section, we introduce the theoretical strategy and experimental method for skyrmion manipulation in 2D-magnet-based devices. Finally, we summarize the main progress, as well as the challenges and perspectives of future research, particularly the scanning-probe-assisted in situ device investigation method.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101727"},"PeriodicalIF":10.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143827316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dynamic thermoelectric generation enables 50% increase of efficiency at maximum power","authors":"Dario Narducci,&nbsp;Federico Giulio,&nbsp;Antonio Mazzacua","doi":"10.1016/j.mtphys.2025.101713","DOIUrl":"10.1016/j.mtphys.2025.101713","url":null,"abstract":"<div><div>Thermoelectric generators are devices capable to convert heat into electric power with no moving part. However, and despite a tremendous research effort on materials, their conversion efficiency is still limited, especially in the low temperature range where most of the discarded heat is available. We show that the exact solution of the time-dependent Domenicali’s equation predicts that, when the temperature difference across the thermoelectric legs is modulated in time, efficiency at maximum power (<span><math><msub><mrow><mi>η</mi></mrow><mrow><mtext>MP</mtext></mrow></msub></math></span>) improves by up to 50% compared to the stationary case — with a power output equivalent to that attainable by doubling the material figure of merit. Building on this evidence, we additionally show how, even for sources delivering heat at a constant rate, simple heat flux pre-processing leads to a comparable <span><math><msub><mrow><mi>η</mi></mrow><mrow><mtext>MP</mtext></mrow></msub></math></span> improvement. Since the operational mode we propose is material-agnostic and does not require changes of the device layout, it could find prompt application.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101713"},"PeriodicalIF":10.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced thermopower by double-site substitution of Ti in Fe2(VAl)1-xTi2x","authors":"M. Parzer ,&nbsp;A. Kositz ,&nbsp;J. Süß ,&nbsp;F. Garmroudi ,&nbsp;T. Mori ,&nbsp;E. Bauer","doi":"10.1016/j.mtphys.2025.101712","DOIUrl":"10.1016/j.mtphys.2025.101712","url":null,"abstract":"<div><div>Thermoelectric (TE) materials, which directly convert heat into electricity, hold promise for sustainable energy applications. For widespread adoption of this technology, the development of efficient, cost-effective, and non-toxic TE materials is crucial. Here, we attempt to improve the thermoelectric properties of Fe₂VAl-based full-Heusler compounds through the targeted substitution of (VAl) by Ti₂ in <figure><img></figure> . Our study reveals a miscibility gap between <span><math><mrow><mn>0</mn><mo>.</mo><mn>4</mn><mo>&lt;</mo><mi>x</mi><mo>&lt;</mo><mn>0</mn><mo>.</mo><mn>9</mn></mrow></math></span>, yet significant enhancement of the thermoelectric performance for both <span><math><mi>p</mi></math></span>- and <span><math><mi>n</mi></math></span>-type compounds was achieved for smaller substitutions. While Fe₂VAl and Fe₂Ti₂ are semimetals, a band gap opening occurs in the solid solution series, yielding a substantial enhancement of the Seebeck coefficient up to 130 μV/K in <span><math><mi>p</mi></math></span>-type materials. By additional optimization via isovalent V/Ta heavy-element substitution, we further optimize the TE performance, achieving one of the best <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> values in <span><math><mi>p</mi></math></span>- and <span><math><mi>n</mi></math></span>-type full-Heusler compounds and revealing the (VAl)/Ti<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> substitution as a promising pathway for improving the TE efficiency of full-Heusler compounds.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101712"},"PeriodicalIF":10.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143819976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel composite film with superhydrophobic graphene for anti-icing/deicing via chemical-assisted magnetically controllable picosecond laser writing","authors":"Haozhe Chang ,&nbsp;Zhen Zhang ,&nbsp;Peng Wang ,&nbsp;Guojun Zhang","doi":"10.1016/j.mtphys.2025.101726","DOIUrl":"10.1016/j.mtphys.2025.101726","url":null,"abstract":"<div><div>Icing affects the safe operation of the aircraft and can also damage other outdoor equipment, causing safety hazards. Passive anti-icing of superhydrophobic surface helps to reduce the energy consumption of active thermal deicing. The magnetically controllable direct laser writing (MDLW) was used to fabricate the micro-scale tapered structure and nano-scale layered structure. The superhydrophobic was enhanced by the chemical modification assisted magnetically controllable direct laser writing (C-MDLW), and the graphene capillaries were wrapped to form nanoscale particles. The different material removal mechanisms during the two laser scans, including photochemical mechanism, photothermal mechanism, and ionizing plasma, were described. The differences in surface morphology and chemical elements were analyzed to illustrate their effects on superhydrophobicity. The 'fog' shaped nano graphene capillary structure and high content of polar molecules result in strong hydrophilicity, while the nano particles and non-polar molecules formed after chemical modification are the key reasons for the transformation into superhydrophobicity. The contact angle of C-MDLW was as high as 163.0°, and the roll-off angle was 1.8°. Droplets at different heights can bounce on surfaces with different inclination angles. Compared with the raw surface, the icing time was delayed by about 29.5 times. Combined with the electric heating film with a good Joule heating effect, the surface temperature increased. Because of the long icing time, the electric energy was saved by about 86 % in the icing and deicing period.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101726"},"PeriodicalIF":10.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation on the mechanism of electronic structure and superconductivity of cubic X2BH6 at ambient pressure","authors":"Ya-Le Tao,&nbsp;Qi-Jun Liu","doi":"10.1016/j.mtphys.2025.101725","DOIUrl":"10.1016/j.mtphys.2025.101725","url":null,"abstract":"<div><div>The search for high <em>T</em>_<em>c</em> materials under ambient pressure remains a central objective in materials science. This study investigates doping the BH₆ units (B as the primary transition metal) using Group 2 and Group 3 elements (X) as dopants, focusing on charge transfer between dopants and the BH₆ units and its effects on bonding and superconductivity. Doping modulates the <em>E</em>_<em>F</em> position and influences electron pairing. Magnesium is unique due to its electride properties under ambient pressure, generating localized anionic electrons in interstitial sites. These electrons facilitate charge transfer between the dopant and BH₆ units, enhancing the DOS at the <em>E</em>_<em>F</em> from hydrogen, whereas other dopants with <em>d</em>-orbital electrons suppress the contribution of hydrogen. In contrast to high-pressure hydrides, where covalent bonding stabilizes structures and superconductivity, the appearance of positron cluster and ionic bonds within the BH₆ units in the X₂BH₆ system strongly supports the structure exhibiting significant ionic character and charge redistribution. This ionic nature increases the free electron count, enhancing Cooper pair formation and superconductivity. Particularly in Mg₂IrH₆, Mg's localized electrons are readily accepted by hydrogen, boosting the hydrogen-derived DOS at the <em>E</em>_<em>F</em>. This activates mid-to high-frequency phonon modes, driving large electron-phonon matrix elements and inducing strong electron-phonon coupling, resulting in a high <em>T</em>_<em>c</em> of 103.4 K under ambient pressure.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"54 ","pages":"Article 101725"},"PeriodicalIF":10.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143819966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}