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The observation of bulk superconductivity in rhombohedral ReO3 under pressure 压力作用下菱面体ReO3体超导性的观察
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-08-28 DOI: 10.1016/j.mtphys.2026.102206
S. Huyan, R.F.S. Penacchio, L.-L. Wang, J. Schmidt, D. Zhang, B. Lavina, Z. Li, R.A. Ribeiro, T.J. Slade, J. Zhao, S.L. Morelhão, P.C. Canfield, S.L. Bud'ko
{"title":"The observation of bulk superconductivity in rhombohedral ReO3 under pressure","authors":"S. Huyan,&nbsp;R.F.S. Penacchio,&nbsp;L.-L. Wang,&nbsp;J. Schmidt,&nbsp;D. Zhang,&nbsp;B. Lavina,&nbsp;Z. Li,&nbsp;R.A. Ribeiro,&nbsp;T.J. Slade,&nbsp;J. Zhao,&nbsp;S.L. Morelhão,&nbsp;P.C. Canfield,&nbsp;S.L. Bud'ko","doi":"10.1016/j.mtphys.2026.102206","DOIUrl":"10.1016/j.mtphys.2026.102206","url":null,"abstract":"<div><div>Understanding how lattice geometry enables superconductivity in oxides remains a central challenge. Here, we report a systematic study of ReO<sub>3</sub> up to 80 GPa. Synchrotron x-ray diffraction, Raman spectroscopy, electrical transport, dc magnetic susceptibility, and first-principles calculations establish a sequence of pressure-induced structural transitions, from cubic <span><math><mrow><mi>P</mi><mi>m</mi><mover><mn>3</mn><mi>ˉ</mi></mover><mi>m</mi></mrow></math></span> to <span><math><mrow><mi>I</mi><mi>m</mi><mover><mn>3</mn><mi>ˉ</mi></mover></mrow></math></span> followed by the emergence of a rhombohedral <span><math><mrow><mi>R</mi><mover><mn>3</mn><mi>ˉ</mi></mover><mi>c</mi></mrow></math></span> phase accompanied by bulk superconductivity with a maximum <em>T</em><sub><em>c, onset</em></sub> ∼17.5 K. DC magnetic susceptibility and trapped-flux magnetization measurements demonstrate that bulk superconductivity is confined to the pressure range where <span><math><mrow><mi>R</mi><mover><mn>3</mn><mi>ˉ</mi></mover><mi>c</mi></mrow></math></span> phase is dominant. Density functional theory calculations show strong electron-phonon coupling in the <em>hR</em>24-<span><math><mrow><mi>R</mi><mover><mn>3</mn><mi>ˉ</mi></mover><mi>c</mi></mrow></math></span> structure, with substantial contributions from both low-frequency Re vibrations and high-frequency oxygen-related phonon modes, yielding a calculated <em>T</em><sub><em>c</em></sub> comparable with the experiment. Upon further compression above ∼35-40 GPa, powder X-ray diffraction results indicate a symmetry-lowering structural transition. Whereas the experimental diffraction patterns can be best described by a rhombohedral-derived <span><math><mrow><mi>R</mi><mn>32</mn></mrow></math></span>-like average distortion with effective enlargement of the crystallographic unit cell, enthalpy calculations identify a lower-symmetry <em>mP</em>16-<span><math><mrow><mi>P</mi><mn>2</mn><mo>/</mo><mi>c</mi></mrow></math></span> structure driven by a phonon instability of the <span><math><mrow><mi>R</mi><mover><mn>3</mn><mi>ˉ</mi></mover><mi>c</mi></mrow></math></span> phase. This reconstructed higher-coordination phase has a reduced density of states at the Fermi level, weaker electron-phonon coupling, and a much lower calculated <em>T</em><sub><em>c</em></sub>, providing a microscopic explanation for the loss of bulk superconductivity in the higher-pressure phase. These results show that bulk superconductivity is stabilized within the rhombohedral structure, where pressure-induced lattice reconstruction supports enhanced electron-phonon coupling through cooperative Re-O lattice dynamics.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102206"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884321","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}
引用次数: 0
Boosting the thermoelectric performance of Ba/In double-filled skutterudites through the incorporation of Ba2In2O5 nanoprecipitates 通过掺入Ba2In2O5纳米沉淀物提高Ba/In双填充方突石的热电性能
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-09-04 DOI: 10.1016/j.mtphys.2026.102220
Xiyuan Sun, Dandan Qin, Zhengbo Zhan, Haoxuan Sun, Chun Shang, Zihe Li, Rui Huang, Cunlei Zou, Huijun Kang, Hongliang Wang, Lijie Hao, Xian Tang, Yunzhuo Lu, Jiehe Sui
{"title":"Boosting the thermoelectric performance of Ba/In double-filled skutterudites through the incorporation of Ba2In2O5 nanoprecipitates","authors":"Xiyuan Sun,&nbsp;Dandan Qin,&nbsp;Zhengbo Zhan,&nbsp;Haoxuan Sun,&nbsp;Chun Shang,&nbsp;Zihe Li,&nbsp;Rui Huang,&nbsp;Cunlei Zou,&nbsp;Huijun Kang,&nbsp;Hongliang Wang,&nbsp;Lijie Hao,&nbsp;Xian Tang,&nbsp;Yunzhuo Lu,&nbsp;Jiehe Sui","doi":"10.1016/j.mtphys.2026.102220","DOIUrl":"10.1016/j.mtphys.2026.102220","url":null,"abstract":"<div><div>The growing demand for efficient mid-temperature thermoelectric conversion, driven by energy shortages, has intensified interest in CoSb<sub>3</sub>-based skutterudites due to their favorable processability and thermal stability. Among these, Ba/In double-filled skutterudites show great potential, yet the optimal atomic ratio of the two fillers remains unexplored systematically. Here, using a combined melting-annealing and hot-press sintering approach, we independently regulate the filling levels of Ba/In, revealing an optimal composition, Ba<sub>0.15</sub>In<sub>0.2</sub>Co<sub>4</sub>Sb<sub>12</sub>, in which a large number of Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub> nanoparticles form spontaneously. This nanostructure introduces additional phonon scattering through abundant phase interfaces, which synergistically couples with the phonon scattering arising from the rattling effect of Ba/In double-filled, leading to further suppression of phonon transport. Consequently, the Ba<sub>0.3</sub>In<sub>0.2</sub>Co<sub>4</sub>Sb<sub>12</sub> sample exhibits the lowest lattice thermal conductivity of 0.83 W m<sup>−1</sup> K<sup>−1</sup> at 773 K. In comparison, the Ba<sub>0.15</sub>In<sub>0.2</sub>Co<sub>4</sub>Sb<sub>12</sub> composition achieves the highest power factor of 50.21 μW cm<sup>−1</sup> K<sup>−2</sup> at 823 K, while still maintaining a relatively low lattice thermal conductivity of 1.27 W m<sup>−1</sup> K<sup>−1</sup> at 723 K. Through the synergistic optimization of charge-carrier transport and phonon scattering, the Ba<sub>0.15</sub>In<sub>0.2</sub>Co<sub>4</sub>Sb<sub>12</sub> sample attains a peak <em>ZT</em> value of 1.3 at 823 K and an average <em>ZT</em> value of 0.84 across 300-873 K, marking it as a highly promising candidate for mid-temperature thermoelectric applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102220"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148893998","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}
引用次数: 0
Dynamic signatures of diffusive non-Hermitian skin effect in thermal lattices 热晶格中扩散非厄米集肤效应的动态特征
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-09-03 DOI: 10.1016/j.mtphys.2026.102215
Run Hu, Zhaochen Wang, Xufan Li, Quan Liu, Xiaobing Luo, Ying Li, Hyejeong Kim
{"title":"Dynamic signatures of diffusive non-Hermitian skin effect in thermal lattices","authors":"Run Hu,&nbsp;Zhaochen Wang,&nbsp;Xufan Li,&nbsp;Quan Liu,&nbsp;Xiaobing Luo,&nbsp;Ying Li,&nbsp;Hyejeong Kim","doi":"10.1016/j.mtphys.2026.102215","DOIUrl":"10.1016/j.mtphys.2026.102215","url":null,"abstract":"<div><div>Non-Hermitian skin effect (NHSE) has been identified as the unique properties of non-Hermitian thermal systems under open boundary condition (OBC) and has been extended from wave system to thermal diffusion system. Here, we explore the dynamic properties of diffusive NHSE based on a nonreciprocal thermal lattice. The corresponding Hamiltonian of the thermal lattice is established, and the corresponding spectra are analyzed. Temperature evolutions of the thermal lattice are characterized, and dynamic NHSE and topological winding number can be clearly observed, which are further analyzed in the generalized Brillouin zone with Z transformation and OBC eigenmode decomposition. Capacity-induced NHSE is realized with passive thermal system in simulations and experiments for verification. Our work enriches the understanding of diffusive NHSE from the dynamic perspective and triggers the further studies of non-Hermitian thermal diffusion processes for dynamic thermal management.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102215"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148894002","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}
引用次数: 0
Full-temperature-range thermoelectric materials for sustainable waste-heat recovery: Temperature matching, transport engineering and device integration 可持续废热回收的全温度范围热电材料:温度匹配、运输工程和设备集成
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-09-06 DOI: 10.1016/j.mtphys.2026.102221
Meimei Xu, Yameng Jiao, Yuzhen Zhao, Yuanxiao Zhao, Jindou Shi
{"title":"Full-temperature-range thermoelectric materials for sustainable waste-heat recovery: Temperature matching, transport engineering and device integration","authors":"Meimei Xu,&nbsp;Yameng Jiao,&nbsp;Yuzhen Zhao,&nbsp;Yuanxiao Zhao,&nbsp;Jindou Shi","doi":"10.1016/j.mtphys.2026.102221","DOIUrl":"10.1016/j.mtphys.2026.102221","url":null,"abstract":"<div><div>Waste heat is available across a broad temperature range, from the human body and microelectronics to automotive exhaust, industrial furnaces, and radioisotope heat sources. Thermoelectric (TE) materials offer a direct route for heat-to-electricity conversion and solid-state cooling, yet their practical deployment is limited by strongly coupled charge and heat transport, material-specific operating windows, and the persistent gap between peak material zT and device-level efficiency. This review establishes an application-oriented full-temperature framework based on pragmatic low- (room temperature-473 K), medium- (473-873 K), and high-temperature (&gt;873 K) regimes, while recognizing substantial overlap between these ranges. Within this framework, band, phonon, and microstructure engineering are examined as integrated strategies for extending effective operating windows and sustaining thermoelectric performance over broad temperature ranges. Segmented and cascaded architectures are further assessed in terms of contact resistance, thermal-expansion mismatch, interdiffusion, and thermal-cycling stability to clarify the critical factors governing material-to-device translation. Sustainability is also evaluated from a material–device life-cycle perspective, with emphasis on processing energy, service lifetime, and recyclability. By integrating temperature matching, transport engineering, evidence-aware comparison, and device integration, this review provides practical principles for thermoelectric material selection and deployment in waste-heat recovery, solid-state cooling, wearable energy harvesting, and extreme-environment power generation.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102221"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923004","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}
引用次数: 0
Deep-level transient spectroscopy in wide-bandgap semiconductors (GaN, 4H-SiC, and β-Ga2O3): Methods, defect fingerprints, and device-relevant insights 宽禁带半导体(GaN, 4H-SiC和β-Ga2O3)中的深能级瞬态光谱:方法,缺陷指纹和器件相关见解
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-08-27 DOI: 10.1016/j.mtphys.2026.102204
Muskan Verma, Ashish Kumar
{"title":"Deep-level transient spectroscopy in wide-bandgap semiconductors (GaN, 4H-SiC, and β-Ga2O3): Methods, defect fingerprints, and device-relevant insights","authors":"Muskan Verma,&nbsp;Ashish Kumar","doi":"10.1016/j.mtphys.2026.102204","DOIUrl":"10.1016/j.mtphys.2026.102204","url":null,"abstract":"<div><div>Deep-level defects govern the efficiency, stability, and reliability of power and radio-frequency devices built on wide- and ultrawide-bandgap semiconductors. Deep-level transient spectroscopy (DLTS) and its variants remain the most sensitive electrical probes of these states, resolving trap activation energy, capture cross-section, and concentration with a sensitivity reaching parts in 10<sup>5</sup> of the doping density. This review consolidates the DLTS-derived defect landscape of the three leading wide-bandgap systems: gallium nitride (GaN), 4H silicon carbide (4H-SiC), and β-phase gallium oxide (β-Ga<sub>2</sub>O<sub>3</sub>) within a single comparative framework. We first set out the measurement physics and the method family that has grown around conventional capacitance DLTS: high-resolution Laplace DLTS, current and drain-current DLTS, minority-carrier and optical transient spectroscopy, deep-level optical spectroscopy, admittance spectroscopy, and high-temperature DLTS suited to ultrawide gaps. We then catalog the established defect fingerprints of each material: the carbon-vacancy Z<sub>1/2</sub> and EH<sub>6/7</sub> lifetime killers and the HK/UK hole-trap series in 4H-SiC; the E1/E2/E3 electron traps, Fe and C-related centers, and yellow-luminescence-linked states in GaN; and the E1/E2/E2*/E3 majority traps, the dominant E<sub>C</sub>−2.0 eV compensating center, and the gallium-vacancy hole traps in β-Ga<sub>2</sub>O<sub>3</sub>. A material-spanning synthesis identifies which assignments are secure, which rest on combined experiment-theory agreement, and which remain contested. We connect specific traps to device pathologies: current collapse and dynamic on-resistance in GaN transistors; lifetime limitation and threshold instability in SiC; carrier removal and radiation response in Ga<sub>2</sub>O<sub>3</sub>; and close with the methodological and materials challenges that limit chemical identification of deep levels. An exhaustive, individually referenced table of DLTS-detected defects across the three materials is provided as a reference resource.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102204"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884318","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}
引用次数: 0
Tuning photo-induced hole transport dynamics in Ga2O3 photoelectrodes for ultra-stable underwater solar-blind UV detection and communication 调谐Ga2O3光电极的光致空穴传输动力学,用于超稳定的水下太阳盲紫外探测和通信
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-09-01 Epub Date: 2026-08-28 DOI: 10.1016/j.mtphys.2026.102207
Huiyuan Chen, Kai Chen, Kai Xu, Daoyou Guo
{"title":"Tuning photo-induced hole transport dynamics in Ga2O3 photoelectrodes for ultra-stable underwater solar-blind UV detection and communication","authors":"Huiyuan Chen,&nbsp;Kai Chen,&nbsp;Kai Xu,&nbsp;Daoyou Guo","doi":"10.1016/j.mtphys.2026.102207","DOIUrl":"10.1016/j.mtphys.2026.102207","url":null,"abstract":"<div><div>Self-powered solar-blind ultraviolet (UV) photoelectrochemical (PEC) devices have great potential in underwater optical communication (UOC) due to their resistance to visible light interference. Gallium oxide (Ga<sub>2</sub>O<sub>3</sub>) with extremely wide band gap is a natural solar-blind photosensitive material and has been widely used in PEC devices. However, Ga<sub>2</sub>O<sub>3</sub>-based PEC devices suffer from low responsivity and poor stability due to photocorrosion at the solid-liquid interface. Particle modification techniques are considered an effective measure to improve the transport path of photogenerated charge carriers and mitigate negative reactions. Here, we constructed a uniformly distributed cobalt tetroxide (Co<sub>3</sub>O<sub>4</sub>) nanoparticle modification layer on a Ga<sub>2</sub>O<sub>3</sub> nanopillar arrays via in-situ photodeposition. Beyond serving as a protective layer that shields Ga<sub>2</sub>O<sub>3</sub> from liquid contact and suppresses lattice degradation, Co<sub>3</sub>O<sub>4</sub> nanoparticles also form a staggered type-Ⅱ heterojunction with Ga<sub>2</sub>O<sub>3</sub>, which promotes the extraction of photogenerated holes for redox reactions and thus enhances carrier separation kinetics. The response rise time and responsivity of the optimized PEC device are 34.6 ms and 17.27 mA W<sup>−1</sup> which are 4.3 and 1.6 times higher than the original ones. Notably, in a continuous 7200s optical switching test, the photocurrent attenuation degree improved from 67% to 0.3%, exhibits significantly enhanced long-term stability. This significantly outperforms existing reports on Ga-based solar-blind UOC devices. Stimulatingly, a UOC system based on Co<sub>3</sub>O<sub>4</sub>@Ga<sub>2</sub>O<sub>3</sub> photoanode achieves high-fidelity, self-powered signal transmission and real-time decoding even in long-term liquid operating environments, providing a foundation for achieving high-performance solar-blind systems.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"67 ","pages":"Article 102207"},"PeriodicalIF":9.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884322","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}
引用次数: 0
Synergistic experimental and DFT investigation of photoreduction of CO2 via gas-phase adsorption over Mn- and Cr-doped NiAl2O4@Ti3C2Tx heterojunction Mn-和cr掺杂NiAl2O4@Ti3C2Tx异质结气相吸附光还原CO2的协同实验和DFT研究
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-08-01 Epub Date: 2026-07-22 DOI: 10.1016/j.mtphys.2026.102172
Naveed Ahmad, Sharmila Sainath Singh, Mujahid Mustaqeem, Md Sakib Hasan Khan, Chung-Feng Jeffrey Kuo, Li-Chyong Chen, Mohammed Ashraf Gondal, Chih-Wei Chiu
{"title":"Synergistic experimental and DFT investigation of photoreduction of CO2 via gas-phase adsorption over Mn- and Cr-doped NiAl2O4@Ti3C2Tx heterojunction","authors":"Naveed Ahmad,&nbsp;Sharmila Sainath Singh,&nbsp;Mujahid Mustaqeem,&nbsp;Md Sakib Hasan Khan,&nbsp;Chung-Feng Jeffrey Kuo,&nbsp;Li-Chyong Chen,&nbsp;Mohammed Ashraf Gondal,&nbsp;Chih-Wei Chiu","doi":"10.1016/j.mtphys.2026.102172","DOIUrl":"10.1016/j.mtphys.2026.102172","url":null,"abstract":"<div><div>The growing demand for carbon-neutral energy has accelerated interest in converting CO<sub>2</sub> into carbon-based fuels using solar energy. Energy consumption, fossil fuel depletion, and climate change highlight the urgent need for renewable energy. Designing efficient heterostructured photocatalysts with enhanced charge separation and controlled reaction pathways is key to enhancing CO<sub>2</sub> photoreduction. Here, a well-defined Mn- and Cr-bimetallic-doped NiAl<sub>2</sub>O<sub>4</sub>@Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> nanosheet (NMCAO@TCTS) hybrid photocatalyst was synthesized via etching followed by hydrothermal methods, thereby enhancing the transfer of photogenerated electrons from NMCAO to TCTS and creating a much greater excited reductive electron charge on the surface of TCTS. The comprehensive crystallographic, electron-microscopic, photoemission spectroscopic, electrochemical, and optical spectroscopic analyses of as-synthesized composites provided profound insights into the underlying mechanisms governing their photocatalytic performance towards CO<sub>2</sub> photoreduction to CO and CH<sub>4</sub>. The optimized 15% NMCAO@TCTS photocatalyst exhibited excellent performance, delivering a CO and CH<sub>4</sub> production rate of 12.25 and 1.76 <span><math><mrow><msup><mrow><mspace></mspace><mi>μ</mi><mtext>molg</mtext></mrow><mrow><mo>‒</mo><mn>1</mn></mrow></msup><msup><mi>h</mi><mrow><mo>‒</mo><mn>1</mn></mrow></msup></mrow></math></span>, respectively, thereby demonstrating its high efficiency using solar irradiation. Furthermore, DFT analysis demonstrated that the Mn site in the 15% NMCAO@TCTS heterojunction is the most active center for enhanced catalytic performance, exhibiting the lowest energy barrier and the least negative limiting potential in CO<sub>2</sub> reduction pathways. Furthermore, DOS/PDOS, d-band center, ICOHP, Bader charge, and CDD analyses demonstrate significant charge redistribution at the 15% NMCAO@TCTS interface, enhancing efficient electron transfer and CO<sub>2</sub> polarization. The synergistic interaction between the Mn active sites of NMCAO and conductive TCTS assists in facilitating interfacial charge transport, intermediate stabilization, and accelerating proton-coupled electron-transfer steps for high-performance photocatalytic CO<sub>2</sub> reduction. Overall, this work demonstrates a robust strategy for designing bimetallic-doped metal oxide/MXene heterostructures for efficient solar-driven CO<sub>2</sub> photoreduction into fuel products.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102172"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148625128","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}
引用次数: 0
Potential-induced dynamic coordination of nonmetal atoms directly bound to metal centers in graphene-embedded single-atom catalysts and its implications 石墨烯单原子催化剂中直接与金属中心结合的非金属原子的电位诱导动态配位及其意义
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-08-01 Epub Date: 2026-07-28 DOI: 10.1016/j.mtphys.2026.102178
Jiahang Li, Suhang Li, Chong Yan, Qinzhuang Liu, Jiajun Yu, Dongwei Ma
{"title":"Potential-induced dynamic coordination of nonmetal atoms directly bound to metal centers in graphene-embedded single-atom catalysts and its implications","authors":"Jiahang Li,&nbsp;Suhang Li,&nbsp;Chong Yan,&nbsp;Qinzhuang Liu,&nbsp;Jiajun Yu,&nbsp;Dongwei Ma","doi":"10.1016/j.mtphys.2026.102178","DOIUrl":"10.1016/j.mtphys.2026.102178","url":null,"abstract":"<div><div>Electrode-potential-induced dynamic coordination is an essential factor governing the performance of graphene-embedded single-atom catalysts (SACs). While previous studies have primarily centered on structural dynamics at the metal site, the response of its coordinated nonmetal atoms remains largely unexplored. Here, using Ni SACs with mixed nitrogen/carbon coordination (NiN<sub>4-x</sub>C<sub>x</sub>) as representatives, we investigate potential-driven hydrogenation of metal-center-coordinated nonmetallic atoms through constant-potential density functional theory and <em>ab initio</em> molecular dynamics. We find that the C sites directly bound to Ni undergo potential-driven hydrogenation, whereas hydrogenation at N sites is thermodynamically unfavorable. Taking NiNC<sub>3</sub> as a representative system, we demonstrate that these hydrogenation processes proceed with accessible kinetic barriers and obey the Brønsted-Evans-Polanyi relation. The resulting dynamic coordination reshapes the Ni 3d and d<sub>z</sub><sup>2</sup> orbitals, modulates the stability of the active center, and weakens molecular adsorption through combined electronic and steric effects. These findings reveal that electrode potential and solvent not only regulate the metal center but also dynamically reconfigure its coordination environment, offering novel mechanistic insights into potential-induced coordination dynamics and guiding the rational design of coordination-engineered SACs.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102178"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148625182","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}
引用次数: 0
Fully 2D Dion-Jacobson perovskite photovoltaics for low Earth orbit space missions 用于低地球轨道空间任务的全2D Dion-Jacobson钙钛矿光伏电池
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-08-01 Epub Date: 2026-07-28 DOI: 10.1016/j.mtphys.2026.102179
Mustafa Kareem, Bassam Thaban
{"title":"Fully 2D Dion-Jacobson perovskite photovoltaics for low Earth orbit space missions","authors":"Mustafa Kareem,&nbsp;Bassam Thaban","doi":"10.1016/j.mtphys.2026.102179","DOIUrl":"10.1016/j.mtphys.2026.102179","url":null,"abstract":"<div><div>Perovskite solar cells offer remarkable benefits for space-based energy harvesting due to low fabrication cost, mechanical flexibility, and high specific power that can minimize payload weight in deployable structures. In this work, for the first time, we investigated the unexplored two-dimensional Dion-Jacobson perovskite-based solar cells for low Earth orbit space applications. Using a solar cell capacitance simulator in one dimension, the optimized devices attained the champion efficiency of 18.48% at −100 °C, boosted from an efficiency of 16.23% at room temperature, which is comparable with the recently reported Dion-Jacobson perovskite solar cells. Then, we utilized SPENVIS calculations to mimic the orbital radiation spectra for the International Space Station, OneWeb, and Iridium NEXT missions. Moreover, we simulated particle-matter interactions by Monte Carlo-based binary-collision approximation to analyze the radiation-induced atomic displacement and phonon generation. Although alpha particles generate more vacancies per incident particle, protons dominate the cumulative radiation-induced defect density because of their substantially higher fluence in low Earth orbits. Among the investigated proton energies, 0.1 MeV produces the highest vacancy yield per incident proton. The findings demonstrate that protons dominate vacancy generation due to their high fluence in low Earth orbits, in particular with a 0.1 MeV energy beam inducing the highest vacancy generation. The non-protected perovskite solar cells showed relatively stable in-orbit performance, maintaining 87% of initial efficiency in International Space Station orbit, while degrading to 21% and 50% in OneWeb orbit and Iridium NEXT orbit, respectively. Introducing a glass protection layer could reinforce perovskite solar cells to withstand space stressors. A 20-μm glass cover provides effective shielding against 1.0 MeV protons, significantly mitigating radiation-induced degradation and boosting solar cell lifetime in low Earth orbits.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102179"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641684","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}
引用次数: 0
Orientation-engineered β-Ga2O3 optoelectronic synapses for polarization-sensitive neuromorphic vision 定向工程β-Ga2O3光电突触用于极化敏感神经形态视觉
IF 9.3 2区 材料科学
Materials Today Physics Pub Date : 2026-08-01 Epub Date: 2026-07-30 DOI: 10.1016/j.mtphys.2026.102176
Yiwen Zhang, Zhihao Yu, Yiding Jian, Fengmin Wu, Chao Wu, Daoyou Guo
{"title":"Orientation-engineered β-Ga2O3 optoelectronic synapses for polarization-sensitive neuromorphic vision","authors":"Yiwen Zhang,&nbsp;Zhihao Yu,&nbsp;Yiding Jian,&nbsp;Fengmin Wu,&nbsp;Chao Wu,&nbsp;Daoyou Guo","doi":"10.1016/j.mtphys.2026.102176","DOIUrl":"10.1016/j.mtphys.2026.102176","url":null,"abstract":"<div><div>Polarization-sensitive neuromorphic visual systems offer a promising route for extracting optical information, yet their practical miniaturization and integration remain limited by the reliance on bulky optical components and separated processing units. Here, we demonstrate an orientation-engineered <em>β-</em>Ga<sub>2</sub>O<sub>3</sub> ultraviolet optoelectronic synapse for polarization-sensitive neuromorphic vision. Based on Fermi's golden rule and optical transition selection rules, the (201) plane of <em>β-</em>Ga<sub>2</sub>O<sub>3</sub> is theoretically revealed to exhibit stronger polarization-selective absorption, with a dichroic ratio of 3.2 at 258 nm. (201)-oriented <em>β-</em>Ga<sub>2</sub>O<sub>3</sub> epitaxial films are controllably grown on r-plane sapphire substrates through substrate engineering. The device successfully emulates essential polarization sensitivity synaptic functions, including short-term to long-term memory transition, with stronger learning and memory capability. Furthermore, the polarization-modulated synaptic response is exploited for reservoir-computing-based face recognition, achieving 92% accuracy after 200 training iterations under 0<sup>°</sup> polarization. Device-derived polarization-modulated convolution kernels are also constructed for image edge enhancement and handwritten digit recognition, maintaining high accuracies of 99%, 99%, and 97% under 10%, 20%, and 50% noise, respectively. This work provides a strategy for <em>β-</em>Ga<sub>2</sub>O<sub>3</sub>-based polarization-sensitive optoelectronic synapses and offers a promising way for compact ultraviolet neuromorphic visual systems with integrated sensing, memory, and computing functionalities.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102176"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148651383","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}
引用次数: 0
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