Pub Date : 2026-01-14DOI: 10.1016/j.jmat.2026.101172
Shuting Pang, Xuhui Fan, Weiye Nie, Jian Guo, Wenwu Cao
{"title":"NaNbO3-based ultra-high energy storage ceramics with linear polarization","authors":"Shuting Pang, Xuhui Fan, Weiye Nie, Jian Guo, Wenwu Cao","doi":"10.1016/j.jmat.2026.101172","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101172","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"4 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.jmat.2026.101173
Jian Luo
{"title":"From high-entropy ceramics to compositionally complex ceramics and beyond","authors":"Jian Luo","doi":"10.1016/j.jmat.2026.101173","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101173","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"22 2 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145962496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101105
Cancan Shao , Xiaoming Shi , Ke Xu , Rongzhen Gao , Shiyu Tang , Zhaobo Liu , Houbing Huang
The exceptional breakdown field strength of polymers, combined with the large spontaneous polarization exhibited by inorganic ferroelectric materials, has led to continuous advancements in the records for the giant electrocaloric effect (ECE) in polymer composites enhanced by ferroelectric inorganic components. This study aims to investigate the ECE properties of P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3 (BST67) composites by analyzing the aspect ratio, composition ratio, and orientation of BST67 nanoparticles in conjunction with the P(VDF-TrFE-CFE) matrix. The results of the P–E loop calculations indicate that all three factors related to the BST67 nanoparticles enhance the ferroelectric polarization value of the composite material. This enhancement is attributed to the longer aspect ratio, higher composition ratio, and improved orientation, which enable the BST67 nanoparticles to achieve a greater electric field strength. The calculation of ΔT using the LGD method reveals that these three factors of BST67 can independently increase ΔT, and they exhibit a synergistic effect on the ECE performance of the ferroelectric polymer. Our conclusions provide valuable insights for future research on ECE in polymer/inorganic ferroelectric composites.
{"title":"Nanofiller orientation-enhanced electrocaloric effect: A case study of P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3 composites","authors":"Cancan Shao , Xiaoming Shi , Ke Xu , Rongzhen Gao , Shiyu Tang , Zhaobo Liu , Houbing Huang","doi":"10.1016/j.jmat.2025.101105","DOIUrl":"10.1016/j.jmat.2025.101105","url":null,"abstract":"<div><div>The exceptional breakdown field strength of polymers, combined with the large spontaneous polarization exhibited by inorganic ferroelectric materials, has led to continuous advancements in the records for the giant electrocaloric effect (ECE) in polymer composites enhanced by ferroelectric inorganic components. This study aims to investigate the ECE properties of P(VDF-TrFE-CFE)/Ba<sub>0.67</sub>Sr<sub>0.33</sub>TiO<sub>3</sub> (BST67) composites by analyzing the aspect ratio, composition ratio, and orientation of BST67 nanoparticles in conjunction with the P(VDF-TrFE-CFE) matrix. The results of the <em>P</em>–<em>E</em> loop calculations indicate that all three factors related to the BST67 nanoparticles enhance the ferroelectric polarization value of the composite material. This enhancement is attributed to the longer aspect ratio, higher composition ratio, and improved orientation, which enable the BST67 nanoparticles to achieve a greater electric field strength. The calculation of Δ<em>T</em> using the LGD method reveals that these three factors of BST67 can independently increase Δ<em>T</em>, and they exhibit a synergistic effect on the ECE performance of the ferroelectric polymer. Our conclusions provide valuable insights for future research on ECE in polymer/inorganic ferroelectric composites.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101105"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101102
Marija Dunce , Vladimir V. Shvartsman , Mahmoud Hotari , Doru C. Lupascu , Eriks Birks , Andrei Kholkin
The stability of the polarization state in Na0.5Bi0.5TiO3 (NBT) ceramics has been a long-standing problem for its use in piezoelectric applications at elevated temperatures. It has been generally believed that the polarization state, depolarization temperature, and depolarization process are all linked to the grain size in these materials. In this work, we perform a thorough Piezoresponse Force Microscopy (PFM) study of the NBT ceramic samples with substantially different grain sizes sintered as a function of temperature. As-grown, macroscopically poled, and locally poled samples were investigated focusing on the polarization behavior at depolarization temperature. Switching Spectroscopy PFM (SS-PFM) measurements were conducted as a function of grain size and temperature. No direct correlation is observed between the grain size and the switching parameters in any sample. However, temperature-dependent measurements reveal significant differences that are explained by different concentrations of oxygen vacancies. We rationalized the observed behavior, e.g. apparent stabilization of the locally probed polarization above the depolarization temperature, by accumulation and depletion of oxygen vacancies in the vicinity of the internal boundary of the poled region. Significant asymmetry of the PFM hysteresis loops at elevated temperatures confirms this assumption.
{"title":"Polarization stability in lead-free Na0.5Bi0.5TiO3 ceramics: Grain size and temperature effects","authors":"Marija Dunce , Vladimir V. Shvartsman , Mahmoud Hotari , Doru C. Lupascu , Eriks Birks , Andrei Kholkin","doi":"10.1016/j.jmat.2025.101102","DOIUrl":"10.1016/j.jmat.2025.101102","url":null,"abstract":"<div><div>The stability of the polarization state in Na<sub>0.5</sub>Bi<sub>0.5</sub>TiO<sub>3</sub> (NBT) ceramics has been a long-standing problem for its use in piezoelectric applications at elevated temperatures. It has been generally believed that the polarization state, depolarization temperature, and depolarization process are all linked to the grain size in these materials. In this work, we perform a thorough Piezoresponse Force Microscopy (PFM) study of the NBT ceramic samples with substantially different grain sizes sintered as a function of temperature. As-grown, macroscopically poled, and locally poled samples were investigated focusing on the polarization behavior at depolarization temperature. Switching Spectroscopy PFM (SS-PFM) measurements were conducted as a function of grain size and temperature. No direct correlation is observed between the grain size and the switching parameters in any sample. However, temperature-dependent measurements reveal significant differences that are explained by different concentrations of oxygen vacancies. We rationalized the observed behavior, <em>e.g.</em> apparent stabilization of the locally probed polarization above the depolarization temperature, by accumulation and depletion of oxygen vacancies in the vicinity of the internal boundary of the poled region. Significant asymmetry of the PFM hysteresis loops at elevated temperatures confirms this assumption.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101102"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144341088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101094
Qingfeng Li , Jie Li , Ying Tang , Huaicheng Xiang , Di Zhou , Kaixin Song , Liang Fang
The low dielectric constant (εr < 15) is the key to improving the signal transmission speed of microwave communication devices. However, the resonant frequency temperature coefficient (τf) of most low-εr microwave dielectric ceramics is usually negative. Aiming to modify the large negative τf of scheelite CaWO4 and explore the underlying mechanism between the structure and microwave dielectric properties, a series of Ca1–x(Li1/2Eu1/2)xWO4 (x = 0.1−1.0) (CLEWOx) ceramics were prepared at low sintering temperatures (750−875 °C). The εr increased from 10.46 to 18.55, and the Q× f decreased from 39,032 GHz–7425 GHz, mainly due to the enhanced rattling effect of Li+. The τf rapidly increased from negative (−19.91 × 10−6 °C−1) to abnormally positive (+162.15 × 10−6 °C−1), influenced by the reduced temperature coefficient of ion polarizability (ταm) caused by the rattling Li + cation. The CLEWO0.15 sample has good comprehensive performance (εr = 12.28, Q×f = 28,027 GHz, and τf = −0.5 × 10−6 °C−1) and compatibility with the Ag electrode, showing the potential of LTCC applications. Additionally, a dielectric resonator antenna based on CLEWO0.15 ceramic was designed with a bandwidth of 254 MHz at 4.504−4.758 GHz and a gain of 4.87 dBi at 4.62 GHz, indicating that CLEWO0.15 may be a potential candidate for dielectric resonator antennas.
{"title":"Rattling effect mechanism on the temperature stability of low-sintered Ca1–x(Li1/2Eu1/2)xWO4 microwave dielectric ceramics for dielectric resonant antenna applications","authors":"Qingfeng Li , Jie Li , Ying Tang , Huaicheng Xiang , Di Zhou , Kaixin Song , Liang Fang","doi":"10.1016/j.jmat.2025.101094","DOIUrl":"10.1016/j.jmat.2025.101094","url":null,"abstract":"<div><div>The low dielectric constant (<em>ε</em><sub>r</sub> < 15) is the key to improving the signal transmission speed of microwave communication devices. However, the resonant frequency temperature coefficient (<em>τ</em><sub>f</sub>) of most low-<em>ε</em><sub>r</sub> microwave dielectric ceramics is usually negative. Aiming to modify the large negative <em>τ</em><sub>f</sub> of scheelite CaWO<sub>4</sub> and explore the underlying mechanism between the structure and microwave dielectric properties, a series of Ca<sub>1–<em>x</em></sub>(Li<sub>1/2</sub>Eu<sub>1/2</sub>)<sub><em>x</em></sub>WO<sub>4</sub> (<em>x</em> = 0.1−1.0) (CLEWO<sub><em>x</em></sub>) ceramics were prepared at low sintering temperatures (750−875 °C). The <em>ε</em><sub>r</sub> increased from 10.46 to 18.55, and the <em>Q</em>× <em>f</em> decreased from 39,032 GHz–7425 GHz, mainly due to the enhanced rattling effect of Li<sup>+</sup>. The <em>τ</em><sub>f</sub> rapidly increased from negative (−19.91 × 10<sup>−6</sup> °C<sup>−1</sup>) to abnormally positive (+162.15 × 10<sup>−6</sup> °C<sup>−1</sup>), influenced by the reduced temperature coefficient of ion polarizability (<em>τ</em><sub>αm</sub>) caused by the rattling Li <sup>+</sup> cation. The CLEWO<sub>0.15</sub> sample has good comprehensive performance (<em>ε</em><sub>r</sub> = 12.28, <em>Q×f</em> = 28,027 GHz, and <em>τ</em><sub>f</sub> = −0.5 × 10<sup>−6</sup> °C<sup>−1</sup>) and compatibility with the Ag electrode, showing the potential of LTCC applications. Additionally, a dielectric resonator antenna based on CLEWO<sub>0.15</sub> ceramic was designed with a bandwidth of 254 MHz at 4.504−4.758 GHz and a gain of 4.87 dBi at 4.62 GHz, indicating that CLEWO<sub>0.15</sub> may be a potential candidate for dielectric resonator antennas.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101094"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144218690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101095
Xin Liu , Fan Zhang , Ji Zou , Weimin Wang , Wei Ji , Zhengyi Fu
The nacreous layer of shells has become an excellent biomimetic template of materials due to its unique structure. Inspired by the highly complex multilayered structure of shells, biomimetic layered composite protective materials with outstanding strength, toughness, and impact resistance have been developed. As the hard phase in biomimetic pearlescent layered protective materials, ceramics suffer from inherent low toughness. Applying prestress proved to be an efficient method to enhance their toughness and impact resistance. In this study, prestressed biomimetic periodic laminated (TiB2TiB)/Ti protective materials were fabricated with spark plasma sintering (SPS) technology under the conditions of 1450 °C and 30 MPa in an argon atmosphere. Moreover, both experimental and numerical simulation analyses were conducted to investigate their protective performance. Compared to non-prestressed protective materials, the prestressed constrained materials exhibited the significantly improved protective performance with reduced penetration depth, substantially lower residual velocity, and kinetic energy after impact. This study provided valuable insights into the structural design and performance optimization of other protective materials.
{"title":"Biomimetic multi-layered protective materials with prestress and a periodic laminated structure","authors":"Xin Liu , Fan Zhang , Ji Zou , Weimin Wang , Wei Ji , Zhengyi Fu","doi":"10.1016/j.jmat.2025.101095","DOIUrl":"10.1016/j.jmat.2025.101095","url":null,"abstract":"<div><div>The nacreous layer of shells has become an excellent biomimetic template of materials due to its unique structure. Inspired by the highly complex multilayered structure of shells, biomimetic layered composite protective materials with outstanding strength, toughness, and impact resistance have been developed. As the hard phase in biomimetic pearlescent layered protective materials, ceramics suffer from inherent low toughness. Applying prestress proved to be an efficient method to enhance their toughness and impact resistance. In this study, prestressed biomimetic periodic laminated (TiB<sub>2</sub><img>TiB)/Ti protective materials were fabricated with spark plasma sintering (SPS) technology under the conditions of 1450 °C and 30 MPa in an argon atmosphere. Moreover, both experimental and numerical simulation analyses were conducted to investigate their protective performance. Compared to non-prestressed protective materials, the prestressed constrained materials exhibited the significantly improved protective performance with reduced penetration depth, substantially lower residual velocity, and kinetic energy after impact. This study provided valuable insights into the structural design and performance optimization of other protective materials.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101095"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144218682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101100
Saiya Liu , Wenjia Gu , Chunyang Zhang , Kejian Lu , Fei Xue , Maochang Liu
d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation. However, precise d-band regulation via theoretically feasible double heteroatom modification remains challenging. This work demonstrates a ternary metal phosphide (Fe0.5V0.5NiP) engineered through Fe/V integration to optimize the d-band center of nickel phosphide (Ni2P). Combined experimental and theoretical analyses reveal that Fe and V synergistically shift the d-band center closer to the Fermi level, thereby balancing absorption/desorption of HER intermediates. Notably, V significantly reduces water dissociation energy barriers, while FeV cooperation optimizes hydrogen-adsorption Gibbs free energy. The Fe0.5V0.5NiP achieves exceptional alkaline HER performance, delivering overpotentials of 67.9 mV (10 mA/cm2) and 203.1 mV (100 mA/cm2) in 1 mol/L KOH, surpassing the benchmark Pt/C. Remarkably, it maintains stability for 100 consecutive hours without degradation. This work provides atomic-level insights on dual-heteroatom modified d-band tuning and establishes a rational design paradigm for high-performance metal phosphide electrocatalyst.
{"title":"Solid-solution-tuned d-band center boosts alkaline hydrogen evolution","authors":"Saiya Liu , Wenjia Gu , Chunyang Zhang , Kejian Lu , Fei Xue , Maochang Liu","doi":"10.1016/j.jmat.2025.101100","DOIUrl":"10.1016/j.jmat.2025.101100","url":null,"abstract":"<div><div>d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation. However, precise d-band regulation <em>via</em> theoretically feasible double heteroatom modification remains challenging. This work demonstrates a ternary metal phosphide (Fe<sub>0.5</sub>V<sub>0.5</sub>NiP) engineered through Fe/V integration to optimize the d-band center of nickel phosphide (Ni<sub>2</sub>P). Combined experimental and theoretical analyses reveal that Fe and V synergistically shift the d-band center closer to the Fermi level, thereby balancing absorption/desorption of HER intermediates. Notably, V significantly reduces water dissociation energy barriers, while Fe<img>V cooperation optimizes hydrogen-adsorption Gibbs free energy. The Fe<sub>0.5</sub>V<sub>0.5</sub>NiP achieves exceptional alkaline HER performance, delivering overpotentials of 67.9 mV (10 mA/cm<sup>2</sup>) and 203.1 mV (100 mA/cm<sup>2</sup>) in 1 mol/L KOH, surpassing the benchmark Pt/C. Remarkably, it maintains stability for 100 consecutive hours without degradation. This work provides atomic-level insights on dual-heteroatom modified d-band tuning and establishes a rational design paradigm for high-performance metal phosphide electrocatalyst.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101100"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144329269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101117
Mingyue Yang , Liangyu Mo , Jincheng Qin , Faqiang Zhang , Mingsheng Ma , Yongxiang Li , Zhifu Liu
The temperature coefficient of resonance frequency (τf or TCF) is the key parameter for evaluating temperature stability of microwave dielectric ceramics. In this work, a machine learning framework was proposed to predict the τf values of ABO3-type microwave dielectric ceramics. Leveraging a curated dataset of 104 single-phase ABO3-type compounds, we systematically evaluated models based on five machine learning algorithms using 31 structural descriptors as input features. The eXtreme Gradient Boosting (XGB) algorithm emerged as the optimal predictive model, demonstrating robust performance on the test set (R2 = 0.7799, RMSE = 15.7494 × 10−6 °C−1). Consistent results on the validation set further confirmed its generalization capability. Critical features contributing to the model's performance include molecular dielectric polarizability (pm), tolerance factor (tt), ionic volume (Vi) and relative molecular mass (m). Structure-property relationship studies revealed that the pm plays an important role in modulating the τf value by affecting the permittivity. Quantitative thresholds for these critical descriptors were also derived for identifying materials with near-zero τf. This work provides an effective data-driven approach for accelerating the discovery of microwave dielectric ceramics with good temperature stability.
{"title":"Machine learning assisted τf value prediction of ABO3-type microwave dielectric ceramics","authors":"Mingyue Yang , Liangyu Mo , Jincheng Qin , Faqiang Zhang , Mingsheng Ma , Yongxiang Li , Zhifu Liu","doi":"10.1016/j.jmat.2025.101117","DOIUrl":"10.1016/j.jmat.2025.101117","url":null,"abstract":"<div><div>The temperature coefficient of resonance frequency (<em>τ</em><sub>f</sub> or TCF) is the key parameter for evaluating temperature stability of microwave dielectric ceramics. In this work, a machine learning framework was proposed to predict the <em>τ</em><sub>f</sub> values of ABO<sub>3</sub>-type microwave dielectric ceramics. Leveraging a curated dataset of 104 single-phase ABO<sub>3</sub>-type compounds, we systematically evaluated models based on five machine learning algorithms using 31 structural descriptors as input features. The eXtreme Gradient Boosting (XGB) algorithm emerged as the optimal predictive model, demonstrating robust performance on the test set (<em>R</em><sup>2</sup> = 0.7799, RMSE = 15.7494 × 10<sup>−6</sup> °C<sup>−1</sup>). Consistent results on the validation set further confirmed its generalization capability. Critical features contributing to the model's performance include molecular dielectric polarizability (<em>p</em><sub>m</sub>), tolerance factor (<em>t</em><sub>t</sub>), ionic volume (<em>V</em><sub>i</sub>) and relative molecular mass (<em>m</em>). Structure-property relationship studies revealed that the <em>pm</em> plays an important role in modulating the <em>τ</em><sub>f</sub> value by affecting the permittivity. Quantitative thresholds for these critical descriptors were also derived for identifying materials with near-zero <em>τ</em><sub>f</sub>. This work provides an effective data-driven approach for accelerating the discovery of microwave dielectric ceramics with good temperature stability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101117"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101160
Kunihito Koumoto, Dario Narducci, Prashun Gorai
{"title":"Disruptive new concepts in thermoelectricity","authors":"Kunihito Koumoto, Dario Narducci, Prashun Gorai","doi":"10.1016/j.jmat.2025.101160","DOIUrl":"10.1016/j.jmat.2025.101160","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101160"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145894282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101106
Abdullah Al Mahmud , Ramaraj Sukanya , Raj Karthik , Deivasigamani Ranjith Kumar , Carmel B. Breslin , Jae-Jin Shim
Two-dimensional transition metal dichalcogenides (TMDs) have attracted interest as efficient electrocatalysts for water splitting. Among them, molybdenum diselenide (MoSe2) exhibits promising activity due to its exposed active edge sites and favorable electronic properties. However, its performance is restricted by an inert basal plane and low conductivity. To address these limitations, metal doping and interface engineering were employed to tailor the lattice, electronic, and surface characteristics of MoSe2. In this study, Ni-, Co-, and Mn-doped MoSe2 and molybdenum carbide (Mo2C) heterostructures were synthesized via a hydrothermal method and characterized using XRD, SEM, XPS, TEM, and EDS. Ni-doped MoSe2/Mo2C demonstrated the best bifunctional electrocatalytic performance, with overpotentials of 470 mV for OER and 290 mV for HER, representinga 5%–30% improvement over Co- and Mn-doped samples and a 38%–53% enhancement compared to undoped MoSe2/Mo2C. The corresponding Tafel slopes of 159 mV/dec (OER) and 97 mV/dec (HER) indicated accelerated reaction kinetics. High double-layer capacitance and electrochemical surface area values confirmed the improved catalytic activity. These results demonstrate that metal doping and interface modulation significantly enhance the electrocatalytic efficiency, stability, and durability of MoSe2/Mo2C heterostructures, demonstrating Ni-doped MoSe2/Mo2C as a promising bifunctional catalyst for water splitting.
{"title":"Synergistic promotion and enhanced water splitting in Mn, Co, Ni-doped MoSe2/Mo2C heterostructures via doping and interface engineering","authors":"Abdullah Al Mahmud , Ramaraj Sukanya , Raj Karthik , Deivasigamani Ranjith Kumar , Carmel B. Breslin , Jae-Jin Shim","doi":"10.1016/j.jmat.2025.101106","DOIUrl":"10.1016/j.jmat.2025.101106","url":null,"abstract":"<div><div>Two-dimensional transition metal dichalcogenides (TMDs) have attracted interest as efficient electrocatalysts for water splitting. Among them, molybdenum diselenide (MoSe<sub>2</sub>) exhibits promising activity due to its exposed active edge sites and favorable electronic properties. However, its performance is restricted by an inert basal plane and low conductivity. To address these limitations, metal doping and interface engineering were employed to tailor the lattice, electronic, and surface characteristics of MoSe<sub>2</sub>. In this study, Ni-, Co-, and Mn-doped MoSe<sub>2</sub> and molybdenum carbide (Mo<sub>2</sub>C) heterostructures were synthesized via a hydrothermal method and characterized using XRD, SEM, XPS, TEM, and EDS. Ni-doped MoSe<sub>2</sub>/Mo<sub>2</sub>C demonstrated the best bifunctional electrocatalytic performance, with overpotentials of 470 mV for OER and 290 mV for HER, representinga 5%–30% improvement over Co- and Mn-doped samples and a 38%–53% enhancement compared to undoped MoSe<sub>2</sub>/Mo<sub>2</sub>C. The corresponding Tafel slopes of 159 mV/dec (OER) and 97 mV/dec (HER) indicated accelerated reaction kinetics. High double-layer capacitance and electrochemical surface area values confirmed the improved catalytic activity. These results demonstrate that metal doping and interface modulation significantly enhance the electrocatalytic efficiency, stability, and durability of MoSe<sub>2</sub>/Mo<sub>2</sub>C heterostructures, demonstrating Ni-doped MoSe<sub>2</sub>/Mo<sub>2</sub>C as a promising bifunctional catalyst for water splitting.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101106"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144565704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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