Journal of Materiomics最新文献_第3页

Enhancing ferroelectric properties of Hf0.5Zr0.5O2 thin films using the HfN/TiN and W/TiN bi-layer bottom electrodes 采用HfN/TiN和W/TiN双层底电极增强Hf0.5Zr0.5O2薄膜的铁电性能

IF 9.6 1区材料科学

Journal of Materiomics Pub Date : 2025-07-23 DOI: 10.1016/j.jmat.2025.101109

Han Sol Park, Joong Chan Shin, Kyung Do Kim, Seong Jae Shin, Jae Hee Song, Seung Kyu Ryoo, In Soo Lee, Suk Hyun Lee, Hyunwoo Nam, Cheol Seong Hwang

{"title":"Enhancing ferroelectric properties of Hf0.5Zr0.5O2 thin films using the HfN/TiN and W/TiN bi-layer bottom electrodes","authors":"Han Sol Park, Joong Chan Shin, Kyung Do Kim, Seong Jae Shin, Jae Hee Song, Seung Kyu Ryoo, In Soo Lee, Suk Hyun Lee, Hyunwoo Nam, Cheol Seong Hwang","doi":"10.1016/j.jmat.2025.101109","DOIUrl":"10.1016/j.jmat.2025.101109","url":null,"abstract":"<div><div>This study clarifies the influence of single-layer (TiN, HfN, W) and bi-layer (HfN/TiN, W/TiN) bottom electrodes (BEs) on the ferroelectric performance and reliability of the 10-nm-thick Hf0.5Zr0.5O2 (HZO) thin films. A smaller thermal expansion coefficient in HfN or W imposes higher in-plane tensile stress on the HZO thin films, facilitating the polar orthorhombic (o-) phase fraction and enhancing remanent polarization (Pr). However, thicker interfacial layers formed when HfN or W single-layer BE and HZO contacted directly, leading to excessive leakage current and degraded ferroelectric performance. These excessive interfacial layers were effectively suppressed by inserting a thin (5 nm–20 nm) TiN layer on the HfN or W BEs. As a result, the HZO thin films on the HfN/TiN and W/TiN bi-layer BEs decrease the HZO grain size, facilitating the o-phase formation (increasing Pr) and lowering the film's coercive field. However, the higher surface roughness of the W/TiN bi-layer BEs induced excessive leakage current and reliability degradation. In contrast, the HfN BEs with a 10- or 20-nm-thick upper TiN layer lower the surface roughness of the BEs, thereby eliminating the adverse effects. As a result, the HfN 40 nm/TiN 10 nm/HZO/TiN stack exhibited enhanced ferroelectric performance up to 109 switching cycles with a lower cycling field of 2.7 MV/cm than the TiN 50 nm/HZO/TiN stack with a cycling field of 3.7 MV/cm.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 6","pages":"Article 101109"},"PeriodicalIF":9.6,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144684682","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}

引用次数: 0

A core-shell structure to realize high thermoelectric performance in Fe and Sb co-doped GeTe materials 采用核壳结构实现Fe和Sb共掺GeTe材料的高热电性能

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-07-16 DOI: 10.1016/j.jmat.2025.101108

Fengting Mao, Zhongwei Zhang, Sijing Zhu, Chengyan Liu, Jie Gao, Jun-Liang Chen, Xiaoyang Wang, Tong Xing, Lei Miao

{"title":"A core-shell structure to realize high thermoelectric performance in Fe and Sb co-doped GeTe materials","authors":"Fengting Mao, Zhongwei Zhang, Sijing Zhu, Chengyan Liu, Jie Gao, Jun-Liang Chen, Xiaoyang Wang, Tong Xing, Lei Miao","doi":"10.1016/j.jmat.2025.101108","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101108","url":null,"abstract":"GeTe is a promising medium-temperature thermoelectric material. However, an excessively high concentration of Ge holes leads to a high hole carrier concentration, which can degrade its performance. Though carrier concentration reduction via doping has been pursued as a principal optimization approach, the strong interdependence between key transport parameters and carrier concentration severely limited the overall enhancement efficacy. In this work, a simple composite method is employed to achieve synergistic optimization of carrier concentration and carrier mobility, thereby increasing the power factor and reducing the lattice thermal conductivity. Sb and Fe form a core-shell structure, which effectively scatters phonons and reduces the lattice thermal conductivity, achieving a minimum value of 0.59 W⸱m–1⸱K–1 at 723 K. Additionally, Fe doping enhances the effective mass, improves the Seebeck coefficient, and significantly boosts the power factor, which reaches a peak value of 43.0 μW⸱cm–1⸱K–2 at 623 K. The results demonstrate that the sample Ge0.885Sb0.1Fe0.015Te achieves a maximum zT of approximately 2.13 at 723 K and an average zT (zTavg) of 1.43 within the temperature range of 323 K to 773 K. This work provides an effective path to enhance the performance of GeTe-based thermoelectric materials.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"14 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144645564","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}

引用次数: 0

Aliovalent co-doping induces relaxor states with enhanced electrostrain in BNT-based ceramics 共价共掺杂在bnt基陶瓷中诱导弛豫态并增强电应变

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-07-09 DOI: 10.1016/j.jmat.2025.101107

Amei Zhang, Wanchang Man, Ruiyi Jing, Hongping Hou, Yule Yang, Leiyang Zhang, Hongliang Du, Li Jin

{"title":"Aliovalent co-doping induces relaxor states with enhanced electrostrain in BNT-based ceramics","authors":"Amei Zhang, Wanchang Man, Ruiyi Jing, Hongping Hou, Yule Yang, Leiyang Zhang, Hongliang Du, Li Jin","doi":"10.1016/j.jmat.2025.101107","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101107","url":null,"abstract":"Developing high-performance lead-free electrostrain materials is key to advancing next-generation electromechanical technologies. Here we report an aliovalent co-doping strategy in (Bi0.5Na0.5)TiO3-based (BNT-based) ceramics, where simultaneous A-site (Li+) and B-site (Nb5+) co-doping yields (1−x)Bi0.5(Na0.81K0.19)0.5TiO3-xLiNbO3 (BNKT-xLN, x = 0.01–0.04) compositions. The aliovalent substitution disrupts long-range ferroelectric order, enhances lattice distortion, and promotes a relaxor-like state with diffuse phase transitions and strong dielectric dispersion. Complementary polarization–electric field (P–E) and strain–electric field (S–E) measurements demonstrate a progressive evolution from classical ferroelectrisc to nonergodic relaxor behavior as the doping level increases. The optimized composition at x = 0.02 exhibits a large reversible electrostrain of approximately 0.55% associated with a temperature-driven reversible phase transition. Notably, BNKT-xLN ceramics achieve electric-field-induced polarizations exceeding 50 μC/cm2, while exhibiting a relatively low electrostrictive coefficient Q33 of ∼0.018 m4/C2, suggesting their potential as energy storage matrices due to the weak polarization–strain coupling effect. These results underscore the importance of aliovalent co-doping strategy in modulating the energy landscape of BNT-based systems, offering a viable strategy for developing high-strain, lead-free electroceramics suited to next-generation actuators and energy storage devices.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"8 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144586851","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}

引用次数: 0

Synergistic Promotion and Enhanced Water Splitting in Mn, Co, Ni-Doped MoSe2/Mo2C Heterostructures via Doping and Interface Engineering 基于掺杂和界面工程的Mn， Co， ni掺杂MoSe2/Mo2C异质结构的协同促进和水分裂增强

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-07-05 DOI: 10.1016/j.jmat.2025.101106

Abdullah Al Mahmud, Ramaraj Sukanya, Raj Karthik, Deivasigamani Ranjith Kumar, Carmel B. Breslin, Jae-Jin Shim

{"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":"https://doi.org/10.1016/j.jmat.2025.101106","url":null,"abstract":"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, representing a 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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"29 1","pages":"101106"},"PeriodicalIF":9.4,"publicationDate":"2025-07-05","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}

引用次数: 0

Enhanced polarization and reliability of hafnia-based ferroelectrics with 0.1 nm AlOx insertion layer 0.1 nm AlOx插入层增强了铪基铁电体的极化和可靠性

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-06-27 DOI: 10.1016/j.jmat.2025.101104

Xin Liu, Junfeng Zheng, Kunhao Chen, Dandan Qu, Jiyang Wu, Ruiqiang Tao, Zhen Fan, Jiyan Dai, Junming Liu, Xubing Lu

{"title":"Enhanced polarization and reliability of hafnia-based ferroelectrics with 0.1 nm AlOx insertion layer","authors":"Xin Liu, Junfeng Zheng, Kunhao Chen, Dandan Qu, Jiyang Wu, Ruiqiang Tao, Zhen Fan, Jiyan Dai, Junming Liu, Xubing Lu","doi":"10.1016/j.jmat.2025.101104","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101104","url":null,"abstract":"HfO<ce:inf loc=\"post\">2</ce:inf>-based ferroelectrics have emerged as promising candidates for next-generation memory applications due to their superior scalability and CMOS compatibility. However, the inherent trade-off between polarization characteristics and switching reliability remains a critical challenge. This study presents a systematic investigation of doping and intercalation effects on the continuous modulation of grain size and oxygen vacancies in AlO<ce:inf loc=\"post\"><ce:italic>x</ce:italic></ce:inf>-inserted Hf<ce:inf loc=\"post\">0.5</ce:inf>Zr<ce:inf loc=\"post\">0.5</ce:inf>O<ce:inf loc=\"post\">2</ce:inf> (HZO) films. Our findings reveal that only 0.1 nm AlO<ce:inf loc=\"post\"><ce:italic>x</ce:italic></ce:inf> insertion layer in HZO can significantly reduce the leakage current (by 2 orders of magnitude) and improve the <ce:italic>P</ce:italic><ce:inf loc=\"post\">r</ce:inf>/<ce:italic>E</ce:italic><ce:inf loc=\"post\">c</ce:inf> value (by 44.6%). Moreover, the field cycling characteristics are enhanced through the suppression of the paraelectric m-phase as well as the balancing of fatigue and wake-up induced phase transitions between antiferroelectric t-phase and ferroelectric o-phase. This work offers valuable insights into the fabrication of high-performance and highly reliable HfO<ce:inf loc=\"post\">2</ce:inf>-based ferroelectric thin films.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"16 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515635","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}

引用次数: 0

Nanofiller Orientation-enhanced electrocaloric effect: A case study of P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3 composites 纳米填料取向增强的热效应：以P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3复合材料为例

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-06-26 DOI: 10.1016/j.jmat.2025.101105

Cancan Shao, Xiaoming Shi, Ke Xu, Rongzhen Gao, Shiyu Tang, Zhaobo Liu, Houbing Huang

{"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":"https://doi.org/10.1016/j.jmat.2025.101105","url":null,"abstract":"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<ce:inf loc=\"post\">0.67</ce:inf>Sr<ce:inf loc=\"post\">0.33</ce:inf>TiO<ce:inf loc=\"post\">3</ce:inf> (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 <ce:italic>P</ce:italic>–<ce:italic>E</ce:italic> 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<ce:italic>T</ce:italic> using the LGD method reveals that these three factors of BST67 can independently increase Δ<ce:italic>T</ce:italic>, 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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"26 1","pages":"101105"},"PeriodicalIF":9.4,"publicationDate":"2025-06-26","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}

引用次数: 0

Polarization stability in lead-free Na0.5Bi0.5TiO3 ceramics: Grain size and temperature effects 无铅Na0.5Bi0.5TiO3陶瓷的极化稳定性：晶粒尺寸和温度影响

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-06-23 DOI: 10.1016/j.jmat.2025.101102

Marija Dunce, Vladimir V. Shvartsman, Mahmoud Hotari, Doru C. Lupascu, Eriks Birks, Andrei Kholkin

{"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":"https://doi.org/10.1016/j.jmat.2025.101102","url":null,"abstract":"The stability of the polarization state in Na<ce:inf loc=\"post\">0.5</ce:inf>Bi<ce:inf loc=\"post\">0.5</ce:inf>TiO<ce:inf loc=\"post\">3</ce:inf> (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 (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, <ce:italic>e.g.</ce:italic> 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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"38 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-23","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}

引用次数: 0

Influence of deposition temperature and precursor chemistry on the properties of atomic layer deposited Hf0.5Zr0.5O2 thin films 沉积温度和前驱体化学对沉积Hf0.5Zr0.5O2薄膜原子层性能的影响

IF 9.6 1区材料科学

Journal of Materiomics Pub Date : 2025-06-18 DOI: 10.1016/j.jmat.2025.101101

Seong Jae Shin, Hani Kim, Seungyong Byun, Jonghoon Shin, Jinwoo Choi, Suk Hyun Lee, Kyung Do Kim, Jae Hee Song, Dong Hoon Shin, Soo Hyung Lee, In Soo Lee, Hyunwoo Nam, Cheol Seong Hwang

{"title":"Influence of deposition temperature and precursor chemistry on the properties of atomic layer deposited Hf0.5Zr0.5O2 thin films","authors":"Seong Jae Shin, Hani Kim, Seungyong Byun, Jonghoon Shin, Jinwoo Choi, Suk Hyun Lee, Kyung Do Kim, Jae Hee Song, Dong Hoon Shin, Soo Hyung Lee, In Soo Lee, Hyunwoo Nam, Cheol Seong Hwang","doi":"10.1016/j.jmat.2025.101101","DOIUrl":"10.1016/j.jmat.2025.101101","url":null,"abstract":"<div><div>This study examined the effects of deposition temperature on Hf0.5Zr0.5O2 (HZO) thin films deposited using atomic layer deposition (ALD) with Tetrakis(ethylmethylamino) (TEMA) Hf, Zr, and cyclopentadienyl (CP)-linked Hf, Zr precursors. The discrete feeding method was utilized to stabilize the growth per cycle, addressing challenges related to CP-linked precursors' high viscosity and molecular mass. The ALD temperature windows for HfO2 and ZrO2 films using the CP-linked precursors were 330–370 °C and 290–330 °C, respectively, higher than those using the TEMA precursors (250–280 °C). Films deposited at higher temperatures with CP-linked precursors showed higher density and lower leakage currents than those with TEMA precursors, showing ferroelectric hysteresis loops from Hf0.5Zr0.5O2 (HZO) film at thicknesses as low as 5 nm without a wake-up process. In contrast, the film using TEMA precursor required a minimum thickness of 18 nm to exhibit similar properties. Crystallographic analysis revealed improved crystallization, larger grain sizes, and lower tensile stress in films deposited at higher temperatures. Also, in-situ crystallization was achievable for HZO films thicker than 6 nm when deposited at elevated temperatures. These findings demonstrate that higher temperature deposition by adopting CP-linked precursors enhances HZO thin film properties, making them suitable for advanced ferroelectric memory applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 6","pages":"Article 101101"},"PeriodicalIF":9.6,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319426","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}

引用次数: 0

Solid-solution-tuned d-band center boosts alkaline hydrogen evolution 固溶体调谐的d波段中心促进碱性氢的演化

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-06-18 DOI: 10.1016/j.jmat.2025.101100

Saiya Liu, Wenjia Gu, Chunyang Zhang, Kejian Lu, Fei Xue, Maochang Liu

{"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":"https://doi.org/10.1016/j.jmat.2025.101100","url":null,"abstract":"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 Fe–V 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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"37 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-18","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}

引用次数: 0

Friction constructing a capacity-compensation interlayer enabled the stable lithium metal batteries 摩擦形成容量补偿夹层，使锂金属电池稳定

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2025-06-18 DOI: 10.1016/j.jmat.2025.101098

Shaozhen Huang, An Wang, Jiahua Liao, Xiangli Zhong, Hongjia Song, Chao Zhong, Zhongming Wang, Yuejiao Chen, Kecheng Long, Jinbin Wang, Libao Chen

{"title":"Friction constructing a capacity-compensation interlayer enabled the stable lithium metal batteries","authors":"Shaozhen Huang, An Wang, Jiahua Liao, Xiangli Zhong, Hongjia Song, Chao Zhong, Zhongming Wang, Yuejiao Chen, Kecheng Long, Jinbin Wang, Libao Chen","doi":"10.1016/j.jmat.2025.101098","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101098","url":null,"abstract":"The high-energy-density lithium metal batteries (LMBs) is expected to drive the development of the low-altitude economy and electro vehicles. Nevertheless, the practical application of lithium anodes is hampered by well-known issues of unstable interfacial electrochemistry. For the cathode materials with or without Li in the lithium metal batteries, the mechanisms and problems faced on the interfacial stabilization regulation of the Li anodes are different. Herein, based on in-depth consideration of lithium-free cathode (S) and lithium-containing cathode (NCM811) systems, respectively, we present a friction coating strategy to create an interlayer on the lithium foil anodes (LS@Li and LSe@Li) and lithium boron alloy anodes (LS@LiB and LSe@LiB), which can compensate for sulfur loss and achieve dendrite-free lithium plating. Deeply discuss and reveal the differences of interfacial electrodeposition of LS and LSe interlayers based on the interfacial capacitance. By using this modified interface layer design, we have achieved simultaneous improvement in the performance of both Li||S batteries and Li||NCM811 batteries (lifespan increased by 1.3 times and capacity increased by 1.8 times for Li||S as well as lifespan increased by 2.8 times for Li||NCM811). This strategy forms a stable interlayer based on incomplete mechanochemical reactions, which paves a new way for high-energy-density LMBs.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"14 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319427","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}

引用次数: 0