Nature Communications
·
2026
·
IF 18.1
Li Tong,Peng Linkai,Qin Xianying,Gu Sichen,Shi Jiwei,Song Qiuchen,Zhang Bohan,Lv Wei,Kang Feiyu
Scalable production of high-quality 2D nanosheets remains challenging because existing top-down and bottom-up methods typically face a trade-off between material quality, yield, and cost. Here, we report the seconds-scale (~12 s) production of high-quality 2D crystals via polycyclic aromatic hydrocarbon radical anion (PAH •- )-mediated organoalkali intercalation. The tunable reduction potential and electron-transfer capability of PAH •- enable ultrafast alkali-ion intercalation within seconds in the stable potential of layered hosts. For graphite, sodium naphthalenide (Na-Naph) forms a stage-1 graphite intercalation compound in only 1 s, and subsequent hydrolysis-driven exfoliation in 11 s yields graphene with >88% yield and >50% single-layer ratio, with a negligible increase in defect density (I D /I G ratio from ~0.10 to ~0.11). This strategy is further extended to the exfoliation of few-layer (3-5 layers) transition-metal sulfides, selenides, and tellurides while preserving their intrinsic crystal phases. This work establishes a practical, high-yield route for rapid intercalation-driven exfoliation, offering a scalable platform for manufacturing high-quality 2D crystals.
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高影响因子
Joule
·
2026
·
IF 37.1
Haipeng You,Jiahui Chen,Ruhong Li,Long Chen,Ke Wang,Yuxin Qiu,Jiaqing Jiang,Yiting Lin,Menglei Yao,Hongming Yang,Yuhang Li,Zhen Song,Xiulin Fan,Chunzhong Li
Commercial lithium-ion battery electrolytes rely heavily on expensive LiPF 6 , making electrolyte cost a growing concern for battery deployment. Here, machine learning was used to help select dimethylacetamide as the basic solvent for LiNO 3 to yield a low-concentration electrolyte (0.38 M). Remarkably, techno-economic analysis shows that this approach directly reduces the cost of the electrolyte by up to 37.1%. The electrolyte delivered a 4.65-V electrochemical window, an ionic conductivity of 3.34 × 10 −3 S cm −1 , and stable operation from −40°C to 50°C. Its Li 3 N/LiF-rich and inorganic-organic hybrid interphases enabled stable cycling of NMC811, graphite, and lithium-metal electrodes. A 1-Ah NMC811||graphite pouch cell retained 91.3% capacity after 500 cycles. As validated here, dilute electrolytes are expected to present an innovative solution for low-cost batteries.
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高影响因子
Processes
·
2026
·Vol. 14
·期 13
·2173
·
IF 3.4
Zerui Bi,Xiaokai Zhou,Weiyue Feng,Fangang Zeng
Given the confining effect of porous carbon and strong surface polarity of transition metal phosphides, their composite would be a promising cathode candidate to solve the problems of lithium–sulfur batteries including volume expansion and the shuttling effect of polysulfides. Herein, cobalt phosphide (CoP)-loaded phosphorous (P)-containing carbonized bamboo (CoP/PCBs) composites were fabricated via the co-pyrolysis of phytic acid, waste bamboo and Co(NO3)2·6H2O via Joule heating at 600–1200 °C. Hydrogen radicals released from phytic acid enabled CoP/PCBs with developed porosity (438.1–812.4 m2/g). CoP nanoparticles coated with graphitic carbon were distributed uniformly on a porous matrix of PCBs. CoP/PCBs presented obviously enhanced adsorption capabilities for Li2S6, and 57.8–80.4 wt.% of sulfur was confined in CoP/PCBs/S cathodes. CoP/PCB heated at 1200 °C exhibited a high reversible capacity of 477.5 mAh/g after 500 cycles at a current density of 1 C with an average capacity decay rate of 0.045%. The specific capacity remained at 453.3 mAh/g after 300 cycles even under a high sulfur load of 4.0 mg/cm2. Conversion of sulfur/polysulfides during the electrochemical process could be promoted via the physical confinement of sulfur and chemical confinement of Li2S6. This work provided a valuable reference for the facile fabrication of lithium–sulfur cathodes and utilization of metal phosphides in advanced lithium–sulfur battery systems.
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Nanomaterials
·
2026
·Vol. 16
·期 16
·1016
·
IF 4.8
Dehang Ren,Yujiang Sun,Yuzhe Zhang,Xiao Sun,Shijie Xu,Jiakai Wang,Yifan Yan,Xuanting Ding,Yongan Yang
The practical viability of lithium–sulfur batteries (LSBs) is severely hindered by sluggish liquid–solid conversion kinetics and the polysulfide shuttle effect. Herein, we report an in situ-derived ferroelectric-semiconductor Bi4Ti3O12-Bi2S3heterojunction as a multifunctional separator coating. The intimate atomic-level coupling at the heterointerface generates a built-in electric field that, synergizing with the spontaneous ferroelectric polarization of Bi4Ti3O12, structurally intensifies polysulfide chemisorption and lowers the activation energy for bi-directional Li2S precipitation/dissociation. Furthermore, the localized polar field appears to homogenize lithium-ion flux, which may contribute to improved lithium anode stability. Consequently, cells featuring the modified separator deliver a high initial capacity of 1172 mAh g−1at 0.5 C and demonstrate good cycling stability over 500 cycles with a low capacity decay rate of 0.096% per cycle. This in situ interfacial engineering offers a promising kinetic regulatory strategy for improving the performance of LSBs.
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高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
·
2026
·Vol. 130
·期 29
·7433-7443
·
IF 3.2
Ma Jing,Yamaguchi Toshio,Tseng Jochi,Yamada Hiroki,Yu Zhiwu,Zhou Yongquan
The concentration-dependent local
structure and ion solvation behavior
in sodium triflate NaOTf/dimethoxyethane (DME) electrolytes were systematically
investigated by integrating large-angle X-ray scattering (LAXS) with
atomic modeling, IR, and density functional theory (DFT) calculations
across a range of salt concentrations ( x (NaOTf) =
0, 0.05, 0.1, and 0.2). LAXS data-driven all-atomic modeling reveals
that Na + ions preferentially induce DME to adopt the trans–gauche–trans
(TGT) conformation, with each DME molecule coordinating to Na + in a bidentate chelation mode via both oxygen atoms. Quantitative
analysis of center-of-mass radial distribution functions shows that
the average number of DME molecules coordinating to Na + decreases from 2.2 at x (NaOTf) = 0.05 to 1.1 at x (NaOTf) = 0.2, while the average number of associated OTf – anions per Na + increases from 0.9 to 2.3
over the same concentration range. Pair distribution functions combined
with DFT-optimized cluster geometries indicate that Na + maintains a total coordination number of 5.4–5.8, with concentration-dependent
contributions from the oxygen atoms in both DME and OTf – . The Na + -OTf – contact ion pairs exhibit
two distinct configurations: bidentate (CIPB) with a Na–S distance
of 2.94 Å and monodentate (CIPM) with a Na–S distance
of 3.69 Å. The fraction of CIPB decreases from 56% at x (NaOTf) = 0.05 to 28% at x (NaOTf) = 0.2,
while the fraction of CIPM increases correspondingly from 44% to 72%.
Speciation analysis based on coordination number distributions reveals
that at x (NaOTf) = 0.05, 49% of Na + exists
as [Na-3DME] + , 44% as neutral [Na-1OTf-2DME] 0 , and 7% as anionic [Na-2OTf-1DME] − ; at x (NaOTf) = 0.2, the dominant species becomes [Na-2OTf-1DME] − (35%), followed by [Na-3OTf] 2– (29%),
with only 20% remaining as neutral [Na-1OTf-2DME] 0 . This
systematic evolution from solvent-separated ions to contact ion pairs
and higher-order ionic aggregates with increasing salt concentration
provides a quantitative structural basis for understanding the nonlinear
ionic conductivity behavior in glyme-based sodium electrolytes.
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高影响因子
ACS Applied Materials & Interfaces
·
2026
·Vol. 18
·期 31
·42651-42663
·
IF 7.8
Zhang Jingyu,He Guangpeng,Yang Yazi,Zeng Liyun,Wu Wenwei,Wu Xuehang
Quasi-solid polymer electrolytes (QSPEs) are being explored as a promising alternative to liquid electrolytes to enhance the safety of sodium-metal batteries (SMBs). However, their practical application is hindered by a low Na + transference number, Na dendrite growth, and interfacial deterioration. Herein, a highly conductive and flame-retardant poly(1,3-dioxolane) (PDOL) electrolyte is developed through in situ polymerization at room temperature using GaCl 3 as both the initiator and interfacial modifier. The incorporation of 0.6 mM GaCl 3 achieves a high conversion rate of 90.2% for DOL, along with a Na + transference number of 0.477. An in situ construction of a Ga 0 /NaCl-rich solid electrolyte interphase (SEI) film with composition-gradient distribution is achieved. The NaCl-rich outer layer of the SEI reduces the Na + migration energy barrier and inhibits electron transfer to mitigate interfacial side reactions. The Ga metal in the inner layer of the SEI, characterized by a strong affinity for sodium and high homogeneous diffusion capability due to its low melting point, promotes uniform Na deposition and suppresses dendrite formation. As a result, the Na||Na 3 V 2 (PO 4 ) 3 full cell with GaCl 3 -initiated PDOL electrolyte exhibits superior cycling stability, retaining 91.0% discharge capacity after 3000 cycles at 1C. This work broadens the prospects for developing safe and high-performance solid-state SMBs by integrating electrolyte design with interfacial engineering.
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高影响因子
Digital Discovery
·
2026
·Vol. 5
·期 2
·931-944
·
IF 5.6
Jie Shen,Chenyu Wang,Libin Chen,Shaoqin Jiang,Jianhui Chen,Cuilian Wen,Bo Wu,Baisheng Sa,Lin-Wang Wang
Machine learning force fields (MLFFs) are rapidly evolving to provide molecular dynamics simulations of molecules and materials with an accuracy comparable to ab initio methods, while significantly reducing the need for computational resources. However, conventional MLFFs are generally system-specific; introducing new chemical components requires assembling a new training dataset and retraining the entire model from scratch. To address this, we present a density-based machine learning force field (DBMLFF). The key advantage of DBMLFF lies in its modular parametrization strategy: by modeling each molecular species independently, the resulting force fields achieve seamless transferability across diverse chemical environments and retaining high accuracy without the need for retraining. This significantly improves model portability and cross-system applicability. Unlike most of the statistically based MLFFs, DBMLFF is a physics-based force field with machine learning components in it. It computes intermolecular interactions directly from electron density, enabling accurate descriptions of complex non-bonded behavior. In terms of computational efficiency, DBMLFF is three orders of magnitude faster than ab initio molecular dynamics and exhibits linear scaling with system size, allowing efficient simulations of large-scale systems. These features make DBMLFF a robust tool for multi-component electrolyte MD simulations, ideal for practical electrochemical systems with variable compositions and large scales.
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高影响因子
RARE METALS
·
2026
·Vol. 45
·期 1
·e70176
·
IF 12.1
Mengchen Zhang,Xiaojing Zhang,Qingbing Xia,Long Jiang,Lingfeng Liu,Woying Li,Guoqiang Ma,Da Wang,Changyu Liu,Jianbo Jia,Junhui Zhou,Hao Chen,Chao Xing
en Lithium-sulfur batteries (LSBs) face sluggish sulfur reduction reaction kinetics and severe polysulfide shuttling issues, which significantly limit their performance. In this work, a multifunctional separator with a 3D porous framework featuring confined pore structures and selective adsorption capability is constructed to address these challenges. Within this separator, Lewis acid–base interactions between Ce-MOF-808 and lignosulfonate (SL) effectively regulate the Ce 4+ catalytic activity, thereby lowering the kinetic barrier and accelerating the conversion of short-chain polysulfides into insoluble Li 2 S during the liquid-solid transformation. Furthermore, SL prevents the accumulation of long-chain polysulfides near the Ce 4+ sites through localized electrostatic repulsion, avoiding catalyst poisoning and thereby maintaining continuous catalytic availability. These synergistic effects collectively enable long-lasting catalytic activity toward polysulfide conversion in LSBs, resulting in a fivefold enhancement in capacity and an impressively low capacity decay rate of just 0.033% per cycle over 500 cycles at 1C. This work underscores the transformative potential of Lewis acid–base interactions for enhancing sulfur redox kinetics and introduces a versatile methodology for designing advanced separators for LSBs. 摘要 zh 锂硫电池面临硫还原反应动力学缓慢和严重多硫化物穿梭问题,这显著限制了其性能。在本工作中,我们构建了一种具有受限孔结构和选择性吸附能力的三维多孔框架的多功能隔膜,以应对这些挑战。在该隔膜中,Ce-MOF-808与木质素磺酸盐之间的路易斯酸-碱相互作用有效调控了Ce 4+ 的催化活性,从而降低动力学障碍,加速液-固转化过程中短链多硫化物向不溶性Li 2 S的转化。此外,木质素磺酸钠通过局部静电排斥防止长链多硫化物在Ce 4+ 位点附近积累,从而避免了催化剂中毒,并维持连续的催化可用性。这些协同效应共同促使锂硫电池实现长效的多硫化物转化催化活性,使电池容量提高了五倍,并且在1C条件下经过500个循环后的容量衰减率极低,仅为每循环0.033%。这项工作强调了路易斯酸碱相互作用在增强硫氧化还原动力学方面的变革潜力,并引入了一种用于设计先进锂硫电池隔膜的多功能方法。
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高影响因子
ACS Nano
·
2026
·
IF 17.3
Yu Wu,Bowen Jin,Lin Sun,Shimeng Zhang,Jin Ye,Jianxiong Gao,Zhilong Wang,Xinyu Zhao,Mingliang Zuo,Mingfei Shao
Rechargeable magnesium-metal batteries (RMBs) have been regarded as promising candidates for energy storage systems owing to the high volumetric capacity, favorable safety profile, and high crustal abundance of Mg. However, the performance of RMBs is constrained by sluggish Mg2+ diffusivity in the cathode materials, leading to a substantial electrochemically inactive interior volume. Herein, we achieved the fast solid-state diffusion of Mg2+ by constructing an ordered shell-to-core built-in electric field (BEF) via orientated MoS2/MoO2 coaxial heterojunction nanotube arrays, giving rise to high capacity even at low temperatures. Benefiting from the easy transport and deep intercalation depth of Mg2+, the obtained cathode delivered an outstanding rate performance (312 mAh g–1 at 0.05 A g–1 and 115 mAh g–1 at 5 A g–1) and long-term durability with an average fade of 0.0025% per cycle over 4000 cycles. Impressively, a capacity of 150 mAh g–1 was still retained at 0.05 A g–1 even at −20 °C because of the maintained largely promoted Mg2+ diffusivity of 10–10 cm2 s–1 at this low temperature, which is promising but rarely reported for RMBs.
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高影响因子
Nature Communications
·
2026
·
IF 18.1
Hong Xufeng,Wang Xizhe,Harris Stephen J.,Zhao Hongbo,Meng Jiashen,Jia Qingshan,Zhao Qianchuan,Xu Kang,Pang Quanquan,Jiang Benben
Designing electrolyte materials for high-energy lithium metal batteries requires navigating vast, discrete chemical spaces, where intricate interphasial and electrolyte chemistries render component interactions largely unclear. Traditional trial-and-error methods struggle with discontinuous electrolyte-performance relationships and inefficient adaptation to new molecular candidates, hindering discovery. Here, we propose a two-stage deep active learning framework with knowledge transfer for rapid electrolyte design. In stage one, deep active learning with deep kernel learning selects informative experiments and models discontinuous relationships between formulation and performance, improving sample efficiency and reducing experimental cost. In stage two, target statistic coding quantifies what was learned and transfers it to new design settings, such as expanded formulation spaces and newly introduced components, using only a small number of additional measurements. Using this framework, we found electrolytes that increase the average lifetime of lithium metal symmetric cells by threefold after three learning iterations, and we rapidly identified improved formulations for Li 0 | |LiNi 0.8 Co 0.1 Mn 0.1 O 2 full cells in expanded chemical spaces. This work provides an experiment-driven, sample-efficient route to explore complex electrolyte formulation spaces and quantify inter-component correlations, as well as a realistic, high-cost, small-data benchmark for probabilistic surrogate modeling and sequential decision-making in discrete chemical spaces.
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高影响因子
ACS Applied Energy Materials
·
2026
·
IF 5.5
Bai Xue,Longjie Zhou,Xianghua Zhang,Hongli Ma,Bo Fan
Hybrid lithium–sulfur batteries utilizing a sulfide solid electrolyte separator exhibit high specific capacity and excellent redox kinetics. Moreover, the sulfide separator can block material exchange between the cathode and anode, eliminating shuttle effect occurrence and enhancing battery cycling stability. However, the long-term cycling stability of these hybrid batteries is still compromised due to the gradual release of soluble thiophosphate from the sulfide separator. Here, we minimized the release of the leachate from the separator through the implementation of a soaking treatment of the separator in an ether solution of lithium salt prior to battery assembly. Consequently, reducing the release of the leachate inhibits the growth of lithium dendrites on the anode, thereby lowering the risk of battery short-circuits. It also suppresses the formation of a passivation layer on the cathode associated with redox products of the leachate, thus ensuring rapid redox kinetics of the cathode. Benefited from this presoaked sulfide separator, the hybrid lithium–sulfur batteries maintained a high discharge capacity of 810 mA·h·g–1 and a high secondary discharge plateau voltage of 2.04 V after 500 cycles.
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高影响因子
Scientific Reports
·
2026
·
IF 4.9
Wu Haotian,Liu Xianzheng,Jamadon Nashrah Hani,Li Feng,Tang Rongji,Zheng Liancheng
Amorphous carbon exhibits low initial coulombic efficiency due to its high specific surface area, abundant functional groups, and structural defects, limiting its application in sodium-ion batteries. The development of anode pre-sodiation reagents has diversified and achieved significant progress, yet research on the impact of reagent concentration on electrode electrochemical performance remains an unexplored area. This study systematically investigated the influence of pre-sodiation concentration on the electrochemical performance of porous carbon electrodes by subjecting them to chemical pre-sodiation treatment using sodium biphenyl solutions of varying concentrations. The results indicate that pre-sodiation treatment significantly enhances the electrode initial coulombic efficiency and cycling stability. When the pre-sodiation level is controlled to yield an initial coulombic efficiency below 100%, the electrode sodium storage capacity is promoted; however, when the initial coulombic efficiency exceeds 100%, the capacity is instead suppressed. In summary, rationally designing the concentration of sodium biphenyl solution to maximize the benefits of pre-sodiation is crucial for enhancing the electrochemical performance of sodium-ion batteries.
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高影响因子
危险品化学品经营许可证（带存储）